smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)s1 2720066 ZLEWAFCTGGQZDL-UHFFFAOYSA-N 476.565 2.934 5 40 JFBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 8968948 WONQTOWVPWJVQJ-WKVINZIJSA-N 460.490 2.951 5 40 JFBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C1=O)N1CCc2ccccc2C1 409385139 HSOMEOYUBDMELQ-IUXPMGMMSA-N 484.446 2.830 5 40 JFBB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1 17886711 SDBAWQIYLPPPNL-MYGLTJDJSA-N 461.474 2.699 5 40 JFBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Br)cc1 100814693 UMWVVMADIIPTOC-BZSNNMDCSA-N 457.284 2.893 5 40 JFBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 8710670 LFSWLTHWHCRGMK-UHFFFAOYSA-N 450.517 2.952 5 40 JFBB CC(C)(C)c1ccc(C(=O)NN2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 13856742 XJMNGBHPRIBDOA-KRWDZBQOSA-N 467.478 2.812 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 248337921 QPMCFPFDNOSRMU-BPJRARJCSA-N 476.489 2.651 5 40 JFBB CCn1c(CNC(=O)Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409153115 CQERPJACEXCAOL-UHFFFAOYSA-N 454.512 2.796 5 40 JFBB O=C1O[C@H](c2ccc(NC(=O)c3ncn[nH]3)cc2)N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 19419214 PQESLVDWESXRQI-SPJASCBJSA-N 485.254 2.914 5 40 JFBB Cc1ccc(Cn2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1 8656823 MNNODONMBQRLSO-UHFFFAOYSA-N 465.491 2.663 5 40 JFBB biogenic,in-vitro COc1ccc(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c([N+](=O)[O-])c1 9613128 PXWNEOKIXPFBKU-UHFFFAOYSA-N 499.501 2.877 5 40 JFBB COc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(OC)c1 57563253 YRPVCUZXYIWFDS-UHFFFAOYSA-N 451.483 2.921 5 40 JFBB CC(C)(C)OC(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103530067 POYPEZVXDGKWNN-VNTMZGSJSA-N 462.462 2.815 5 40 JFBB O=C1O[C@H]([C@@H]2CO[C@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C(O)=C1O 103764208 FYICWWAGVCAZSR-ZEYPLWLESA-N 469.450 2.588 5 40 JFBB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 223957382 CEGUTASJOMLLKL-GOSISDBHSA-N 479.555 2.960 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O 224104726 GEJGZYQMSSORGO-UHFFFAOYSA-N 479.555 2.962 5 40 JFBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 224275649 JRAHREUYNBSPND-UHFFFAOYSA-N 453.904 2.842 5 40 JFBB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225492741 RMEMCKQZIPFHGS-ZDUSSCGKSA-N 480.315 2.908 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 9013927 HZDWVKGWUBXHGJ-MVOHMCPASA-N 460.490 2.897 5 40 JFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 9223573 IAKFSDILBLCYBG-UHFFFAOYSA-N 487.494 2.693 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 16013214 PGDFJUILCHRCGT-BKJGLDIHSA-N 496.907 2.996 5 40 JFBB COc1ccc(C(=O)CSc2nc(-c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 9411448 SVRLKEPYQZGXGD-UHFFFAOYSA-N 493.501 2.586 5 40 JFBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 16042101 JBEVVQKBUZUCMO-FAODYONGSA-N 466.519 2.581 5 40 JFBB biogenic O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408690076 ZPDVJJXJFZEVLJ-VUEDXXQZSA-N 490.428 2.550 5 40 JFBB COCCn1cc(CCC(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 524730671 SFNBZAWGCHUNPF-PKOBYXMFSA-N 464.522 2.936 5 40 JFBB biogenic Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cn2cccn2)CC1 10234691 OUWDLYHBVQFHRG-UHFFFAOYSA-N 497.577 2.865 5 40 JFBB O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCOCCO2 13303599 QPUSOQRGUUTGCK-UHFFFAOYSA-N 494.453 2.782 5 40 JFBB O=C(COc1ccc(Br)cc1)NC(=S)NCCNc1ccc([N+](=O)[O-])cc1 16428633 XAYJDNINHHCYLL-UHFFFAOYSA-N 453.318 2.839 5 40 JFBB CCOC(=O)C1=C(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)NC(=O)N[C@H]1CC 21324715 OQUIFQPYVLVSRC-AWEZNQCLSA-N 485.463 2.644 5 40 JFBB Cc1cc(=O)c(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)nn1-c1ccccc1[N+](=O)[O-] 24395721 MPAPXTDFZUIIKK-UHFFFAOYSA-N 458.478 2.966 5 40 JFBB COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C(=O)Nc4c(C)cccc42)N2CCC[C@H]32)c(C)cc1[N+](=O)[O-] 104064547 PNDPJSJGPBXDLY-NQAQNOALSA-N 476.489 2.651 5 40 JFBB CS(=O)(=O)N(CC(=O)NCc1ccccc1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 224818011 NQMCSVGMZGWYCO-UHFFFAOYSA-N 460.556 2.663 5 40 JFBB CCCC[C@@H](C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408661090 LZBMXXKRKOBBMT-IBGZPJMESA-N 469.450 2.940 5 40 JFBB CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408978339 YVTKGWKEPFOZQC-QDMVCWPOSA-N 492.440 2.527 5 40 JFBB COc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ccc1[N+](=O)[O-] 1561639372 TXBLHTAODGEVBO-QLFBSQMISA-N 455.533 2.917 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 2660731 SYEINQOZYZJNNU-UHFFFAOYSA-N 466.450 2.835 5 40 JFBB COc1cc(/C=C2/SC(=O)N(CCN)C2=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 3308221 VNQSXYQZXPCIKZ-VCHYOVAHSA-N 493.519 2.675 5 40 JFBB O=C(COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12)Nc1cccc([N+](=O)[O-])c1 3377596 IJFSBZQISKPGSK-LAUBAEHRSA-N 459.455 2.806 5 40 JFBB O=C(COC(=O)c1ccc(F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3434949 ITXMUQZYQLUHLW-UHFFFAOYSA-N 465.440 2.819 5 40 JFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 9295541 KNCOZVPXWWUPPA-XMTZHVTGSA-N 458.471 2.636 5 40 JFBB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 9964015 UGUAKWWLNNUMNT-UHFFFAOYSA-N 465.470 2.608 5 40 JFBB Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13505403 SULXQAIVYSEYEN-JOCHJYFZSA-N 499.597 2.840 5 40 JFBB O=C(O)CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 408593704 RAWSNBREHIRKGM-OVCLIPMQSA-N 476.239 2.914 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)S(C)(=O)=O 9356046 JEYCIFXDSMYFSJ-UHFFFAOYSA-N 490.538 2.634 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(=O)NCC(C)C)S(C)(=O)=O 10369918 FPYBTLBHZQNBPS-UHFFFAOYSA-N 462.528 2.694 5 40 JFBB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12595720 HXGBXUUNIZVJET-UHFFFAOYSA-N 491.526 2.729 5 40 JFBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1 15391640 XCAMXRFEYDQRQM-UHFFFAOYSA-N 463.454 2.868 5 40 JFBB CCOCCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101097536 LKERLDLDUBRVAF-QYQHSDTDSA-N 478.505 2.895 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 103932729 FKCXLLTVIVGIAX-JYISGYRJSA-N 482.880 2.688 5 40 JFBB COc1ccc(OC)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 223324898 IONPERKVSWKZDE-AWEZNQCLSA-N 451.501 2.564 5 40 JFBB COc1cc(Br)c([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408565160 IDUGVWCVBRZUPC-OPURJYLOSA-N 462.300 2.988 5 40 JFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 8398955 NTMHRHNPHLSJJV-ZDUSSCGKSA-N 488.457 2.837 5 40 JFBB O=C(Cc1ccc2c(c1)OCCO2)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9646224 QPAXCTPUKFZVLT-UHFFFAOYSA-N 461.477 2.837 5 40 JFBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 12522148 UQERMMCIDGUEDF-UHFFFAOYSA-N 493.541 2.720 5 40 JFBB COCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C=C[C@H]21 13552938 XUGUZTCYQVFVOE-CIAFKFPVSA-N 461.474 2.699 5 40 JFBB COc1ccccc1Nc1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2 40400122 WPNUGZFCSTZONB-ZDUSSCGKSA-N 464.438 2.803 5 40 JFBB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 103518430 NUVIJMBHELZTOQ-VIRVFLBCSA-N 470.844 2.819 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC(c2nc3c(nnn3Cc3cccc(F)c3)c(=O)[nH]2)CC1 1355272 LSHWRHMSMSDPGR-UHFFFAOYSA-N 477.456 2.630 5 40 JFBB COC(=O)c1sc(NC(=O)c2ccc(NCCCO)c([N+](=O)[O-])c2)c(C(=O)OC)c1C 9636230 SIYKEYXRKLOYIV-UHFFFAOYSA-N 451.457 2.585 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689884 ZIXBSPANNYUCGF-CPLUKWAASA-N 462.418 2.868 5 40 JFBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c2=O)=N1 409034602 IBRDXJKUPGOOHL-CNSVBDKNSA-N 479.514 2.715 5 40 JFBB C[C@H]1CN(S(=O)(=O)c2cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])ccc2Cl)C[C@@H](C)O1 12557938 GIJSUUBMFFFSEM-GASCZTMLSA-N 496.973 2.888 5 40 JFBB O=C(c1csc(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 15544234 TXDSVDZPYRYHEN-UHFFFAOYSA-N 458.521 2.865 5 40 JFBB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3373167 CQUJTSSHRXHGDN-XYBNCVKDSA-N 497.913 2.736 5 40 JFBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 8997389 WFFKNPQFKHTWGX-UHFFFAOYSA-N 460.874 2.956 5 40 JFBB COCC(=O)N(C)[C@@H](c1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccc(Br)cc1 9280233 JZHLEDWCMKNFBL-KRWDZBQOSA-N 461.276 2.527 5 40 JFBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1 101159117 VZWDLADTSKJXFR-MRXNPFEDSA-N 463.925 2.891 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)CCc1ccccc1 101176709 NIJWJUAKTXPCBC-COOPMVRXSA-N 474.517 2.532 5 40 JFBB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC(C)(C)OC2=O)[C@@H]2c3ccccc3C=NN12 2343326 GIDAGIUFPCNPEY-AQNXPRMDSA-N 463.446 2.863 5 40 JFBB O=C(CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)Nc1ccccc1C(=O)NC1CC1 16637997 WBVFQVSITGEZDY-UHFFFAOYSA-N 457.918 2.901 5 40 JFBB CCOCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101144084 BKHFVIVEHOGHFH-UHFFFAOYSA-N 489.576 2.845 5 40 JFBB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225492708 RMEMCKQZIPFHGS-CYBMUJFWSA-N 480.315 2.908 5 40 JFBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@@H]2C=CC=NN21 230010341 KKMKPPZWRNPUAM-KANFNMMFSA-N 450.838 2.845 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21 248332742 JDYKBEHBYKZQFT-GFTAFNIFSA-N 460.490 2.951 5 40 JFBB Cc1c(F)cccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409125118 MPCBIFIBLGDPRG-UHFFFAOYSA-N 458.475 2.832 5 40 JFBB O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(S(=O)(=O)N2CCOCC2)c1 14309105 SARWBELLKOBEIW-MRXNPFEDSA-N 471.539 2.876 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 104089004 GABKCMHSHTWCJJ-QTDDQOEGSA-N 460.490 2.897 5 40 JFBB COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9778015 ZENGKRUANDZJJS-UHFFFAOYSA-N 467.931 2.974 5 40 JFBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1[N+](=O)[O-] 16693007 IXXOMWVFQPRZGK-UHFFFAOYSA-N 461.525 2.953 5 40 JFBB COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 57327943 HYPFDWSOUOIFST-UHFFFAOYSA-N 458.496 2.653 5 40 JFBB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1cccc([N+](=O)[O-])c1 96521111 OIQQQLDMAWVEDW-VHSXEESVSA-N 464.075 2.547 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 101478372 XUGUZTCYQVFVOE-KJJMTIBFSA-N 461.474 2.699 5 40 JFBB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223043383 GTTDXOYXQVZUKM-HXUWFJFHSA-N 490.582 2.531 5 40 JFBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 139111231 BBGDERVJZGPIRB-GFCCVEGCSA-N 477.857 2.800 5 40 JFBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 260836388 OWBUHBINJYDNGO-PBHICJAKSA-N 493.538 2.797 5 40 JFBB NC1=Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1)OCCCO4 12507760 KSIDAPDEVSBEKF-INIZCTEOSA-N 459.260 2.965 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 12630923 UXOKJMMRHJIJJQ-UHFFFAOYSA-N 452.445 2.794 5 40 JFBB COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 32930032 SPHRKYMRCWDDGR-UHFFFAOYSA-N 493.513 2.629 5 40 JFBB COc1cccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 223526150 FWRIQSHNXBRTOU-UHFFFAOYSA-N 485.518 2.994 5 40 JFBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](NCC(=O)c1ccccc1)C(Cl)(Cl)Cl 13230700 WOLBWADAJGTVBT-HNNXBMFYSA-N 478.720 2.995 5 40 JFBB Cn1c(=O)sc2cc(NC(=O)CCCN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225063635 LIVYHZDSBQNFAD-UHFFFAOYSA-N 464.525 2.693 5 40 JFBB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9664334 OEHVNFVPPZQKER-OAHLLOKOSA-N 463.512 2.584 5 40 JFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ncc(Cl)cc1Cl 12536409 XKPQUXUOZFTXAD-UHFFFAOYSA-N 455.254 2.929 5 40 JFBB Cc1cc(=O)c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)nn1-c1ccccc1[N+](=O)[O-] 16785531 TYOUMDFCRDTDCZ-UHFFFAOYSA-N 461.478 2.940 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]21 36322248 XAGOVIIYDMIJNK-AFYVEPGGSA-N 453.426 2.578 5 40 JFBB CC(C)OCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 100756332 OCNGMEOYGXLDBY-UHFFFAOYSA-N 489.532 2.602 5 40 JFBB biogenic COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@H]3CCCO3)c2=N)cc1 101098076 YELWJEYWIQAULE-HXUWFJFHSA-N 487.560 2.597 5 40 JFBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9613495 WBTOMTSTZPVVFI-UHFFFAOYSA-N 489.535 2.941 5 40 JFBB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10040230 DYIQCNDSSOUHAI-UHFFFAOYSA-N 477.473 2.905 5 40 JFBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 26228414 NUAYXRUCQXGZSU-UHFFFAOYSA-N 467.931 2.916 5 40 JFBB Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1C 107595694 MLLKZRMVXGKLIX-UHFFFAOYSA-N 454.527 2.776 5 40 JFBB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C 409128291 HYINVJKTKLFWGD-GFCCVEGCSA-N 456.484 2.651 5 40 JFBB O=[N+]([O-])c1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(S(=O)(=O)N2CCOCC2)c1 14309106 SARWBELLKOBEIW-INIZCTEOSA-N 471.539 2.876 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 106014464 OUHKGQMISZFWAN-PGTSUSQTSA-N 498.495 2.777 5 40 JFBB N=c1c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 100944307 GZNUIYWYUQHOBD-UHFFFAOYSA-N 450.451 2.742 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc2c(c1)OCO2 101176469 SKJIPLVPXLCZFI-QYQHSDTDSA-N 474.473 2.877 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408682862 KBNNIUOHXAEFTM-RTBURBONSA-N 478.417 2.694 5 40 JFBB Cn1cnnc1Sc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1[N+](=O)[O-] 9670252 KTHSTBAWRDBTTL-UHFFFAOYSA-N 454.468 2.765 5 40 JFBB Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)CC2)c1 13563301 KBNSLODYOJYAAA-UHFFFAOYSA-N 486.594 2.961 5 40 JFBB COc1ccc(CCn2c(=O)c3cccnc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1OC 13593065 HTCSTFICXKMKPR-UHFFFAOYSA-N 462.462 2.775 5 40 JFBB O=C(NC(=S)Nc1ccc(I)cn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16430028 ATFPWOMYCQBMNS-UHFFFAOYSA-N 473.208 2.629 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(C[C@H]4CCCO4)c3nc12 101126025 YFDZZKHYUKSLGT-GOSISDBHSA-N 461.497 2.685 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408688953 XGYSWONIAVIPCX-VUEDXXQZSA-N 490.428 2.550 5 40 JFBB C[C@@H](OC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 19353080 HFLHKEZWYSBCQL-LLVKDONJSA-N 455.358 2.905 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408676132 ADNSRBMCJMOAOL-QDGJQWLKSA-N 475.457 2.651 5 40 JFBB CCCCN(C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1c(N)n(CCCC)c(=O)[nH]c1=O 12523039 KVRPCKOOZSFEOW-UHFFFAOYSA-N 458.519 2.848 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 12825330 DQNUTDRXMOGVKG-UHFFFAOYSA-N 453.524 2.730 5 40 JFBB CC(C)(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 16038611 POYPEZVXDGKWNN-NMLBUPMWSA-N 462.462 2.815 5 40 JFBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3N3CCOCC3)C2=O)CC1 409356628 GSOKJPDFYCPDML-UYRXBGFRSA-N 474.539 2.726 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9422885 XSLPSLPSPPJQQY-QZUCXDRTSA-N 473.485 2.842 5 40 JFBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc([N+](=O)[O-])c1 9597110 XZJQRDLQFVMCOQ-UHFFFAOYSA-N 482.199 2.848 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 16009675 NUVIJMBHELZTOQ-BREDGVMVSA-N 470.844 2.819 5 40 JFBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20153133 VYWJFXGNMSYKJL-UHFFFAOYSA-N 494.913 2.918 5 40 JFBB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 408542172 HTHRNQBTUCEINM-UHFFFAOYSA-N 485.501 2.652 5 40 JFBB COCCn1cc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 888090675 NPSFEJFNWDHFNX-AEFFLSMTSA-N 450.495 2.546 5 40 JFBB CCS(=O)(=O)[C@](Br)(I)[C@@H](O)c1ccc([N+](=O)[O-])cc1 96521096 XBEXWBIFUJBWES-VHSXEESVSA-N 464.075 2.547 5 40 JFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408653811 FXDRYIHDGWBHDR-MFRYECHYSA-N 463.446 2.926 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408690072 ZPDVJJXJFZEVLJ-LATRNWQMSA-N 490.428 2.550 5 40 JFBB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c(C)c1 21357142 QHCSPHJPJSUZBT-UHFFFAOYSA-N 453.543 2.983 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3c1ccc(C)c3C)N1CCC[C@H]21 96402894 JCGUMOXBJODQDW-YASKCIBGSA-N 460.490 2.951 5 40 JFBB N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1Cl 101253595 XQVZMPCWYAKSGM-INIZCTEOSA-N 463.925 2.739 5 40 JFBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cccc1[N+](=O)[O-] 408588169 CTEPPVOMPMDIAX-UHFFFAOYSA-N 469.903 2.595 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1cccc(OC)c1 11690764 YMHUVQSGFWURKQ-WEMUOSSPSA-N 490.516 2.530 5 40 JFBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccccc4OC)c(=O)c3cc2c1=O 40399116 XKHZMRRUIDOWJO-UHFFFAOYSA-N 485.500 2.966 5 40 JFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(F)cc3)[nH]c(=O)c21 40399738 OGJXFDBDVMBBNM-ZDUSSCGKSA-N 468.401 2.634 5 40 JFBB COC(=O)Cn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc3c(cc21)OCCO3 101035387 LTIKLOBKDYKDPJ-VZCXRCSSSA-N 463.855 2.950 5 40 JFBB CC(C)(C)OC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229617871 POYPEZVXDGKWNN-YRPNKDGESA-N 462.462 2.815 5 40 JFBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCc2ccccc21 2650638 YYJOADFXVLWBCU-LJQANCHMSA-N 471.535 2.969 5 40 JFBB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=C(C)c3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 18085635 ZNGPEONHMCJKKE-MYGLTJDJSA-N 461.474 2.699 5 40 JFBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408672397 WJDCKFAHMPCIRF-KRWDZBQOSA-N 483.477 2.942 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1ccccc1 8661103 FKSQARFKTMNTKH-XJPPPLFUSA-N 472.501 2.746 5 40 JFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9242533 SAEDGDGIBNELAE-MVOHMCPASA-N 460.490 2.951 5 40 JFBB Cc1ccc(-c2csc(NC(=O)COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 9883803 YPOHALUHVXNREP-UHFFFAOYSA-N 480.458 2.805 5 40 JFBB O=C(NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21)c1ccc(C(F)(F)F)cc1 12072001 QXHFMHNTWVVPMC-UHFFFAOYSA-N 486.410 2.998 5 40 JFBB O=C([C@@H]1CN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc2O1)N1CCOCC1 13019393 RCMRFMPPFPABAR-SFHVURJKSA-N 476.283 2.624 5 40 JFBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCc2ccccc2C1 16976015 XEKJPRUSZKNHCG-UHFFFAOYSA-N 470.507 2.874 5 40 JFBB CCN1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(OC)cc4)C(=O)N=C3O)[C@@H]2C1 36316840 MBWTUNSTIINXQH-GBXCKJPGSA-N 479.493 2.780 5 40 JFBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCOCC4)C3=O)o2)c([N+](=O)[O-])c1 214298337 ZLDZTDVVSJFSSF-WOJGMQOQSA-N 473.463 2.759 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408689220 XYLVJJHUTQPNSW-OALUTQOASA-N 480.433 2.918 5 40 JFBB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524730664 RUUXLKARXRXSPK-DOTOQJQBSA-N 479.489 2.758 5 40 JFBB biogenic COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3CCC[C@@H]3[C@@H]2C1=O 9487766 MAJKJAPXJXDIHT-NMLACTOBSA-N 453.426 2.578 5 40 JFBB O=C(NCCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22229419 ZCMVBOGDPCYMMF-UHFFFAOYSA-N 474.539 2.503 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[nH]c(=O)c21 40388718 MYMNLYOUHPIQMY-SLEUVZQESA-N 454.487 2.533 5 40 JFBB CCN1CCN(c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c(C)c2)CC1 62417808 HARSRIZFRGYTSJ-UHFFFAOYSA-N 489.598 2.810 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408659150 VRYMGGFKVMQDEN-OALUTQOASA-N 480.433 2.918 5 40 JFBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408689460 YFHFTOBSPGHQAH-IBZMOEQTSA-N 492.444 2.940 5 40 JFBB Cc1cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1-c1nccs1 13014162 WRATZNPMZAOALV-UHFFFAOYSA-N 482.474 2.871 5 40 JFBB Cc1c(N2C(=O)[C@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 18167484 HXHJKSAGDAVPCL-SCYDXJQRSA-N 466.881 2.988 5 40 JFBB O=C(NC1CCN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)CC1)c1ccc(F)cc1 25214540 JBMGXWVYUUOCOJ-UHFFFAOYSA-N 470.457 2.843 5 40 JFBB C[C@@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 9703985 NRAIKDIGDCVUEV-CRAIPNDOSA-N 467.519 2.609 5 40 JFBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 22569101 JZULLYPAGQEVSZ-UHFFFAOYSA-N 461.525 2.953 5 40 JFBB C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 26634251 LQWPVFBTHDUFSC-MRXNPFEDSA-N 450.499 2.546 5 40 JFBB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223089562 KYXGSMYNVWNFFT-FQEVSTJZSA-N 490.582 2.531 5 40 JFBB COCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 101092148 TUSKSQCTUJXORG-UHFFFAOYSA-N 451.914 2.749 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC(C)C)/c1=N/C(=O)c1ccncc1 102920800 MQVZIEUJXMZFMD-BYNJWEBRSA-N 489.532 2.777 5 40 JFBB COC(=O)c1ccc(OC[C@@H](O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12558295 FYCZNUIYKLGEBL-KRWDZBQOSA-N 483.443 2.962 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 15996425 ZMTLKOZTVDKFKY-GGMMCWFTSA-N 496.907 2.996 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390747 AREOKHDJMIYVCC-QGZVFWFLSA-N 474.477 2.614 5 40 JFBB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225004183 UITMHQDVIJVMRW-MRXNPFEDSA-N 459.499 2.934 5 40 JFBB C[C@H](OC(=O)C1(CC(=O)N2CCOCC2)CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12915907 UNTXDMKQWQAHJX-AWEZNQCLSA-N 467.906 2.928 5 40 JFBB O=c1c(C(c2ccccc2[N+](=O)[O-])c2c(O)[nH]c3ncccc3c2=O)c(O)[nH]c2ncccc12 16449452 VJYIXBOMMZAICC-UHFFFAOYSA-N 457.402 2.659 5 40 JFBB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)n1 30755223 RXJHFLPIVIUKPM-UHFFFAOYSA-N 463.497 2.603 5 40 JFBB COCCCNC(=O)CN(C)c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 9968782 ONIIXMSMYXSDAG-UHFFFAOYSA-N 464.544 2.601 5 40 JFBB CCOCCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101164048 FNYREEPEHCPALT-QLYXXIJNSA-N 464.478 2.587 5 40 JFBB CCN(C(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 12541794 NRFUVKRCAHSYRB-AWEZNQCLSA-N 499.592 2.703 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 16033577 QKUMKBUHFLUBPJ-FXKZBUDASA-N 466.881 2.988 5 40 JFBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)c1ccc(CNC(C)=O)s1 23274428 FSIRPSKKKNWIIX-QGZVFWFLSA-N 493.563 2.570 5 40 JFBB O=C(NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O)c1ccccc1[N+](=O)[O-] 100039561 RWVFSCCSCRPZGV-UHFFFAOYSA-N 451.307 2.505 5 40 JFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 103769253 KZYCPWSVXQWNHE-NVXWUHKLSA-N 457.240 2.681 5 40 JFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 103769437 RRXAHMIHFBDELV-SJLPKXTDSA-N 456.842 2.854 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408690011 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Cc1cc(=O)c(C(=O)Nc2cccc(OCCn3cccn3)c2)nn1-c1ccccc1[N+](=O)[O-] 40134872 AJURKPMWMGQQLC-UHFFFAOYSA-N 460.450 2.977 5 40 JFBB CC[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225012259 LBCWDAZUJQXUHY-HXUWFJFHSA-N 462.528 2.615 5 40 JFBB CN(C)CCN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O 199425486 QVFNBAFMYQEVRN-HSZRJFAPSA-N 462.506 2.771 5 40 JFBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cccc1[N+](=O)[O-] 248133466 YEGUMIDOSIKMCP-LVBDUCALSA-N 466.881 2.988 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 2987376 QMABWHPXELFEHX-MUMAZLPKSA-N 455.517 2.768 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16000800 IDCKTJUEMAKNMI-XVIHEJCXSA-N 460.490 2.951 5 40 JFBB COc1ccc(N(CC(=O)NCCCN2CCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13674576 NHJRQKSIMGHJJX-UHFFFAOYSA-N 490.582 2.709 5 40 JFBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 16033696 FAUSJBUQIDAASR-KLSTYFJDSA-N 452.854 2.679 5 40 JFBB Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(C)c1 107823633 FZJIKIXQCCGUPJ-UHFFFAOYSA-N 454.527 2.776 5 40 JFBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)N1CCN(c2ccccc2)CC1 409205032 FOYZSLOKNLLXJF-XMHGGMMESA-N 452.492 2.980 5 40 JFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2F)n1C 9327706 CRCZYHIRODGBBW-UHFFFAOYSA-N 474.474 2.783 5 40 JFBB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 16042103 JBEVVQKBUZUCMO-QYUDBREXSA-N 466.519 2.581 5 40 JFBB biogenic CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@]21O 59410379 AIXNJADSSZEICA-WLQIYCTRSA-N 487.597 2.995 5 40 JFBB biogenic Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)ccc1[N+](=O)[O-] 107603850 NNPGWXFCGLGEJQ-UHFFFAOYSA-N 455.471 2.610 5 40 JFBB Cc1c(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 223354139 KGUCPUDSILQYBC-UHFFFAOYSA-N 461.540 2.534 5 40 JFBB CCCCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 408630907 XTXKGTRNUSZVLZ-UHFFFAOYSA-N 479.511 2.965 5 40 JFBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2)cc1[N+](=O)[O-] 408654117 JOEOHKKWLKFIAE-QGZVFWFLSA-N 496.520 2.876 5 40 JFBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408658521 VBGJYHPKTHSEEI-GPHNJDIKSA-N 459.458 2.950 5 40 JFBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3296879 DCBCFOPKLUCBLX-IBGZPJMESA-N 462.480 2.666 5 40 JFBB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3373164 CQUJTSSHRXHGDN-FAAWYNLUSA-N 497.913 2.736 5 40 JFBB CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21 9356797 MNSPYMWCHIEMMQ-DUHPJZPXSA-N 476.489 2.597 5 40 JFBB O=C(NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21)c1cc2ccccc2o1 12071916 AOIHAKOKEMLKHL-UHFFFAOYSA-N 458.434 2.726 5 40 JFBB COc1ccc([C@H](CNc2nc(N)c([N+](=O)[O-])c(NCc3ccco3)n2)N2CCOCC2)cc1 96347263 XPMCZTZMNSGIJR-SFHVURJKSA-N 469.502 2.666 5 40 JFBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)N1CCCN1[C@H]2c1cccc([N+](=O)[O-])c1 101863719 LUWDYAZAUCXOLP-FGTMMUONSA-N 457.284 2.893 5 40 JFBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)o1 214643026 MENSAQMVUZIFLI-WOJGMQOQSA-N 473.463 2.759 5 40 JFBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222728110 NNCHEHLOYGNFTE-KBXCAEBGSA-N 463.512 2.788 5 40 JFBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223172541 CMXVSKBIVNGROT-LJQANCHMSA-N 496.973 2.568 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2C=CC=NN12 253487517 LJLCIRYITUIGTM-HCXYKTFWSA-N 450.838 2.845 5 40 JFBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 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CC[C@H](C)c1ccc(NC(=O)COC(=O)CNS(=O)(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1 9672480 QZEZTJQDXNGJGQ-HNNXBMFYSA-N 492.554 2.635 5 40 JFBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@@H]3CCCO3)c2=N)cc1 101158608 SYKOSBVGMHBWKS-IBGZPJMESA-N 473.533 2.555 5 40 JFBB O=C1O[C@H]([C@H]2CO[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C(O)=C1O 103764197 FYICWWAGVCAZSR-JMUQELJHSA-N 469.450 2.588 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(C)c(C)c1)S(C)(=O)=O 224832179 AJSFVVFFRPQCGN-UHFFFAOYSA-N 479.555 2.962 5 40 JFBB CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225012223 LBCWDAZUJQXUHY-FQEVSTJZSA-N 462.528 2.615 5 40 JFBB O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 56959512 HVARJEVVLDSTMI-QHCPKHFHSA-N 474.521 2.608 5 40 JFBB COCCn1c(Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nc2ccccc2c1=O 9315363 IBAMSFSYWMIVIF-UHFFFAOYSA-N 490.563 2.887 5 40 JFBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)c1 16520178 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O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9905285 XMBBTDXSKLNFTH-UHFFFAOYSA-N 494.595 2.598 5 40 JFBB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@H]3c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 15109232 PRXCPTUARXHKHX-QHCPKHFHSA-N 490.472 2.771 5 40 JFBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260918018 SGTRLGYKLTXRLP-MSOLQXFVSA-N 490.582 2.693 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408679402 DWRSBLKPAJTCAN-LATRNWQMSA-N 490.428 2.550 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408685966 QQGXTXBFYNGXGA-HZVDNRATSA-N 462.418 2.868 5 40 JFBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCN1CCOCC1 8792227 IYRHSWAOHIYAIM-QGZVFWFLSA-N 470.529 2.808 5 40 JFBB biogenic CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 9884012 NPMUNJQVMUYXNA-GOSISDBHSA-N 469.903 2.733 5 40 JFBB CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(OC)cc1 20485521 IKEMHOGEXQSINJ-KRWDZBQOSA-N 451.501 2.646 5 40 JFBB O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOc1ccc([N+](=O)[O-])cc1OCCOCCO2 27439618 HUEHVPNKLNTJSZ-UHFFFAOYSA-N 494.453 2.782 5 40 JFBB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29851790 KTHGUWFIPREMKC-LBPRGKRZSA-N 478.431 2.932 5 40 JFBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399252 RZEJLUNRDPUVSH-AWEZNQCLSA-N 464.438 2.885 5 40 JFBB O=[N+]([O-])c1ccc(NCC2CCN(Cc3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1 60082143 CKHOEDABNXUHQJ-UHFFFAOYSA-N 474.583 2.940 5 40 JFBB COc1ccc(-c2nc(CN3CCN(c4ccc(S(N)(=O)=O)cc4[N+](=O)[O-])CC3)cs2)cc1 62273531 UPZVWZGWYWTKFG-UHFFFAOYSA-N 489.579 2.697 5 40 JFBB CCc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1 102782193 PSGOFQVCFAYQCT-MYLOEWHJSA-N 478.505 2.965 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2F)n1C 409341916 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COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3356076 OAAIJIBRDMYZSV-UHFFFAOYSA-N 466.372 2.987 5 40 JFBB CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(OC)cc1 6547766 HGNDKXRZYKEVKV-SFHVURJKSA-N 473.482 2.621 5 40 JFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 9295540 KNCOZVPXWWUPPA-HRNUACCPSA-N 458.471 2.636 5 40 JFBB O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9583404 RSMJWKHMQCQJQT-UHFFFAOYSA-N 455.492 2.660 5 40 JFBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)N4CCN(C)CC4)nc2c31 20759042 VXDCGCKJKFHDPN-UHFFFAOYSA-N 456.502 2.997 5 40 JFBB biogenic COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 33688499 JKVBXPAQIQGZPG-IJUKNHKESA-N 476.489 2.651 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccncc1 103001572 CZUXVLGBCZGWJQ-SLMZUGIISA-N 469.457 2.603 5 40 JFBB CCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 138757783 FLVMYMRTBJAXIA-INIZCTEOSA-N 469.450 2.615 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3O)c2=O)=N[C@@H]1c1cccc([N+](=O)[O-])c1 409330424 AAVFVNFDTJHWER-JKALPCAWSA-N 465.487 2.521 5 40 JFBB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCCN21 2194941 PHUVHVWSULCPLS-HOKASXAUSA-N 476.489 2.597 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)Nc1ccc(Cl)cc1)N1N=CC=C[C@H]21 9353174 GBIOFEHIBBVMID-WTGUMLROSA-N 479.880 2.909 5 40 JFBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NCC(=O)OCc1cccc([N+](=O)[O-])c1 10041692 WOGXJPBWOFOQRE-UHFFFAOYSA-N 461.474 2.703 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 16001881 PNDPJSJGPBXDLY-LJZUKVSMSA-N 476.489 2.651 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@H]2C1=O 247815505 CONYIHALNVAMEH-AVDZWTPASA-N 496.907 2.996 5 40 JFBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC3CCN(CC(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1 40122903 OMKDCQHGKMXQIT-SFHVURJKSA-N 493.630 2.514 5 40 JFBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40388636 KMQAIFOVOBWNFB-ZOWXZIJZSA-N 454.487 2.533 5 40 JFBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1[N+](=O)[O-] 409338211 FUMIAJYNHNHQBI-WEVVVXLNSA-N 474.407 2.951 5 40 JFBB O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@@H](c1ccc(Br)cc1)N1CCCN21 19171439 UMWVVMADIIPTOC-KURKYZTESA-N 457.284 2.893 5 40 JFBB COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103459907 ZNGPEONHMCJKKE-CIAFKFPVSA-N 461.474 2.699 5 40 JFBB C[C@@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224509307 URNIZEWNDUDWGU-KRWDZBQOSA-N 460.556 2.662 5 40 JFBB COc1ccc(C(=O)N2[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N[C@H]3CCCC[C@H]32)cc1 2432904 YWTRZYMWVKTWQR-HBMCJLEFSA-N 466.494 2.884 5 40 JFBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 13856717 UGRWBBIRKQTWGL-CYBMUJFWSA-N 480.260 2.821 5 40 JFBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Br)cc1 100814698 UMWVVMADIIPTOC-KSZLIROESA-N 457.284 2.893 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 104072190 NTYYQZXCVKCKOM-KJMYGEOBSA-N 482.880 2.688 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 408682611 JVDPKMLGZSWJIL-ROUUACIJSA-N 463.446 2.795 5 40 JFBB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2ccc(F)cc2[N+](=O)[O-])C1=O 8634764 IYJMHQVXALXGMV-GOSISDBHSA-N 465.235 2.902 5 40 JFBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(=O)N(C)C)c1C 13148496 UJXBYFOYKNSQKK-UHFFFAOYSA-N 493.494 2.647 5 40 JFBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN1CCOCC1)[C@H]3c1cccc([N+](=O)[O-])c1 20308330 GOILOIMUSLZPRJ-QFIPXVFZSA-N 479.489 2.977 5 40 JFBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 59416432 PNTQQEHYYGHBQV-RDJZCZTQSA-N 457.240 2.681 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C=C[C@H]21 103459632 XUGUZTCYQVFVOE-GXRSIYKFSA-N 461.474 2.699 5 40 JFBB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12595260 ZHZJYOHKIRUNIR-UHFFFAOYSA-N 491.526 2.729 5 40 JFBB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 16785310 KZXJMYIXSWPTAK-UHFFFAOYSA-N 485.566 2.962 5 40 JFBB COCCn1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19594019 PQQBNLLQEJARAX-HSZRJFAPSA-N 474.525 2.688 5 40 JFBB COc1ccc(Br)c(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 25022385 PXIULWAYGPWTKU-UHFFFAOYSA-N 478.299 2.872 5 40 JFBB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4cccc([N+](=O)[O-])c4)n3n2)c1 9569113 ZERDGGXZBSTALQ-UHFFFAOYSA-N 450.480 2.972 5 40 JFBB NC(=O)C1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 36666278 PLUKWZNRCYPMET-MRXNPFEDSA-N 468.495 2.951 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408682610 JVDPKMLGZSWJIL-QZTJIDSGSA-N 463.446 2.795 5 40 JFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccccc1OC(F)F 9284640 JEKNKHYFCKTKRE-UHFFFAOYSA-N 451.382 2.828 5 40 JFBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 408530333 KHLQHQHQTUDSEX-NVMNQCDNSA-N 481.490 2.769 5 40 JFBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c([N+](=O)[O-])c1 8670425 AGUGPKUQSAPRGB-UHFFFAOYSA-N 484.328 2.655 5 40 JFBB aggregator O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc2c(c1)OCCO2 107838963 ULVATOIJRGOOQX-UHFFFAOYSA-N 462.915 2.856 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408685420 PKNHXSMEYPCODO-IAGOWNOFSA-N 478.417 2.694 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9287106 JDYKBEHBYKZQFT-KYCQWFEFSA-N 460.490 2.951 5 40 JFBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1NC[C@H]1CCCO1 9720902 ADRRZYYCPALSOQ-QGZVFWFLSA-N 491.526 2.605 5 40 JFBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c2nonc12 15162780 ODCCWUMMJORDBO-UHFFFAOYSA-N 457.390 2.661 5 40 JFBB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 138294365 OSXRWMXBRLBNAM-MANSERQUSA-N 465.853 2.601 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc(CN2CCCC2)c1)S(C)(=O)=O 224630478 TUEBITTYORADQH-SFHVURJKSA-N 474.583 2.970 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc([N+](=O)[O-])c1 408688951 XGYSWONIAVIPCX-PBFVBANWSA-N 490.428 2.550 5 40 JFBB COC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1/C=C/c1ccccc1 8809426 RJTYTHCELVEYDB-YYYSMTHLSA-N 461.499 2.982 5 40 JFBB O=C1CN(C(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2N1 9127649 AXONCBUVIVAVAV-UHFFFAOYSA-N 452.345 2.554 5 40 JFBB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12 9358174 PPZSONNTLFUKJX-WUABMQKPSA-N 490.516 2.757 5 40 JFBB O=C(c1ccccc1)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@H]2C=CC=NN21 16038493 KKMKPPZWRNPUAM-OQIJWPOYSA-N 450.838 2.845 5 40 JFBB O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20616796 HFXHOTXMKKPKBW-UHFFFAOYSA-N 485.500 2.609 5 40 JFBB O=C(NCC1([N+](=O)[O-])CN(C(=O)c2ccccc2)CN(C(=O)c2ccccc2)C1)c1ccccc1 8767906 XIYZCPNYDNYQDE-UHFFFAOYSA-N 472.501 2.688 5 40 JFBB CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 14944807 GMYYKMJKKIUFBV-GJZUVCINSA-N 491.548 2.659 5 40 JFBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)[C@@H]1c1ccccc1[N+](=O)[O-] 19923905 FGPHSXSSHGOMEB-LJQANCHMSA-N 450.513 2.925 5 40 JFBB CCOC(=O)C1=C(CN2CCN(c3ccc(C)cc3)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286433 OTEIZQIZXIBBGM-QHCPKHFHSA-N 479.537 2.897 5 40 JFBB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21 2432127 VMUQMFUXIVMSOG-ZDQHKECQSA-N 460.490 2.897 5 40 JFBB CC(C)(C)OC(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 9428473 POYPEZVXDGKWNN-IYWMVGAKSA-N 462.462 2.815 5 40 JFBB Cc1sc2nc(Sc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])n(C)c(=O)c2c1C 9493773 GOQQLRGCQMUWTE-UHFFFAOYSA-N 496.592 2.692 5 40 JFBB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408666278 HAGBVEDCYXVAQH-MRXNPFEDSA-N 499.476 2.705 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1 408732613 SNALVIRHERMPKL-JCAJYURWSA-N 495.513 2.530 5 40 JFBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cc(C)on1 13056514 BXXNLXKSVWTHLO-AWEZNQCLSA-N 470.891 2.578 5 40 JFBB O=C(O)[C@H](CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100044657 BWXMKHIUCXHRIC-NSHDSACASA-N 453.345 2.977 5 40 JFBB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1)c1ccccc1[N+](=O)[O-] 104183409 PSNJHZNWYZORED-IRXDYDNUSA-N 494.529 2.817 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102552708 XJYXYMPDDXSKRB-KKBCGBJISA-N 498.495 2.771 5 40 JFBB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2C=CC=NN12 103560662 XTRWWDOKPMGOLL-HCXYKTFWSA-N 465.853 2.601 5 40 JFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 248336800 PBVSOIVDCRGCAE-YRAONVGVSA-N 466.881 2.988 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408642174 DRYFBUQMBKUWFB-BGYRXZFFSA-N 463.446 2.795 5 40 JFBB CCNC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])CC1 84791056 ULTVHAHAZWNUJO-UHFFFAOYSA-N 467.935 2.901 5 40 JFBB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408654651 KSPHZVFOUWKNHQ-INIZCTEOSA-N 469.450 2.695 5 40 JFBB CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 6232910 XWNBYCLNUZWIKB-UGKGYDQZSA-N 467.503 2.555 5 40 JFBB 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Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[nH]c(=O)c32)cc1[N+](=O)[O-] 223051188 KMQAIFOVOBWNFB-LALPHHSUSA-N 454.487 2.533 5 40 JFBB COc1ccc(CCNC(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)cc1OC 199427851 JEEKEWCNPDIXBZ-JOCHJYFZSA-N 465.462 2.557 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c1 408658769 IVYHHYYEKTWNBD-KDIGXEEGSA-N 491.456 2.710 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 9867614 INNNIOCOLPHUOM-UHFFFAOYSA-N 466.947 2.815 5 40 JFBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl 12523730 OWXCZTVZJXKGDK-CYBMUJFWSA-N 451.698 2.707 5 40 JFBB CCCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 18217962 ZEQMMMKSNUKTAP-LJQANCHMSA-N 453.499 2.669 5 40 JFBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(Cc2csc3ccccc23)CC1 40013335 AZSOOVJIUHDWEP-UHFFFAOYSA-N 464.503 2.750 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408685643 PQJZYJKEZAUIKM-OALUTQOASA-N 480.433 2.918 5 40 JFBB O=C(COC(=O)c1ccc[n+]([O-])c1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9562064 CDJUOYCXIPSIMX-UHFFFAOYSA-N 475.049 2.549 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1Br 25387782 QMVCOVPSTBBWEJ-AWEZNQCLSA-N 476.283 2.888 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21 35855372 UHVFHSHMKTYUAX-MASGSYHESA-N 476.489 2.597 5 40 JFBB O=C(CSc1nncn1-c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 58225338 TXBJPHNAUPZDFU-UHFFFAOYSA-N 459.919 2.665 5 40 JFBB CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc([N+](=O)[O-])c1 408630611 VTOAIWZIUUDJHT-UHFFFAOYSA-N 486.472 2.728 5 40 JFBB COC(=O)CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408738257 QWIKLZLWIXGKGE-JOCHJYFZSA-N 475.501 2.743 5 40 JFBB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1OC 9518646 OHTOYZMSTWFOBK-UHFFFAOYSA-N 487.494 2.964 5 40 JFBB COc1ccc(CNC(=O)Cn2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])o2)CSC3)cc1 23139561 SRKNLODDPVOSIU-UHFFFAOYSA-N 457.468 2.708 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 103458736 JKWZQGHMTWIUEM-GXRSIYKFSA-N 461.474 2.699 5 40 JFBB Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(-c4cccc([N+](=O)[O-])c4)cn23)n(C)c1=O 9126748 KGYQHMYZBCBMCJ-UHFFFAOYSA-N 450.842 2.904 5 40 JFBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256358 OSUZRCMKDAJNER-UHFFFAOYSA-N 482.863 2.874 5 40 JFBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 12311645 NYQKTECCTJHQKD-UHFFFAOYSA-N 494.576 2.956 5 40 JFBB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]12 16009614 QBUOBADNLLMEEU-JYISGYRJSA-N 466.519 2.581 5 40 JFBB CSc1nsc(SC)c1C(=O)NCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 18195423 PMPLIWLDCPLCPX-UHFFFAOYSA-N 462.600 2.512 5 40 JFBB CC[C@H](c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1CCN1CCOCC1)N(C)C 23867046 DOCZZVDZINQWIU-LJQANCHMSA-N 491.618 2.570 5 40 JFBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256393 YPDCUEHXAYJYLE-TWGQIWQCSA-N 474.456 2.620 5 40 JFBB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)C1 12466979 MGINJRBRKKRUDY-KXBFYZLASA-N 475.885 2.636 5 40 JFBB CCN(C(=O)COC(=O)c1ccc(Sc2nc(C)cs2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 12541792 NRFUVKRCAHSYRB-CQSZACIVSA-N 499.592 2.703 5 40 JFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16000867 PBVSOIVDCRGCAE-QYUDBREXSA-N 466.881 2.988 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C[C@@H]2CCCO2)/c1=N/C(=O)c1ccco1 102919790 OCXPZYWCGYISNQ-KAAJHJJKSA-N 476.489 2.647 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 408687984 VKYGEXQKJGVVQX-LATRNWQMSA-N 463.421 2.781 5 40 JFBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 3456595 CQRINDKDSSDVNM-UHFFFAOYSA-N 460.752 2.574 5 40 JFBB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 10211880 JKJBLQUOGRXLQQ-UHFFFAOYSA-N 461.404 2.616 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 13163436 BIYYTVSDULMHML-OAQYLSRUSA-N 477.539 2.604 5 40 JFBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 169687426 LKVDQJQXVPBMDS-FWRLEMQZSA-N 474.469 2.739 5 40 JFBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224091368 JWAQNXALYGNCKV-GOSISDBHSA-N 490.582 2.550 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 408572178 HEWBNWOHHXNBLK-UHFFFAOYSA-N 487.494 2.517 5 40 JFBB CCn1cc(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)c(C(=O)NC2CCCC2)n1 2732636 ZMNNEUQYMZDESJ-UHFFFAOYSA-N 457.413 2.646 5 40 JFBB COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 9714857 CJGLALWGZLDDAZ-UHFFFAOYSA-N 455.514 2.579 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c([N+](=O)[O-])c1 15208409 UWWOIJJYWZGGNR-UHFFFAOYSA-N 476.555 2.676 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(NCCNc3ccc4ccccc4n3)c([N+](=O)[O-])c2)CC1 48303531 GOTACPVKKAONSH-UHFFFAOYSA-N 470.555 2.603 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3c1ccc(C)c3C)N1CCC[C@H]21 96402895 JCGUMOXBJODQDW-KYCQWFEFSA-N 460.490 2.951 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 408588034 WJCKZOFIPKAXLY-UHFFFAOYSA-N 450.429 2.831 5 40 JFBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408687128 SVZXPLQGAIQUJO-IBZMOEQTSA-N 492.444 2.940 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1=O 409296852 RTUOWDCZYDFEME-OYRHEFFESA-N 490.424 2.928 5 40 JFBB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)s1 9368204 XFXAUDMFUWYRMG-UHFFFAOYSA-N 451.515 2.898 5 40 JFBB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 13757021 VUDCWJWBGVWSNU-UHFFFAOYSA-N 465.510 2.927 5 40 JFBB COc1cc(C=O)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 15277326 ICHIDNDLMYADAR-UHFFFAOYSA-N 463.205 2.788 5 40 JFBB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 104014250 RJSPVCNTWNJCJX-YTSMVRMISA-N 466.881 2.988 5 40 JFBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)n1 2779341 SRSNQARBGNJJGR-UHFFFAOYSA-N 458.412 2.655 5 40 JFBB Cc1ccc(/C=C/S(=O)(=O)NCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 3417424 SCNXVQRUZROAKA-ZHACJKMWSA-N 458.452 2.587 5 40 JFBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 9090496 TWRLOSUGBPIHFJ-PBFPGSCMSA-N 476.314 2.695 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 9332333 LULZSCZYNSTKFQ-YRXWBPOGSA-N 495.289 2.954 5 40 JFBB CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 9633854 MBECKFAJPQKBLK-NSHDSACASA-N 487.943 2.819 5 40 JFBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2)CC1 12536950 IZEHZCNEXWBJNT-UHFFFAOYSA-N 458.540 2.732 5 40 JFBB Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)c1 35500505 ORJGQUDKEVIQCX-UHFFFAOYSA-N 466.947 2.810 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 103458845 XSLPSLPSPPJQQY-PBZQEHOFSA-N 473.485 2.842 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 2987374 QMABWHPXELFEHX-QMJOVRGKSA-N 455.517 2.768 5 40 JFBB CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 3296966 RBCSOWKVUHDHSL-UHFFFAOYSA-N 480.498 2.926 5 40 JFBB aggregator CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224158401 YSKQSLYHIZDATI-NRFANRHFSA-N 490.582 2.613 5 40 JFBB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 408651801 FCRCMIQELLTIEV-INIZCTEOSA-N 469.450 2.615 5 40 JFBB CN(Cc1nnc(-c2ccccc2)o1)C(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 408714515 SNOAUPAWNPZTKP-UHFFFAOYSA-N 485.522 2.704 5 40 JFBB COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)c([N+](=O)[O-])cc1OC 2312005 DDHSMXXCOCDJBJ-UHFFFAOYSA-N 473.467 2.764 5 40 JFBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)c(F)c1)NCC(F)(F)F 16694928 PNDPDUIPJRBORW-UHFFFAOYSA-N 453.345 2.747 5 40 JFBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 57312795 ZIFYESVMMFEOEV-UHFFFAOYSA-N 467.526 2.986 5 40 JFBB O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 408853643 VUHPZFLHFYSYKQ-QGZVFWFLSA-N 452.872 2.827 5 40 JFBB COc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 12530349 WDUXUKCMJNBJAQ-UHFFFAOYSA-N 491.522 2.964 5 40 JFBB CS(=O)(=O)c1ccc(NCCNc2ncnc3c2cnn3-c2ccc(F)cc2)c([N+](=O)[O-])c1 9335636 FLITWDVIWKYSEU-UHFFFAOYSA-N 471.474 2.790 5 40 JFBB O=C(NC[C@H](c1cccnc1)N1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 9708766 UGWIMPXKVCYOOY-XMMPIXPASA-N 488.548 2.604 5 40 JFBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101110046 APBHSPXZPGXSAD-UHFFFAOYSA-N 460.538 2.577 5 40 JFBB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223128083 KVOWWJPZCAJYQJ-IBGZPJMESA-N 496.973 2.568 5 40 JFBB O=C(NCc1ccco1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 524732100 XEODHHCDQPXRAO-MXBPETCHSA-N 460.490 2.831 5 40 JFBB biogenic Cn1c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2sc3c(c2c1=O)CCCC3 13719758 WVHCCGQZNTXFAX-UHFFFAOYSA-N 453.524 2.744 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H]3CN(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 58139999 XNXGQGUHINNSQS-HXUWFJFHSA-N 473.599 2.636 5 40 JFBB COc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408592377 MHCYOUQZNRXGHJ-VIZOYTHASA-N 461.814 2.813 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408682635 JWQWGECJWYPYLT-WWLNLUSPSA-N 475.457 2.651 5 40 JFBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1)c1cccc([N+](=O)[O-])c1 9591242 LVTMPNQLDYLEJW-GFCCVEGCSA-N 480.260 2.821 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 9714620 YBQSBCXVFMWVGY-UHFFFAOYSA-N 455.496 2.998 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 12995896 ZBTRNKZSDGLVGT-UHFFFAOYSA-N 483.550 2.852 5 40 JFBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 26351495 BBYBDUFWSVPCGE-LJQANCHMSA-N 473.917 2.856 5 40 JFBB COc1cc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@H]3C2=O)c(C)cc1[N+](=O)[O-] 101075497 VAOUZQHWGAIHCX-WBVHZDCISA-N 460.240 2.967 5 40 JFBB Cc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 224145813 VXIHXLUUKMQQHR-UHFFFAOYSA-N 455.920 2.826 5 40 JFBB COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 604406335 MGAWRUHKQYRJKM-HIFRSBDPSA-N 461.478 2.513 5 40 JFBB biogenic O=C(CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)NC1CCCC1 12437459 MAQHLUPCHDIULR-UHFFFAOYSA-N 450.495 2.959 5 40 JFBB O=C(COc1ccccc1[N+](=O)[O-])N=P(c1ccccc1)(N1CCOCC1)N1CCOCC1 13302426 FWXVQQGVASZXKK-UHFFFAOYSA-N 474.454 2.521 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 35843184 JDYKBEHBYKZQFT-MVOHMCPASA-N 460.490 2.951 5 40 JFBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1 9187050 VIKGSKDCLWACFL-BDCMKYTISA-N 464.478 2.711 5 40 JFBB COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 9354698 BOJIWCIDXKLMES-UHFFFAOYSA-N 494.551 2.740 5 40 JFBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(c2ccccn2)CC1 16637193 GQROQLMGWPIGLE-SFHVURJKSA-N 477.974 2.844 5 40 JFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 20357809 LJCPYQFAQWHSSQ-QYUDBREXSA-N 466.881 2.988 5 40 JFBB Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1 34687776 QTWACZWDJHNFOY-UHFFFAOYSA-N 454.527 2.776 5 40 JFBB CCS(=O)(=O)Nc1cccc(C2=NN(S(=O)(=O)CC)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 9381004 LPJAZGFPBGQNSN-LJQANCHMSA-N 466.541 2.857 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N[C@@H](c3ccc(F)cc3)c3nccn3C)c([N+](=O)[O-])c2)CC1 17590431 QJPQFQDLGPXUTG-NRFANRHFSA-N 488.545 2.605 5 40 JFBB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@@H]1CCCN12 136059661 STZFWFBWYIPTPF-PDFGSZSQSA-N 460.490 2.749 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 409354271 BFZNMXJRWKGLKM-ZNQKWNQWSA-N 479.514 2.721 5 40 JFBB O=C(NC1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 24828493 APWRDOYCKCWYQN-UHFFFAOYSA-N 465.576 2.544 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1ccccc1 101056814 SJRHWTVSYNNZDX-NFFVHWSESA-N 474.517 2.912 5 40 JFBB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCCN12 138052646 PPZSONNTLFUKJX-OQGNEYSTSA-N 490.516 2.757 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O)c1ccc(OC(=O)c2ccco2)cc1 408660224 WNYXUWXVEBRUDG-UHFFFAOYSA-N 491.412 2.796 5 40 JFBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 40399928 FGNVREKJOZRQDL-HNNXBMFYSA-N 464.438 2.803 5 40 JFBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1 9634697 CRTMRINTLVWEQO-UHFFFAOYSA-N 467.434 2.964 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248118015 QKUMKBUHFLUBPJ-JFNLIGNMSA-N 466.881 2.988 5 40 JFBB CC(C)(C)OC(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)OCc1ccccc1 6002129 XOKJQPSAIVTLPX-LJQANCHMSA-N 457.483 2.890 5 40 JFBB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 9051733 VTAJVGXSIUXDFW-UHFFFAOYSA-N 467.478 2.951 5 40 JFBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 15687276 FPBYMPBERSQRMT-UHFFFAOYSA-N 455.492 2.903 5 40 JFBB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224202448 ZRMZOJUIKQKGLO-NRFANRHFSA-N 490.582 2.613 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1cccs1 2058585 MVJDKTZOCSYZEY-MUMAZLPKSA-N 455.517 2.768 5 40 JFBB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c1 12545788 CAAQCHZSVFVXRB-UHFFFAOYSA-N 472.567 2.959 5 40 JFBB CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100942658 YIQFDRMKHJZGSR-DOTOQJQBSA-N 487.266 2.655 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3c(C)cc(Cl)cc31)N1CCC[C@H]21 102548871 VPOUDYAYYVYREA-JQGROFRJSA-N 496.907 2.996 5 40 JFBB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 103459908 ZNGPEONHMCJKKE-GXRSIYKFSA-N 461.474 2.699 5 40 JFBB CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(OC)cc1 6547588 HGNDKXRZYKEVKV-GOSISDBHSA-N 473.482 2.621 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(NCC3(N(C)C)CCCCCC3)c([N+](=O)[O-])c2)CC1 35286667 QXZJHYLSJWZPSK-UHFFFAOYSA-N 453.609 2.597 5 40 JFBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccc(F)cc4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399732 JKIXYNIZWRVKGQ-CQSZACIVSA-N 452.402 2.934 5 40 JFBB Cc1ccc(C2=NC(NC(=O)COc3cccc([N+](=O)[O-])c3)=S=C2NC(=O)c2ccco2)cc1 334158876 VCGXZFPHEPLMEV-UHFFFAOYSA-N 478.486 2.875 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408690013 ZIXBSPANNYUCGF-XAMWDVODSA-N 462.418 2.868 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 409131731 WSNUKVMWEONPJK-UHFFFAOYSA-N 458.290 2.771 5 40 JFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 103769424 LENFKXNPPHIGIG-NVXWUHKLSA-N 487.266 2.655 5 40 JFBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC[C@@H]1COc2ccccc2O1 225240904 SJIADAMMZYBXQA-LJQANCHMSA-N 483.502 2.746 5 40 JFBB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 260743556 LHOJOYABEOPREE-CABCVRRESA-N 465.528 2.952 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408689222 XYLVJJHUTQPNSW-RTBURBONSA-N 480.433 2.918 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 102867115 OUHKGQMISZFWAN-XGKIYDHQSA-N 498.495 2.777 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408687471 ULTLUWBBEMZPMH-IRXDYDNUSA-N 480.433 2.918 5 40 JFBB COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2C)cc1 9328732 JTVFSAATBSDAEM-UHFFFAOYSA-N 456.484 2.644 5 40 JFBB O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12755722 SXLWNJYOISZHQP-UHFFFAOYSA-N 463.899 2.557 5 40 JFBB O=C(CN1C(=O)[C@H]2[C@@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 102095683 BBOQIOGRZHSCRD-UJLKNZRXSA-N 462.458 2.746 5 40 JFBB CSCC[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]12 105796261 QBUOBADNLLMEEU-LONFEIEESA-N 466.519 2.581 5 40 JFBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)N1CCN(c2ccccc2)CC1 408608406 WFPKAJPRYUWZDU-DHZHZOJOSA-N 477.477 2.694 5 40 JFBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408674502 ZUVKJWHGTLKGMO-IKTUDFLQSA-N 487.468 2.865 5 40 JFBB Cc1cc(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)n1CC(F)(F)F 3468338 JGGJBSDHAKLQOK-UHFFFAOYSA-N 467.356 2.598 5 40 JFBB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)CS2 12521687 VAKBEBZLIFAVIC-MAUKXSAKSA-N 458.462 2.716 5 40 JFBB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 16010067 PABJJFGGOMAVAZ-ZQDYSYBYSA-N 466.519 2.581 5 40 JFBB CCOC(=O)C1=C(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)NC(=O)N[C@H]1c1ccccc1 24767489 RPRRWWBODYREBG-QFIPXVFZSA-N 465.510 2.588 5 40 JFBB COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 16045970 YDSBJYACNYOBEV-UHFFFAOYSA-N 466.288 2.763 5 40 JFBB CN1CCN(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 34863414 ZZAAMESKLOEFBK-QHCPKHFHSA-N 473.599 2.780 5 40 JFBB CC[C@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccc(C(=O)OC)o2)[C@@H]1O 103617988 SELXDTMKKYESFY-NOMOBFHRSA-N 465.570 2.649 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21 248002644 UDGNBLFELYPSCF-FKRYTKDZSA-N 460.490 2.897 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccs1 408875372 DXZFTZQSJLJFEH-MUMAZLPKSA-N 470.532 2.789 5 40 JFBB O=C(CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)NC(c1ccccc1)c1ccccc1 36408743 IYPQXTZGMAWAOE-UHFFFAOYSA-N 494.573 2.807 5 40 JFBB 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Cc1ccc(S(=O)(=O)CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 15881841 GORNLCTYBABBFK-UHFFFAOYSA-N 481.533 2.605 5 40 JFBB CCCn1/c(=N\C(=O)c2ccc3c(c2)OCO3)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176369 LLRWYHGNUNIZEP-QYQHSDTDSA-N 474.473 2.706 5 40 JFBB COc1ccc(OCCNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 223528643 CTTYMCPKBANISN-UHFFFAOYSA-N 485.518 2.994 5 40 JFBB CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 8709124 HZIAVAFBOJTXSF-UHFFFAOYSA-N 475.571 2.797 5 40 JFBB Cc1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c([N+](=O)[O-])c1 12529149 VZAUAFVGIKLMQD-UHFFFAOYSA-N 473.463 2.770 5 40 JFBB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563611 BYTQROCEKVCNLG-UHFFFAOYSA-N 455.511 2.993 5 40 JFBB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC(C)(C)OC2=O)[C@@H]2c3ccccc3C=NN12 229859722 GIDAGIUFPCNPEY-ZCNNSNEGSA-N 463.446 2.863 5 40 JFBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCCCO 2095912 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N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 101159112 VZWDLADTSKJXFR-INIZCTEOSA-N 463.925 2.891 5 40 JFBB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12563264 HISQMDZYRALMIG-UHFFFAOYSA-N 477.447 2.950 5 40 JFBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)N(C)C)c1C 12862149 SCIPZGPKMLJJAM-UHFFFAOYSA-N 463.468 2.639 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101160836 PTYXBONDKJAIFZ-GOSISDBHSA-N 461.497 2.533 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 108132761 AILUQOOXQIRXNT-UHFFFAOYSA-N 475.889 2.955 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])o1 408730499 GWXZJZGPHCQXMT-OWMRDYPQSA-N 499.501 2.513 5 40 JFBB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC1)CS2 12521686 VAKBEBZLIFAVIC-QAPCUYQASA-N 458.462 2.716 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 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Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CCNC(=O)c2ccccc2F)n1C 107723134 GFWVUEZLHFFQEE-UHFFFAOYSA-N 472.502 2.874 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)Cc3ccccc3)CC2)c([N+](=O)[O-])c1 408571758 FHNYNYMQWHIOJG-UHFFFAOYSA-N 456.524 2.537 5 40 JFBB Cc1ccc(Cn2nnc3c(=O)[nH]c(C4CCN(C(=O)c5cccc([N+](=O)[O-])c5)CC4)nc32)cc1 1324647 YEEQGEGYNXQACD-UHFFFAOYSA-N 473.493 2.799 5 40 JFBB CCn1nc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c2ccccc2c1=O 10214194 PJEHGQJDIZCCOT-UHFFFAOYSA-N 485.503 2.866 5 40 JFBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N1CCOCC1 12586616 WMHAPHRXFRJKNN-SFHVURJKSA-N 454.593 2.928 5 40 JFBB O=C(NN1CCN(Cc2ccccc2Cl)CC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 25326851 CRKREUZINWTREV-UHFFFAOYSA-N 459.934 2.547 5 40 JFBB O=C(COC(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12)Nc1cccc([N+](=O)[O-])c1 3377603 IJFSBZQISKPGSK-UWJYYQICSA-N 459.455 2.806 5 40 JFBB CS(=O)(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c([N+](=O)[O-])c1 9316212 XMZRCWZMXUOCRP-UHFFFAOYSA-N 457.468 2.781 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9360563 UDGNBLFELYPSCF-MASGSYHESA-N 460.490 2.897 5 40 JFBB biogenic COCCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 10231815 LQPIOOFUUDDAFU-UHFFFAOYSA-N 454.936 2.817 5 40 JFBB O=C(C1=NN[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12)C(c1ccccc1)c1ccccc1 16034138 QLVMKFOOVXMGRQ-IFMALSPDSA-N 454.442 2.813 5 40 JFBB Cc1ccnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 20112417 BJBDOQKMKILMBE-UHFFFAOYSA-N 463.497 2.603 5 40 JFBB COc1cc(C(=O)NCCCN2CCN(c3cccc(C)c3)CC2)c([N+](=O)[O-])c(OC)c1OC 25226971 QELJULUUAWYEMN-UHFFFAOYSA-N 472.542 2.871 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cccc(OC)c1 31936781 YMHUVQSGFWURKQ-NFFVHWSESA-N 490.516 2.530 5 40 JFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC(OCc2ccccc2)CC1 69927624 ZHYFUUDRUFRONJ-UHFFFAOYSA-N 461.540 2.801 5 40 JFBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222728048 NNCHEHLOYGNFTE-KSSFIOAISA-N 463.512 2.788 5 40 JFBB COc1ccc(-c2nnc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)s2)cc1 223618711 HGIHANUPDBKFAW-UHFFFAOYSA-N 493.523 2.535 5 40 JFBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224120746 AYJRVHQABPWDGQ-HXUWFJFHSA-N 490.582 2.613 5 40 JFBB CC(C)CSc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225082740 PDXZKFVKBVENHF-NSHDSACASA-N 459.575 2.988 5 40 JFBB CN1C(=O)N(C)C(=O)C2(Cc3c(ccc([N+](=O)[O-])c3N3CCCCC3)N3CCCC[C@@H]32)C1=O 8743359 PKARVWVXHBMOLI-GOSISDBHSA-N 455.515 2.537 5 40 JFBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCN(C)C2 12620786 PVIBYYFOGJBFQH-UHFFFAOYSA-N 450.451 2.935 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@H]2C1=O 248121629 FKCXLLTVIVGIAX-LEWJJULVSA-N 482.880 2.688 5 40 JFBB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)c1 408552796 NYAPWTZZYKKATM-HNNXBMFYSA-N 463.512 2.960 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 408882349 NNFHZCIZZMRDSW-FNGUVFISSA-N 494.529 2.736 5 40 JFBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C(=O)NC)c1C 8884165 UORLQARQXVFISV-UHFFFAOYSA-N 483.886 2.950 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)CC1 12406553 KQMHDPUOOBJRMH-INIZCTEOSA-N 456.886 2.586 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)n1N 12643351 QNAOVVBIATUGLU-UHFFFAOYSA-N 466.426 2.908 5 40 JFBB O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] 56959525 VWMHOVWFQAFYHL-QHCPKHFHSA-N 474.521 2.608 5 40 JFBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3cccnc3)c2=N)cc1 101116304 XEIBZLAVJTZOPG-UHFFFAOYSA-N 480.528 2.819 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 408571724 DKHUZJMACCLDQW-UHFFFAOYSA-N 460.487 2.748 5 40 JFBB COCCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc2c1=O 9403549 YTHIFCBCCQZFPN-UHFFFAOYSA-N 458.496 2.999 5 40 JFBB O=C(COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccccc1[N+](=O)[O-] 9562502 JNLQQEGZYQZZJY-NRFANRHFSA-N 473.441 2.984 5 40 JFBB CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 9963858 UHACOVGRDRPISG-ZDUSSCGKSA-N 452.510 2.718 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2nc3c(s2)CCC3)CC1 15636618 ISHAWPMDHZLFKZ-UHFFFAOYSA-N 450.542 2.888 5 40 JFBB O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 21336370 ZTYDBVWFIXWKHM-UHFFFAOYSA-N 470.488 2.838 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c([N+](=O)[O-])c2)CC1 35292603 YMKNOLBLHKJUFU-UHFFFAOYSA-N 483.934 2.729 5 40 JFBB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222996430 BYRQXWSQVCKYEN-FQEVSTJZSA-N 490.582 2.531 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 409392954 UENYWTPUEZFROH-UHFFFAOYSA-N 481.538 2.821 5 40 JFBB COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])c(OC)c1OC 18047143 JRKINXMJJREFFO-QGZVFWFLSA-N 463.462 2.563 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35851805 HZDWVKGWUBXHGJ-KYCQWFEFSA-N 460.490 2.897 5 40 JFBB COc1ccc(-c2nnc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)s2)cc1 223332332 ISODULWNELWQFN-UHFFFAOYSA-N 477.524 2.835 5 40 JFBB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225466675 QQRCNNQYCLXSPY-CYBMUJFWSA-N 480.315 2.908 5 40 JFBB O=C(CN1C(=O)S/C(=C/c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 9234095 FDQNWIYBDPZIAW-LFIBNONCSA-N 451.526 2.728 5 40 JFBB CCn1cc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c(=O)c2ccc(C)nc21 9493626 HYEVKKBTTNKARR-UHFFFAOYSA-N 454.439 2.746 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)CC1 8774731 RRUZMZYLSQPWLD-KRWDZBQOSA-N 489.550 2.552 5 40 JFBB CCCOc1ccc(N2C(=O)C[C@@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1 10078790 LLMCYTFTQPANLJ-HXUWFJFHSA-N 453.499 2.669 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 16013210 PGDFJUILCHRCGT-DOGKRZLPSA-N 496.907 2.996 5 40 JFBB O=C(COC(=O)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 100603515 LKVDQJQXVPBMDS-SWCJPYALSA-N 474.469 2.739 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222730289 XQCNFAWKZNMYEY-HNNXBMFYSA-N 493.538 2.798 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 408642176 DRYFBUQMBKUWFB-WOJBJXKFSA-N 463.446 2.795 5 40 JFBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 16123875 HVAJWPCUIYOUEH-UHFFFAOYSA-N 477.524 2.912 5 40 JFBB CCCCn1c(=N)c(C(=O)NCCc2ccc(OC)c(OC)c2)cc2c(=O)n3ccccc3nc21 100758702 GEPSWFIVXGAFSS-UHFFFAOYSA-N 475.549 2.918 5 40 JFBB biogenic C[C@H](C(=O)NCc1ccc(CN2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224509348 URNIZEWNDUDWGU-QGZVFWFLSA-N 460.556 2.662 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 225063688 XTOILLRFXKVECV-UHFFFAOYSA-N 494.551 2.702 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408653406 PTISIIXIJWUIBX-KDURUIRLSA-N 478.417 2.694 5 40 JFBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10647096 JIHVNXXVVOOPQX-HNNXBMFYSA-N 461.496 2.953 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35851919 OUHKGQMISZFWAN-ONLLFZDPSA-N 498.495 2.777 5 40 JFBB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12 35851889 ASKKDZSGXQSJSE-NAZDKBRTSA-N 460.490 2.749 5 40 JFBB CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 102892105 VMUQMFUXIVMSOG-YASKCIBGSA-N 460.490 2.897 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1cccs1 408665824 ZMCSJWULHZITAS-NQDKFLQJSA-N 477.498 2.950 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408640335 ASGBMFSNEMRKNW-BGYRXZFFSA-N 463.446 2.795 5 40 JFBB Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2635186 MMGIUVRMCBNCRR-UHFFFAOYSA-N 469.837 2.931 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H]3CN(C)c3ccccc3)c([N+](=O)[O-])c2)CC1 58140007 XNXGQGUHINNSQS-FQEVSTJZSA-N 473.599 2.636 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccc2c(c1)OCO2 408731676 OTXBBHITDIAFBZ-LYFUXTGPSA-N 493.497 2.544 5 40 JFBB CN(C)c1ccc(S(=O)(=O)NCC(=O)OCc2c(Cl)cccc2Cl)cc1[N+](=O)[O-] 8826492 KDXJZQOZWDHDJN-UHFFFAOYSA-N 462.311 2.989 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101099456 QTMDHWZKAGWGBP-UHFFFAOYSA-N 468.492 2.949 5 40 JFBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)cc1 102779029 NLJFZWILDCTVKR-MIJFPBIKSA-N 464.478 2.711 5 40 JFBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 3510188 GYSVNJXLEWONTK-UHFFFAOYSA-N 454.468 2.554 5 40 JFBB CSc1nc2nc(C)c(CCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C)n2n1 12561608 YDMJHUDSGXIJOL-UHFFFAOYSA-N 455.544 2.653 5 40 JFBB Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 16010048 ULKUIXDUYYFFCK-DDOIHHOZSA-N 466.881 2.988 5 40 JFBB C[C@H](Nc1ccc(S(=O)(=O)NCCCN(C)C)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 32888360 CJNSEEDKRSATJW-AWEZNQCLSA-N 450.517 2.727 5 40 JFBB COc1ccc(CCn2c(=N)c(C(=O)NCC(C)C)cc3c(=O)n4ccccc4nc32)cc1OC 101175979 UGUQMJICEZAPSW-UHFFFAOYSA-N 475.549 2.774 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@H]2C1=O 248332419 IRQJPZFFSINUDE-UOMSLYCOSA-N 476.489 2.651 5 40 JFBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408664585 QSJHGUNNOVFCMH-QGZVFWFLSA-N 483.477 2.942 5 40 JFBB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408665228 QZPYEYCQXIXJMB-AWEZNQCLSA-N 457.439 2.537 5 40 JFBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3cccc([N+](=O)[O-])c3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408687169 SZFUMQCUFGDACD-XWRIVVANSA-N 492.444 2.940 5 40 JFBB CSCC[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12 16042102 JBEVVQKBUZUCMO-NZQNYPKQSA-N 466.519 2.581 5 40 JFBB biogenic COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC(=O)N3)cc1 40399932 KWIHBIMUDXTQDF-CQSZACIVSA-N 480.437 2.503 5 40 JFBB CCN1C(=O)[C@@]2(c3ccccc31)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCCN12 103507568 ASKKDZSGXQSJSE-QTDDQOEGSA-N 460.490 2.749 5 40 JFBB CCC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2cccc([N+](=O)[O-])c2)c2ccccc21 13757090 JSHJANUYNSFEFY-GOSISDBHSA-N 472.457 2.936 5 40 JFBB CC(C)OC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 13856762 GUAXTOQGRVTUQA-KRWDZBQOSA-N 454.435 2.939 5 40 JFBB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 9353087 OSXRWMXBRLBNAM-NCXUSEDFSA-N 465.853 2.601 5 40 JFBB CCOc1ccc(CCNC(=O)COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1OCC 9633793 AVDLTYYNCFVZHH-UHFFFAOYSA-N 474.466 2.695 5 40 JFBB O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 13601186 XVTYNMMYPPEDDY-UHFFFAOYSA-N 470.301 2.631 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248094615 HUESUTSWNOZRIV-XWIDLSQFSA-N 466.881 2.988 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 408688985 XIJJGPOYSUMJJT-VUEDXXQZSA-N 463.421 2.781 5 40 JFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Oc2cnccn2)c1 24658039 MFQWRAUHVPYLNR-UHFFFAOYSA-N 457.468 2.942 5 40 JFBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408689462 YFHFTOBSPGHQAH-IQVOZAENSA-N 492.444 2.940 5 40 JFBB O=C(CNC(=O)c1ccc(Br)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3359648 OADYJDPFBGCGLR-UHFFFAOYSA-N 451.229 2.697 5 40 JFBB COCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792141 ULDKLWHHZDBLEP-UHFFFAOYSA-N 461.474 2.751 5 40 JFBB biogenic CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 10728266 IFCKRRVKHLQWLK-MRXNPFEDSA-N 461.515 2.932 5 40 JFBB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1[N+](=O)[O-] 13129536 QQWUOPLMJYANMM-UHFFFAOYSA-N 481.552 2.815 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3c(C)cc(C)cc31)N1CCC[C@H]21 16000308 GKDNGYRMOYIJID-ILDDTBCLSA-N 476.489 2.651 5 40 JFBB COc1ccc(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1[N+](=O)[O-] 28304847 SOOUQXFNLVSDKV-UHFFFAOYSA-N 475.479 2.569 5 40 JFBB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@]21O 59410374 AIXNJADSSZEICA-MWRVFVKCSA-N 487.597 2.995 5 40 JFBB biogenic O=C(COC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9545719 BSBKQDJTKNDQTD-UHFFFAOYSA-N 499.904 2.970 5 40 JFBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 11028982 BLWOSKGFCLQFSB-LLVKDONJSA-N 455.876 2.683 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)[nH]c(=O)c21 40388716 MYMNLYOUHPIQMY-ZOWXZIJZSA-N 454.487 2.533 5 40 JFBB O=C(CCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1 48344421 SNTRQVFKKXPNAX-GFCCVEGCSA-N 493.289 2.994 5 40 JFBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2ccc(O)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 19923962 MHOPGNTVSWUVFT-QFIPXVFZSA-N 495.488 2.681 5 40 JFBB CC1CCC(NS(=O)(=O)c2ccc(NCCCn3nc4n(c3=O)CCCC4)c([N+](=O)[O-])c2)CC1 40135289 FGBABNKKPHWUNP-UHFFFAOYSA-N 492.602 2.649 5 40 JFBB CCOC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(nc(SC)[nH]c2=O)N[C@]1(O)c1ccccc1 44974279 YXOPBXQXUUMLAG-CEXJFXJFSA-N 482.518 2.982 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 223105120 VXUCFOQEJNWQSD-UHFFFAOYSA-N 463.497 2.527 5 40 JFBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408664581 QSJHGUNNOVFCMH-KRWDZBQOSA-N 483.477 2.942 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(OC)cc1 408874114 YUBMCALJFOGZQF-FNGUVFISSA-N 494.529 2.736 5 40 JFBB CCOC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3)c2=N)CC1 101173968 IJQSMCHVENQDEK-UHFFFAOYSA-N 485.544 2.592 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3OC)c(=O)n2[C@H]1c1ccccc1 408729316 YYOWDSULOMFFHH-YMFQVDJJSA-N 479.514 2.715 5 40 JFBB COc1ccc(N(CC(=O)NCCCOC(C)C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409267519 NCPRUCYNTMSDRF-UHFFFAOYSA-N 495.554 2.739 5 40 JFBB COc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c([N+](=O)[O-])cc1OC 9631469 RWKKRHVLIZEYNK-UHFFFAOYSA-N 485.902 2.539 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35851751 XKDZDNYNWNYBJG-RRQFZRKBSA-N 490.516 2.905 5 40 JFBB CCCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4ncccc4[N+](=O)[O-])CC3)C2=O)cc1 100211101 ZEQMMMKSNUKTAP-IBGZPJMESA-N 453.499 2.669 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 138090305 UHXDDHDGRBUDMU-KCXPTXFHSA-N 470.844 2.819 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 408782186 WPEFCDXXMWXMHC-OLROSQPISA-N 483.477 2.551 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 3300838 MXNKSKDVNRUDMQ-UHFFFAOYSA-N 450.469 2.849 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 224524033 ONZXBZKTNKVSCP-UHFFFAOYSA-N 461.418 2.705 5 40 JFBB O=C(COC(=O)[C@@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cccc(Cl)c1Cl 408662055 WXBRNMNETGBQIP-LLVKDONJSA-N 495.275 2.577 5 40 JFBB O=C(NCc1ccco1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 888089359 XEODHHCDQPXRAO-MEICDQCUSA-N 460.490 2.831 5 40 JFBB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 9525979 NDUUCDUUYLDHQU-MRXNPFEDSA-N 469.450 2.696 5 40 JFBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 25561268 NAPPFVHLAYZRPZ-MRXNPFEDSA-N 490.365 2.648 5 40 JFBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 29676285 IRIROLIAJCJWOI-HZPDHXFCSA-N 451.955 2.594 5 40 JFBB COc1ccc(OC)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640688 YXCSEFQNUYHJGB-AEFFLSMTSA-N 463.537 2.887 5 40 JFBB CCOC(=O)CN(c1cccc(C(=O)OCC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225013511 FZLHPRLDVNPGFG-UHFFFAOYSA-N 450.469 2.838 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1 408645974 NTQDHCIYPLDOHO-UHFFFAOYSA-N 456.860 2.603 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704743 SDPVPNSBDDMYIL-UHFFFAOYSA-N 451.457 2.517 5 40 JFBB O=C(Cn1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21)N1CCOCC1 14010235 YSGVLGWVNZQXNL-BKUYFWCQSA-N 489.488 2.501 5 40 JFBB COC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(Cl)cc1 38203253 WOOKPIJOQKBBBC-DPWKNNTCSA-N 469.906 2.970 5 40 JFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 59416519 RRXAHMIHFBDELV-WMZOPIPTSA-N 456.842 2.854 5 40 JFBB CC12CN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC(C)(CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C1)C2=O 9044518 LKDYKPZXXAIXFY-UHFFFAOYSA-N 494.504 2.554 5 40 JFBB O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCC1 32902908 JLLBPJPTFBKYED-QHCPKHFHSA-N 464.522 2.621 5 40 JFBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 103769285 SHKRMXJKOINHHR-WBVHZDCISA-N 457.240 2.681 5 40 JFBB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224588288 PSOULTXEHRVNQT-IBGZPJMESA-N 459.499 2.934 5 40 JFBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)N1CCCc2ccccc21 2650637 YYJOADFXVLWBCU-IBGZPJMESA-N 471.535 2.969 5 40 JFBB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12996318 YPMMRRAIRKUIAQ-UHFFFAOYSA-N 487.513 2.683 5 40 JFBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@H]3c1cccc([N+](=O)[O-])c1 20308447 NIRWOLQNGXFBPV-NRFANRHFSA-N 465.462 2.587 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 25218729 HKQYLDJDNFPLEU-QFIPXVFZSA-N 480.562 2.620 5 40 JFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2658738 DNSZPZXMVPHNJO-UHFFFAOYSA-N 474.447 2.890 5 40 JFBB O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 3259676 VGPFRVTUIZCNDL-UHFFFAOYSA-N 450.444 2.948 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 15124722 UZHCKPJLJLTCLC-UHFFFAOYSA-N 450.517 2.993 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(F)cc1 217570403 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COC(=O)c1ccc(Cl)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10325205 AAVMUCIHOKMJOA-UHFFFAOYSA-N 455.876 2.748 5 40 JFBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC(=O)N3)cc1 40399930 KWIHBIMUDXTQDF-AWEZNQCLSA-N 480.437 2.503 5 40 JFBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(I)c1OCC 98031670 ZCLBDUUTMWKYAN-WAYWQWQTSA-N 473.223 2.956 5 40 JFBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1 138885062 QSVATVCMMANXPY-GFCCVEGCSA-N 462.256 2.892 5 40 JFBB C[C@@]1(N(CCNCc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 575422831 WPASGPARZVNUOY-OAQYLSRUSA-N 462.528 2.672 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 9329353 NQGWQFJZOSDLMT-RSOWOLOUSA-N 496.907 2.996 5 40 JFBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)[C@]1(C(=O)Nc3ccccc31)N1CCC[C@H]21 9354003 KFEVPYJQFFLOEZ-UVLLPENVSA-N 452.854 2.679 5 40 JFBB 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CC[C@@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccc(C(=O)OC)o2)[C@@H]1O 103617992 SELXDTMKKYESFY-IOXSDFTHSA-N 465.570 2.649 5 40 JFBB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224103349 ZETOICNZYAXZGU-LJQANCHMSA-N 479.555 2.960 5 40 JFBB COc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC 224861815 MFJYPBKRKVONRL-UHFFFAOYSA-N 465.528 2.783 5 40 JFBB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 408670878 JNMUQHZEVCCCHH-UHFFFAOYSA-N 458.423 2.925 5 40 JFBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCCO4)C2=O)cc([N+](=O)[O-])c1O 409193583 HFMHSWJKLQFRKD-CAOOACKPSA-N 487.446 2.755 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 2350645 USCULKINFPUYRF-WDEBQMKVSA-N 496.907 2.996 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NCc2ccccc2)CC1 8774734 RRUZMZYLSQPWLD-QGZVFWFLSA-N 489.550 2.552 5 40 JFBB 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Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl 408598421 ZZNXSNLTNQVEQE-UHFFFAOYSA-N 469.903 2.595 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)CC1 8774915 MRPNGFWAJKFTRI-KRWDZBQOSA-N 495.598 2.932 5 40 JFBB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCCN12 9361273 STZFWFBWYIPTPF-HSGJQSDISA-N 460.490 2.749 5 40 JFBB COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 9389114 ZUDHYZBEGPWZMJ-UHFFFAOYSA-N 455.876 2.530 5 40 JFBB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12563139 XYERAOJNNNMRIY-UHFFFAOYSA-N 478.958 2.960 5 40 JFBB O=C(Cn1nnc(-c2cccc(Cl)c2)n1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12565494 LAXWRQUGFIQGBF-UHFFFAOYSA-N 462.297 2.904 5 40 JFBB COc1cc(CCNC(=O)[C@@H]2CS[C@@]3(c4ccccc4)CCC(=O)N23)c([N+](=O)[O-])cc1OC 22833857 CYRMOAMHZMXAQO-FDDCHVKYSA-N 471.535 2.862 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224867452 LJMSNMUDALDLGZ-UHFFFAOYSA-N 463.390 2.907 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 35843148 NTYYQZXCVKCKOM-TWFFJXMTSA-N 482.880 2.688 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)c1 408652833 DALWJIZYMLFIBE-GKHNXXNSSA-N 493.472 2.934 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc(C)c1 101176752 APNHOLGOCCLCIX-NFFVHWSESA-N 474.517 2.912 5 40 JFBB Cc1c(N(CC(=O)NCc2ccc(CN3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224507774 LEYFKVBFPRRKHS-UHFFFAOYSA-N 460.556 2.581 5 40 JFBB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224781524 NOCYUQQCMUNTPH-UHFFFAOYSA-N 450.469 2.757 5 40 JFBB Cc1nnc(NC(=O)CSc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)s1 9369134 RINNKJJOIMCSEJ-UHFFFAOYSA-N 451.515 2.898 5 40 JFBB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 34746704 KXYIJWFVABUVTO-UHFFFAOYSA-N 451.483 2.932 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc(F)c1 101176760 VPSPMFHTRMSAMQ-SLMZUGIISA-N 478.480 2.743 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408673102 YQJIMVOURWZXMS-LBPRGKRZSA-N 492.282 2.901 5 40 JFBB Cc1cc(C(=O)COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 2664696 KDSSUVYYHYQCRS-MRXNPFEDSA-N 464.496 2.635 5 40 JFBB COc1ccc(C(=O)N2[C@@H](CC(=O)Nc3cccc([N+](=O)[O-])c3)C(=O)N[C@@H]3CCCC[C@@H]32)cc1 10075141 YWTRZYMWVKTWQR-HKBOAZHASA-N 466.494 2.884 5 40 JFBB CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 13565741 LHCVLTAUMNILFX-OAQYLSRUSA-N 453.543 2.946 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 24837147 RYJGCRHLRWOCGN-INIZCTEOSA-N 479.942 2.641 5 40 JFBB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29851785 KTHGUWFIPREMKC-GFCCVEGCSA-N 478.431 2.932 5 40 JFBB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101091400 SQZXOKMELVCJJJ-VDNWNZSNSA-N 497.305 2.789 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 104072194 NTYYQZXCVKCKOM-ZLAJIECUSA-N 482.880 2.688 5 40 JFBB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1)c1ccc([N+](=O)[O-])cc1 8882926 DLFPBMMESGGCIY-AEFFLSMTSA-N 494.529 2.817 5 40 JFBB biogenic COc1ccccc1-n1c(SCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)nc2cc([N+](=O)[O-])ccc21 9612681 ATNRCJVQOYJUOT-OAHLLOKOSA-N 490.563 2.680 5 40 JFBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3CC)C2=O)c1O 409232393 OQHARHWWOLZYJW-LICLKQGHSA-N 454.439 2.793 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21 16010166 XKDZDNYNWNYBJG-FKRWJQPVSA-N 490.516 2.905 5 40 JFBB Cc1c(NC(=O)COc2ccc(Cl)cc2S(=O)(=O)N2CCOCC2)cccc1[N+](=O)[O-] 22250356 AOTWZFYJNNUDML-UHFFFAOYSA-N 469.903 2.595 5 40 JFBB CC(=O)Oc1ccc(Br)c(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)c1 1087666 LSXHQFMCMXQHPH-CXUHLZMHSA-N 487.291 2.962 5 40 JFBB Cc1cc(NC(=O)CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)nc2c1c(=O)oc1ccccc12 6528921 ZSKOVVCMOOHWMH-SJORKVTESA-N 456.502 2.869 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 14397103 HGURJZMPZFFHLS-UHFFFAOYSA-N 454.511 2.961 5 40 JFBB CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc([N+](=O)[O-])cc1 15722178 OGRAIDCNUKWCJI-GOTSBHOMSA-N 497.596 2.921 5 40 JFBB O=C(COc1ccc(Br)cc1F)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25022780 IWMAHTRNIBEPPS-UHFFFAOYSA-N 496.289 2.767 5 40 JFBB N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 101159953 XIEAVACUDAKRAX-UHFFFAOYSA-N 479.496 2.836 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O 15990359 ZFYMCGQGYJNKQI-YWNPBTLJSA-N 466.881 2.988 5 40 JFBB CCOC(=O)[C@@H]1Sc2nc(O)sc2[C@H](c2cc([N+](=O)[O-])ccc2O)[C@@H]1C(=O)OCC 16805034 UJBMHTQZNUGEQA-MBNYWOFBSA-N 454.482 2.811 5 40 JFBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)c2cccnc2)[C@@H]1c1cccc([N+](=O)[O-])c1 100477776 SLKCSVBWJWDYLZ-JOCHJYFZSA-N 494.504 2.761 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409149019 VYNLRYZNLGBMPO-UHFFFAOYSA-N 485.482 2.601 5 40 JFBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 8917131 DLQVBDPONXKHAL-INIZCTEOSA-N 483.340 2.952 5 40 JFBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 13074662 KBKPFLOHUMPNKG-OAHLLOKOSA-N 486.531 2.871 5 40 JFBB Cc1nccn1Cc1cccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1 36396100 GSKDUNVJQBPOFH-UHFFFAOYSA-N 484.582 2.696 5 40 JFBB CC(=O)C1=NN(c2ccc(Br)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100942620 OZHLIGBCQPGARM-NVXWUHKLSA-N 457.240 2.681 5 40 JFBB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408674501 ZUVKJWHGTLKGMO-FJSPMQPASA-N 487.468 2.865 5 40 JFBB Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3485072 UQAXINHFKUUQJN-CYBMUJFWSA-N 469.903 2.795 5 40 JFBB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 9190274 LKSUNIIPYRQENQ-UHFFFAOYSA-N 473.555 2.529 5 40 JFBB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9509737 QQXZPVZHYZXLOI-UHFFFAOYSA-N 474.539 2.858 5 40 JFBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256357 VJWOXYKWWWKHOJ-UHFFFAOYSA-N 482.863 2.874 5 40 JFBB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 13149479 LBTKQJNSBZPAED-AWEZNQCLSA-N 454.439 2.585 5 40 JFBB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(=O)Nc4c2ccc(C)c4C)N2CCC[C@H]32)cc1[N+](=O)[O-] 35851734 WONQTOWVPWJVQJ-ILDDTBCLSA-N 460.490 2.951 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccs1 101050567 DLEXPTLXGLFMNP-QLYXXIJNSA-N 480.546 2.973 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC1CCCC1)S(C)(=O)=O 222867246 NPKGOCSACUTQOY-UHFFFAOYSA-N 459.590 2.942 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccccc1CN1CCCC1)S(C)(=O)=O 260902859 XKMQKDSUGMVSFE-GOSISDBHSA-N 474.583 2.970 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 408576886 YNYYNMNRMAVPFB-UHFFFAOYSA-N 472.523 2.617 5 40 JFBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1cccc([N+](=O)[O-])c1 408650963 CNFPESICBYIBGG-GFCCVEGCSA-N 462.256 2.892 5 40 JFBB O=c1nc2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2nc1Cc1ccccc1 1464481 IAOPRMAZUZZXHM-MOSHPQCFSA-N 458.455 2.818 5 40 JFBB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]12 9316513 PABJJFGGOMAVAZ-QYUDBREXSA-N 466.519 2.581 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 13541610 KPLGJLYESKJSKL-KHTISZTLSA-N 476.489 2.651 5 40 JFBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@@H]3C2=O)cc1[N+](=O)[O-] 35851735 WONQTOWVPWJVQJ-NRGSMNHXSA-N 460.490 2.951 5 40 JFBB 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COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 408655897 SBBIKNIPWXUAOP-KLDKWKSESA-N 477.473 2.875 5 40 JFBB O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10000197 LLOBJIUDGCMGJD-UHFFFAOYSA-N 453.407 2.570 5 40 JFBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 15326956 MMYCUVMLZJCEFR-UHFFFAOYSA-N 480.493 2.620 5 40 JFBB COCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C(C)=C[C@H]21 101479690 ZNGPEONHMCJKKE-YUMYIRISSA-N 461.474 2.699 5 40 JFBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260918019 SGTRLGYKLTXRLP-ROUUACIJSA-N 490.582 2.693 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248118020 QKUMKBUHFLUBPJ-PMECCGAFSA-N 466.881 2.988 5 40 JFBB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 260764548 JYBUEOQUUYSVLS-KGLIPLIRSA-N 451.501 2.644 5 40 JFBB 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CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccccc1 409126924 GIORWSXMRSGCFL-UHFFFAOYSA-N 454.512 2.545 5 40 JFBB COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2328409 XWZYCIRBQPAQOR-UHFFFAOYSA-N 468.462 2.851 5 40 JFBB Cn1c(=O)c2c(nc3n(-c4cccc(Cl)c4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9313336 WORYIBDOLFVCMH-UHFFFAOYSA-N 450.842 2.904 5 40 JFBB O=C(COC(=O)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1[N+](=O)[O-] 9631295 CRTUFUBJFYPVIN-UHFFFAOYSA-N 462.375 2.707 5 40 JFBB COc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 224861674 NFSMQJGNOZGGJC-UHFFFAOYSA-N 465.528 2.653 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O 225326635 ITKHZPYYLXHPNC-UHFFFAOYSA-N 475.574 2.608 5 40 JFBB COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2C)c([N+](=O)[O-])c1 409169899 RRXVVRMFUPJVOL-UHFFFAOYSA-N 470.511 2.701 5 40 JFBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCCCO 8743348 PXDCBAZSWWAXPQ-QPPBQGQZSA-N 462.506 2.924 5 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C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O 408703325 FBUSAEQSXYGCBA-NSHDSACASA-N 455.876 2.813 5 40 JFBB O=C(c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9562912 MCOSSWVSCNWBTN-UHFFFAOYSA-N 476.530 2.871 5 40 JFBB Cc1cccc(-c2nc3scc(CCNC(=O)C(=O)Nc4ccccc4[N+](=O)[O-])n3n2)c1 9569109 XCDUFCMVHOWDQQ-UHFFFAOYSA-N 450.480 2.972 5 40 JFBB CCN(CC)C(=O)c1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10372307 JUPGYBPIVNPWJW-UHFFFAOYSA-N 462.528 2.790 5 40 JFBB CC(C)C[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 12560526 VNPLLZLHVWUHEX-NRFANRHFSA-N 490.582 2.872 5 40 JFBB O=C(O)c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 9511918 DRKCZAXCXOWLRO-UHFFFAOYSA-N 477.476 2.895 5 40 JFBB Cc1onc(C(=O)N2CCN(Cc3cccc(Br)c3)CC2)c1Cn1cc([N+](=O)[O-])cn1 22747131 JWTMWHWRDUHUIA-UHFFFAOYSA-N 489.330 2.857 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(C)cc1 31936640 XWHNFTSWBANUHV-NFFVHWSESA-N 474.517 2.830 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 33716956 IRQJPZFFSINUDE-LZISPXOZSA-N 476.489 2.651 5 40 JFBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccc(C(=O)OC)o2)[C@@H]1O 100745585 SELXDTMKKYESFY-ZSUCJLRJSA-N 465.570 2.649 5 40 JFBB CCCn1/c(=N\C(=O)c2cc(OC)cc(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176382 OAKRROARNRUJNS-NFFVHWSESA-N 490.516 2.994 5 40 JFBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]2[C@H]2C=CC=NN12 230010345 KKMKPPZWRNPUAM-LULLPPNCSA-N 450.838 2.845 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408645201 HTCWQPQGJMMILZ-YXUGBTPSSA-N 453.476 2.928 5 40 JFBB CC(C)OC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 408654653 KSPHZVFOUWKNHQ-MRXNPFEDSA-N 469.450 2.695 5 40 JFBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408655455 CYLHUVFOHJDBHB-BMHXQBNDSA-N 461.430 2.702 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(O)c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1 408782191 WPEFCDXXMWXMHC-ZMUHTPIZSA-N 483.477 2.551 5 40 JFBB O=C(CN1C(=O)COc2ccccc21)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9367624 YFSCKYRJQWAXJL-UHFFFAOYSA-N 464.400 2.688 5 40 JFBB O=C(CNC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)OCc1cccc([N+](=O)[O-])c1 24522219 FMSYWAVPWZKGDH-UHFFFAOYSA-N 459.414 2.869 5 40 JFBB O=C(c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 34764956 BIEMYBPEVVGSRA-UHFFFAOYSA-N 455.456 2.735 5 40 JFBB CCS(=O)(=O)[C@@](Br)(I)C(=O)c1ccc([N+](=O)[O-])cc1 96518548 KCJDDYZVWMMHAV-JTQLQIEISA-N 462.059 2.696 5 40 JFBB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)/N=c3/sc4cc([N+](=O)[O-])ccc4n3C)cc2)C[C@@H](C)O1 100821170 XBRCTPRWQOQMQQ-KZEJZXPMSA-N 490.563 2.687 5 40 JFBB COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C(=O)Nc4ccc(C)cc42)N2CCC[C@H]32)c(C)cc1[N+](=O)[O-] 104062763 JKVBXPAQIQGZPG-WYKWESTDSA-N 476.489 2.651 5 40 JFBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc21 408535265 VNWLWSISBCAXBE-IUXPMGMMSA-N 469.435 2.930 5 40 JFBB CC(=O)C1=NN(c2ccc(Br)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 16138920 OZHLIGBCQPGARM-WBVHZDCISA-N 457.240 2.681 5 40 JFBB COc1ccc(CCn2c(=N)c(C(=O)NC(C)C)cc3c(=O)n4ccccc4nc32)cc1OC 101111721 BGUYELLNOWEMGZ-UHFFFAOYSA-N 461.522 2.527 5 40 JFBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408683240 KXDKIABBUWHNRV-RFVSGWPVSA-N 492.444 2.940 5 40 JFBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N[C@@H]1CCCc2ccccc21 9632082 RWEUNTSCSBTJPS-LJQANCHMSA-N 459.524 2.952 5 40 JFBB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@@]21O 61996988 AIXNJADSSZEICA-MPHOMUCDSA-N 487.597 2.995 5 40 JFBB biogenic C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)OCc1cc([N+](=O)[O-])cc3c1OCOC3)C2=O 9988546 RSDCVAURULVIPU-DMZKTXOQSA-N 461.471 2.641 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 12755326 NJFMGIRFEHBYBC-UHFFFAOYSA-N 477.926 2.866 5 40 JFBB O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 33354615 MYNDJWWGSCNOLD-UHFFFAOYSA-N 451.307 2.505 5 40 JFBB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087219 LAIZEEUPRKZMFG-UHFFFAOYSA-N 450.469 2.757 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c1 408658774 IVYHHYYEKTWNBD-ZYNNUQKQSA-N 491.456 2.710 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 9108783 ZTNHJNDQYSIEMK-PAXILDSZSA-N 496.907 2.996 5 40 JFBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CNC(=O)COc3ccccc3)cc2)cc1[N+](=O)[O-] 9493094 SIPUZUWNAITAHR-UHFFFAOYSA-N 498.517 2.838 5 40 JFBB Cc1ccc(-n2cnn(CN3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2=S)c(C)c1 13063473 MFYZBOSOMJIJPP-UHFFFAOYSA-N 488.595 2.892 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408686227 QZKSXAJNNOITSZ-VUEDXXQZSA-N 492.444 2.774 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408687467 ULTLUWBBEMZPMH-CALCHBBNSA-N 480.433 2.918 5 40 JFBB COc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C(=O)NC(C)C)cc1 225679304 ONDFAGFRTUBTDX-MRXNPFEDSA-N 459.499 2.933 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 3262642 HANAUZTUOGGYLQ-CYBMUJFWSA-N 497.551 2.636 5 40 JFBB Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 33667261 UGXIRDRIDKPLNX-PRHHBONVSA-N 466.881 2.988 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)/c1=N\C(=O)c1cccs1 101177115 IQIJTERMEWCNCP-UZGAPFOWSA-N 478.530 2.808 5 40 JFBB O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(S(=O)(=O)N2CCOCC2)c1 14307348 OYMVVICZRRHNAK-UHFFFAOYSA-N 471.539 2.876 5 40 JFBB 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CCOC(=O)/C=c1\s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1CC(=O)c1ccc(Cl)cc1 33681591 SKPZBYLVUYNSAL-ZZUVKVOASA-N 472.906 2.527 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccc2c(c1)OCO2 408730749 HOTWCQZAOSHERN-BYHQVZLYSA-N 493.497 2.544 5 40 JFBB CCOC(=O)C1=C(C)N=C(N[N+](=O)[O-])N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408732333 UPICMDXKYCANNP-HXUWFJFHSA-N 485.453 2.801 5 40 JFBB Cn1c(=O)c2c(nc3n(-c4ccccc4Cl)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9009453 PRZQMIIYLHATRL-UHFFFAOYSA-N 450.842 2.904 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 138918122 MLDZQZIKOVKUGR-RTBURBONSA-N 478.417 2.694 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1ccc(Cl)cc1Cl 408651769 DUUBFIOCNOLRHA-NSHDSACASA-N 495.275 2.577 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)c1 408660934 NVNDEMZDMCSBKM-ZYNNUQKQSA-N 493.472 2.934 5 40 JFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1 409164662 LQZOZJVJEPEZAC-CXUHLZMHSA-N 459.436 2.993 5 40 JFBB CCOc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1 9433856 FWTKOEFFKWYWBX-XSXFHOMPSA-N 494.504 2.801 5 40 JFBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 15168051 FKEPVRZYPCHFFD-UHFFFAOYSA-N 465.841 2.636 5 40 JFBB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224103295 ZETOICNZYAXZGU-IBGZPJMESA-N 479.555 2.960 5 40 JFBB O=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 408853642 VUHPZFLHFYSYKQ-KRWDZBQOSA-N 452.872 2.827 5 40 JFBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@@H]1CCCO1 2094309 BTXRTYMJKSAGFF-JBUDQFAYSA-N 460.490 2.940 5 40 JFBB biogenic Cc1ccc(-n2cnn(CN3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c2=S)c(C)c1 13071276 PNGJKSFHISXIDQ-UHFFFAOYSA-N 488.595 2.892 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N\C(=O)c1ccncc1 101104841 ONISLKYCGKBYDD-FAJYDZGRSA-N 483.484 2.912 5 40 JFBB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224788842 JOXPFKPRNKSDFO-UHFFFAOYSA-N 450.469 2.838 5 40 JFBB CCOC(=O)CN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225084694 ZDPNVEMKGGCAFO-UHFFFAOYSA-N 450.469 2.757 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2nccn2C)CC1 12560427 GUVFRTMKHQPFLL-JOCHJYFZSA-N 497.577 2.943 5 40 JFBB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 13563312 GTZWHXXSKCXMMW-UHFFFAOYSA-N 486.594 2.776 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1ccc(Br)cc1 138885147 QSVATVCMMANXPY-LBPRGKRZSA-N 462.256 2.892 5 40 JFBB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408655323 GYJGJXUODXTCFO-QVIVCSSQSA-N 465.414 2.738 5 40 JFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9242428 PBVSOIVDCRGCAE-DYVMYPEFSA-N 466.881 2.988 5 40 JFBB COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 36218306 QPEJDSYCSPUNFP-UHFFFAOYSA-N 467.482 2.632 5 40 JFBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3302950 AUKXZROBDVDNHN-UHFFFAOYSA-N 450.787 2.617 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccc(OC(F)F)cc3)c([N+](=O)[O-])c2)CC1 15168450 CULHEGIRLXIFRE-UHFFFAOYSA-N 470.498 2.769 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 18038266 LULZSCZYNSTKFQ-AKHDSKFASA-N 495.289 2.954 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 9088438 ZFVZIBJAYAXLND-QTDDQOEGSA-N 460.490 2.897 5 40 JFBB CC(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCCC1 12562464 GPDJBHZKDPOXBN-OAQYLSRUSA-N 454.593 2.928 5 40 JFBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)Nc1cc(C)on1 13056512 BXXNLXKSVWTHLO-CQSZACIVSA-N 470.891 2.578 5 40 JFBB COc1ccc(OC)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640687 YXCSEFQNUYHJGB-SJLPKXTDSA-N 463.537 2.887 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 408679418 DZDDFRCKDRRHLN-QDGJQWLKSA-N 475.457 2.651 5 40 JFBB O=C1CCC(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)=NN1 9539598 RXJCIOXJKWDJCA-KRWDZBQOSA-N 475.255 2.846 5 40 JFBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 10647097 JIHVNXXVVOOPQX-OAHLLOKOSA-N 461.496 2.953 5 40 JFBB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 16084421 KYDRLDSGXACWRT-KRWDZBQOSA-N 464.496 2.772 5 40 JFBB COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4ccc([N+](=O)[O-])o4)c(=O)n32)c1 22740643 PLXAIFMGJMTWTC-KDMTZKAISA-N 483.502 2.697 5 40 JFBB CC(C)C(=O)Nc1cccc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 24211297 OFZWVDZNMHWYJY-UHFFFAOYSA-N 462.528 2.822 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCCN2CCC[C@@H](C)C2)CC1 32931410 HDGIKBXCWIWDQP-QGZVFWFLSA-N 466.604 2.542 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@H](CCSC)N[C@@]4(C(=O)Nc5ccccc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-] 248085499 FFBWWZVOBWOVDP-GKIGCEAWSA-N 496.545 2.590 5 40 JFBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])C1=O 409242740 YBAUAQAKCVIZJK-CXUHLZMHSA-N 454.439 2.706 5 40 JFBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCCCO 8743349 PXDCBAZSWWAXPQ-ZJSXRUAMSA-N 462.506 2.924 5 40 JFBB biogenic CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2 9493969 JYOOTYSOYRVPHC-UHFFFAOYSA-N 472.454 2.717 5 40 JFBB COc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] 9585788 RYNIIBPRXVNPEQ-UHFFFAOYSA-N 491.522 2.964 5 40 JFBB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271360 YRZVOUCYPLOHJY-UHFFFAOYSA-N 454.464 2.665 5 40 JFBB Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851664 BJZGBHAJOKWAMJ-ZHSNQQFMSA-N 466.881 2.988 5 40 JFBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409211780 OEONXBNOEMZVEK-UHFFFAOYSA-N 454.512 2.739 5 40 JFBB O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c([N+](=O)[O-])c1 1668429 WQZYYJRVBIQUGH-UHFFFAOYSA-N 497.515 2.799 5 40 JFBB in-vitro CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1cc(C)cc(C)c1 31937043 PJVSZMONAKTMAZ-NFFVHWSESA-N 474.517 2.830 5 40 JFBB Cc1ccc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 89651207 LCMHCZUBZPVRSQ-UHFFFAOYSA-N 474.539 2.836 5 40 JFBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-c1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] 95832033 DAKJWQDVVRIVKB-UHFFFAOYSA-N 450.272 2.560 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc2c(c1)sc(=O)n2C)S(C)(=O)=O 260902787 VVPHXSNTENSNHH-GFCCVEGCSA-N 464.525 2.610 5 40 JFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 9291700 XXWKSNVKMKXXDP-KRWDZBQOSA-N 483.340 2.952 5 40 JFBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 19856271 FXENKRQHXQHLFZ-UHFFFAOYSA-N 469.475 2.835 5 40 JFBB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225004217 UITMHQDVIJVMRW-INIZCTEOSA-N 459.499 2.934 5 40 JFBB CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 2658619 LBQQBGPBMHJETB-UHFFFAOYSA-N 450.469 2.849 5 40 JFBB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12 4076551 DFQHYXIJNDNMDW-UHFFFAOYSA-N 479.514 2.923 5 40 JFBB COc1ccc(NC(=O)CSc2nnc(CC(=O)Nc3ccccc3F)n2C)c([N+](=O)[O-])c1 9327703 DKZDAPGRDCVQLO-UHFFFAOYSA-N 474.474 2.783 5 40 JFBB O=C(CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1cccc([N+](=O)[O-])c1 32903014 CEZPHYXMXFNFBH-UHFFFAOYSA-N 486.472 2.949 5 40 JFBB O=C(CCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] 32903015 YYNLPOARLHJVFO-UHFFFAOYSA-N 486.472 2.949 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCc4ccccc4C3)[nH]c(=O)c21 40390749 AREOKHDJMIYVCC-KRWDZBQOSA-N 474.477 2.614 5 40 JFBB O=[N+]([O-])c1ccc2c(c1)OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCO2 8892729 MPOLKZXHLALNKZ-UHFFFAOYSA-N 450.400 2.765 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCCSCc2ccsc2)CC1 10083851 LDPJHXFLERZTLJ-UHFFFAOYSA-N 484.625 2.914 5 40 JFBB O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 14802815 AFHJVNYTLPFYEE-UHFFFAOYSA-N 452.389 2.976 5 40 JFBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NC[C@H](c1ccc(F)cc1)N1CCOCC1 18047111 CZKGWJKBPSEEML-HXUWFJFHSA-N 472.473 2.612 5 40 JFBB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1C 139121076 RFXPRQULWMLYNF-UKRRQHHQSA-N 454.487 2.820 5 40 JFBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 3438083 NZGFJIPCBALVFW-UHFFFAOYSA-N 461.496 2.955 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 138523889 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O=C1[C@@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H](c1ccc(Br)cc1)N1CCCN21 19170285 UMWVVMADIIPTOC-SQNIBIBYSA-N 457.284 2.893 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 138523722 PHXAZBALPSIOBH-HDICACEKSA-N 463.446 2.795 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408571479 CIMWFPGXHGNOPZ-UHFFFAOYSA-N 487.494 2.517 5 40 JFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409347773 QZCLMUONNMZOFO-VQHVLOKHSA-N 490.406 2.651 5 40 JFBB O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9120096 WCLLENQTHSEBSY-UHFFFAOYSA-N 466.859 2.710 5 40 JFBB COc1cc(C)ccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9210911 ACLCSRLMMFHMBM-UHFFFAOYSA-N 460.450 2.568 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1ccc(OC)cc1 31936728 ABBDYRHOPLETRL-NFFVHWSESA-N 490.516 2.530 5 40 JFBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1cn(-c2ccccc2)nn1 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CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 9579642 XDOIVEKTLAXWOM-RMKNXTFCSA-N 467.887 2.694 5 40 JFBB COc1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(F)F 13149625 ZCHNREWJXNRWDT-UHFFFAOYSA-N 474.438 2.805 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)S(C)(=O)=O 223882904 RRXHMZWWXYBNCL-UHFFFAOYSA-N 479.555 2.862 5 40 JFBB CC[C@@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225062724 NOJCBAJHIGCTMM-AWEZNQCLSA-N 494.551 2.700 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccc(F)cc4)c3[nH]2)CC1 1324823 GIEWCZAEZLNXNM-UHFFFAOYSA-N 477.456 2.630 5 40 JFBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2739070 YWPOJRORVANGBV-ZETCQYMHSA-N 456.322 2.786 5 40 JFBB CCOC(=O)C1=C(CN2CCN(c3ccccc3C)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286427 SPIBPXGCJJFMQH-QHCPKHFHSA-N 479.537 2.897 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc(Cl)c(Cl)c2)C1)Nc1cccc([N+](=O)[O-])c1 138806838 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O=C(O)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)C2=O)cc1 9358856 XOAWLYDXCTYXSQ-GOSISDBHSA-N 492.410 2.766 5 40 JFBB CC(C)C(=O)Nc1cccc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 24211329 CJNCWFWSMQNVOA-UHFFFAOYSA-N 462.528 2.822 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 58162378 JCHAHYOTYKNCFM-IUYQLWOBSA-N 474.539 2.549 5 40 JFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 103557560 SAEDGDGIBNELAE-YASKCIBGSA-N 460.490 2.951 5 40 JFBB C[C@@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104256447 WIIUJIADHMYMHT-VIFPVBQESA-N 464.299 2.722 5 40 JFBB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12 35855595 ONDUZDKAUDVKMM-ZHBILRMLSA-N 460.490 2.749 5 40 JFBB CCOCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101104652 OEUIBLCUAHKJKN-NFFVHWSESA-N 474.517 2.994 5 40 JFBB 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FAXOUJZCNLXNHJ-UHFFFAOYSA-N 477.456 2.630 5 40 JFBB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 22564207 IECBNSBFFDLFSP-UHFFFAOYSA-N 457.512 2.907 5 40 JFBB CCOC(=O)C1=C(C)Oc2ncn3nc(CCn4cc([N+](=O)[O-])cn4)nc3c2[C@H]1c1ccccc1 22711567 GWAKSRDZNUGAMC-IBGZPJMESA-N 475.465 2.833 5 40 JFBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 33751224 RFFLMWAOGLBUMD-WEVVVXLNSA-N 459.436 2.639 5 40 JFBB O=C1O[C@H]([C@H]2CO[C@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C(O)=C1O 103764202 FYICWWAGVCAZSR-AAIMPIBUSA-N 469.450 2.588 5 40 JFBB COc1cc(N2C(=O)[C@H]3ON=C(c4ccc(Br)cc4)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 103991967 VAOUZQHWGAIHCX-RDJZCZTQSA-N 460.240 2.967 5 40 JFBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 409056046 GAHQVUPAFHDYGS-MFOYZWKCSA-N 487.490 2.768 5 40 JFBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 3355808 YOVXROSBIILGMF-KRWDZBQOSA-N 481.914 2.892 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 9411538 JXJJMGSQELOSHD-WUABMQKPSA-N 490.516 2.905 5 40 JFBB biogenic CC(C)NC(=O)CN1CCCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 32803887 VHOVTCYCLHFQGS-UHFFFAOYSA-N 450.337 2.942 5 40 JFBB Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 248337256 PQKBSASVPJIMLH-YWYGCRHHSA-N 466.881 2.988 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(CN2CCCC2)cc1)S(C)(=O)=O 260892554 ZSJDREJKFJGGPA-GOSISDBHSA-N 474.583 2.970 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)c1 408652837 DALWJIZYMLFIBE-WJWAULOUSA-N 493.472 2.934 5 40 JFBB O=C(NCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12 1547138178 MIHLGDVKVUKSMY-JQYFYYESSA-N 471.517 2.633 5 40 JFBB O=C(Nc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](C2)Cn2c3cccc2=O)cc1)c1ccc([N+](=O)[O-])cc1 2145403 DLFPBMMESGGCIY-WMZOPIPTSA-N 494.529 2.817 5 40 JFBB biogenic COCCn1c(C)cc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C 3486614 AYWMBKGZPSJPDQ-UHFFFAOYSA-N 473.511 2.979 5 40 JFBB COc1cc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C(=O)Nc4c(C)cccc42)N2CCC[C@H]32)c(C)cc1[N+](=O)[O-] 16001883 PNDPJSJGPBXDLY-NLJLEJFHSA-N 476.489 2.651 5 40 JFBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@@H]1c1cccc([N+](=O)[O-])c1 20675045 OLOKQVHQVSGRKK-WOJBJXKFSA-N 485.928 2.777 5 40 JFBB CCS(=O)(=O)[C@](Br)(I)[C@H](O)c1cccc([N+](=O)[O-])c1 96521109 OIQQQLDMAWVEDW-NXEZZACHSA-N 464.075 2.547 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 104042034 IDCKTJUEMAKNMI-YMGHSFPGSA-N 460.490 2.951 5 40 JFBB COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6906071 RHOIYUJIVUFNKS-UHFFFAOYSA-N 477.451 2.747 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCCC3=O)cc2)CC1 8762608 GPGUPCMRNRBQCM-UHFFFAOYSA-N 486.550 2.567 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 16038846 LJLCIRYITUIGTM-AKHDSKFASA-N 450.838 2.845 5 40 JFBB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1C 34869158 IXWQEOJVSMXPOP-UHFFFAOYSA-N 466.947 2.810 5 40 JFBB O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Br)cc1 95377518 BIQDOZNYQHBYKA-UHFFFAOYSA-N 475.343 2.822 5 40 JFBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCCCO 2095914 PXDCBAZSWWAXPQ-URXFXBBRSA-N 462.506 2.924 5 40 JFBB biogenic NC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)[C@@H]2C1 14943769 KVVYMIKSWPHUSH-DFFZLKDPSA-N 497.895 2.984 5 40 JFBB COc1cccc(CN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C(=O)NC(C)C)c1 225663572 PTHXOXDCWMASED-INIZCTEOSA-N 459.499 2.933 5 40 JFBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 12819421 KHXVFDPKUFYEOP-INIZCTEOSA-N 489.550 2.986 5 40 JFBB CCOC(=O)C1=C(CN2CCN(c3cccc(OC)c3)CC2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286358 SXVQRAUOJJDEGW-QHCPKHFHSA-N 495.536 2.597 5 40 JFBB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 104011704 VMJHPBIYEYZNKD-QSNWEANLSA-N 452.854 2.679 5 40 JFBB CC[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 225062762 NOJCBAJHIGCTMM-CQSZACIVSA-N 494.551 2.700 5 40 JFBB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C 408543834 RQWSYDWAGRGYGO-UHFFFAOYSA-N 481.538 2.718 5 40 JFBB C[C@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl 3403720 PKDHKLDJMWFUEX-JTQLQIEISA-N 463.805 2.944 5 40 JFBB COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6906074 GFOVSRVLBVKBPY-UHFFFAOYSA-N 477.451 2.747 5 40 JFBB CC(C)NS(=O)(=O)c1ccc(Sc2nnc(N3CCCC3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 12600817 DFLFFBQGRVBXJR-OAHLLOKOSA-N 496.615 2.803 5 40 JFBB O=C(NCCC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 29285403 QTRAJPOGQSDPQX-UHFFFAOYSA-N 480.443 2.958 5 40 JFBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC3CCN(CC(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1 40122902 OMKDCQHGKMXQIT-GOSISDBHSA-N 493.630 2.514 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)c(C)c2)c1 408646925 RKZZXQIGZQRBIO-UHFFFAOYSA-N 450.469 2.566 5 40 JFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408653809 FXDRYIHDGWBHDR-FJAKRLOMSA-N 463.446 2.926 5 40 JFBB COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 108125273 VQECHNTXOIMMOM-UHFFFAOYSA-N 463.512 2.960 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)/C=C/c3ccco3)CC2)c([N+](=O)[O-])c1 408575381 UPIXAAHPNJFTIS-SOFGYWHQSA-N 458.496 2.601 5 40 JFBB CSc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1-c1ccccc1 15554193 PPOPZOULPCJMOJ-UHFFFAOYSA-N 487.563 2.649 5 40 JFBB O=C(O)c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 18199125 MDAGPYMHYFOHMJ-UHFFFAOYSA-N 474.539 2.794 5 40 JFBB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20528880 CXDYLGLMKWTDIO-UHFFFAOYSA-N 451.468 2.850 5 40 JFBB Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2cc1C 21849304 MPOBVSUWMDODJL-UHFFFAOYSA-N 457.508 2.825 5 40 JFBB CCN1CCN(C[C@@H](C)CNc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])CC1 40149304 WOWCAAZOLJJVEG-ZCNNSNEGSA-N 481.663 2.947 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 408680793 GRLKMSANINOMDM-RZTYQLBFSA-N 477.473 2.875 5 40 JFBB O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)NCC1CCCCC1 9493048 JQXHKFGQUYYVHN-UHFFFAOYSA-N 450.517 2.775 5 40 JFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCCN21 35843992 HDZMGJGHYPKOTD-OAWZGRKZSA-N 460.490 2.951 5 40 JFBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3cccnc3)c2=N)cc1 101091531 MTBPFNYNQCSAES-UHFFFAOYSA-N 494.555 2.861 5 40 JFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 102117124 DBMYUMQOFSECNK-ZDUSSCGKSA-N 488.457 2.837 5 40 JFBB CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 106014495 LFTROCONTVASFP-SUWCGCSTSA-N 454.870 2.829 5 40 JFBB C[C@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224794799 BRWNMJAUHUTIBF-QGZVFWFLSA-N 460.556 2.662 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408640048 ADUDXBIEMIGDCI-KLDKWKSESA-N 475.457 2.651 5 40 JFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 9291699 XXWKSNVKMKXXDP-QGZVFWFLSA-N 483.340 2.952 5 40 JFBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1 10256472 HOIYBRJXCOWNHG-UHFFFAOYSA-N 478.900 2.794 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 15999190 SQZXOKMELVCJJJ-RQXXJAGISA-N 497.305 2.789 5 40 JFBB Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 103548793 PQKBSASVPJIMLH-SAQZZPNQSA-N 466.881 2.988 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccccc2OC)C1 12861851 SPICSHHLFQVMLT-UONOGXRCSA-N 457.439 2.535 5 40 JFBB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12 103996277 JBEVVQKBUZUCMO-ZQDYSYBYSA-N 466.519 2.581 5 40 JFBB CCOc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 9509488 SAARQEBQKHDSTC-JOCHJYFZSA-N 456.455 2.798 5 40 JFBB C[C@H](NC[C@@H](O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc(F)cc1 9703984 NRAIKDIGDCVUEV-MAUKXSAKSA-N 467.519 2.609 5 40 JFBB CCOC(=O)C[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 12413206 LAPZUYWROUFASB-QGZVFWFLSA-N 458.862 2.712 5 40 JFBB COc1ccc(NC(=O)CCN2CCN(Cc3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 26187130 DWWRTUDXOWWBIH-UHFFFAOYSA-N 466.498 2.800 5 40 JFBB COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N 101250293 OTNGLKKETSKZIX-UHFFFAOYSA-N 451.914 2.597 5 40 JFBB COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 260743559 LHOJOYABEOPREE-GJZGRUSLSA-N 465.528 2.952 5 40 JFBB CC(=O)O[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4974280 QAXOQZLKUZSIFK-FHWLQOOXSA-N 474.378 2.564 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1cccc([N+](=O)[O-])c1 13773965 LYJBOMFOGNLQKC-FYXHJSOBSA-N 455.517 2.768 5 40 JFBB CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 16785408 NSLKADALRRZUJQ-UHFFFAOYSA-N 492.554 2.865 5 40 JFBB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32966608 IVAGCEPEGWUOEM-UHFFFAOYSA-N 462.890 2.804 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C1CC1 103629574 UFUHMPHYNQPANR-NFFVHWSESA-N 456.502 2.906 5 40 JFBB Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 3452609 RKDVPWHNDZWCAL-UHFFFAOYSA-N 479.493 2.828 5 40 JFBB 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O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 15996855 ZJCOKKWMBTWXAE-DVSDUFGPSA-N 452.854 2.679 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NC(=O)N1CCOCC1)C(Cl)(Cl)Cl 28293926 NRZUNRTYNSRCTD-GFCCVEGCSA-N 486.765 2.628 5 40 JFBB COCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 103458683 SDBAWQIYLPPPNL-GXRSIYKFSA-N 461.474 2.699 5 40 JFBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409064452 CVJBRZNBYSTXIW-ONUAPLEPSA-N 478.220 2.503 5 40 JFBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 12824180 MQYLJOWJGGQSGC-UHFFFAOYSA-N 489.550 2.963 5 40 JFBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)cc1 40399910 LARWFBZMWKZUDW-OAHLLOKOSA-N 464.438 2.803 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1ccc(F)cc1 101176757 QTAOUYVJQXPETG-SLMZUGIISA-N 478.480 2.743 5 40 JFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 103769255 KZYCPWSVXQWNHE-WBVHZDCISA-N 457.240 2.681 5 40 JFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 15009247 IIHHKFFRGCRQLB-VQHVLOKHSA-N 452.423 2.889 5 40 JFBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCN1CCOCC1)[C@@H]3c1cccc([N+](=O)[O-])c1 20308445 NIRWOLQNGXFBPV-OAQYLSRUSA-N 465.462 2.587 5 40 JFBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 62417803 MQYOGDGGPQEWKP-AWEZNQCLSA-N 486.472 2.947 5 40 JFBB COCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100707418 DDYJFELZSMDJQU-UHFFFAOYSA-N 472.954 2.960 5 40 JFBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCCO2 9064503 CZCBWDRXSRKIOK-UHFFFAOYSA-N 462.915 2.856 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9332299 VMUQMFUXIVMSOG-MVOHMCPASA-N 460.490 2.897 5 40 JFBB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)N1C(=O)c2ccccc2C1=O 9883558 FWUSDMLQMUGSHH-SFHVURJKSA-N 457.414 2.927 5 40 JFBB CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] 9963857 UHACOVGRDRPISG-CYBMUJFWSA-N 452.510 2.718 5 40 JFBB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 10557713 YGLQNOBCVYOALD-UHFFFAOYSA-N 461.404 2.616 5 40 JFBB CC(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])c1 12636225 AUVPRSJHRMCPFQ-UHFFFAOYSA-N 452.577 2.901 5 40 JFBB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 33683871 CXGSVMWFLLYSRC-RVDMUPIBSA-N 451.457 2.749 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](Cc3ccc(O)cc3)N[C@]3(C(=O)Nc4ccccc43)[C@H]2C1=O 106014459 OUHKGQMISZFWAN-WAHZDWKKSA-N 498.495 2.777 5 40 JFBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)OC)c1 409126580 CUXAASLEUXJJED-UHFFFAOYSA-N 498.521 2.654 5 40 JFBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 4125238 QEJMXLUAPGKYMI-UHFFFAOYSA-N 475.889 2.955 5 40 JFBB CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 6232908 XWNBYCLNUZWIKB-KNQAVFIVSA-N 467.503 2.555 5 40 JFBB Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)c1 9187051 VIKGSKDCLWACFL-OKAYXYTKSA-N 464.478 2.711 5 40 JFBB COc1cc(NC(=O)COC(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)c(C)cc1[N+](=O)[O-] 12542739 DQHPHLKYOYYFFJ-FQEVSTJZSA-N 469.450 2.714 5 40 JFBB CCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccc(OC)cc3)[nH]c(=O)c21 40399975 ALIHUXIMMRRBAM-HNNXBMFYSA-N 494.464 2.894 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(Nc3ccn(Cc4ccccc4)n3)c([N+](=O)[O-])c2)CC1 58306799 PYRQJTRIIPSCIM-UHFFFAOYSA-N 456.528 2.519 5 40 JFBB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 138085578 UGXIRDRIDKPLNX-FXKZBUDASA-N 466.881 2.988 5 40 JFBB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 223300497 LHOJOYABEOPREE-HUUCEWRRSA-N 465.528 2.952 5 40 JFBB CC(C)n1nccc1NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9051998 LGOSGYXNCPLLGV-CQSZACIVSA-N 451.505 2.563 5 40 JFBB CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])CC2)cc1 9511962 UDGRQZALLUCISO-UHFFFAOYSA-N 458.540 2.909 5 40 JFBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 22569104 OHJDETRFAYTDQU-UHFFFAOYSA-N 461.525 2.710 5 40 JFBB O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)s1)OCC(=O)c1cccc([N+](=O)[O-])c1 3328948 HBWURBNCHJOSPM-UHFFFAOYSA-N 452.510 2.800 5 40 JFBB O=C(COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3378615 UXTLLXUIUCWQTE-UHFFFAOYSA-N 477.882 2.862 5 40 JFBB CCOC(=O)c1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 224789646 SOHRCNMMRJEFSO-UHFFFAOYSA-N 450.469 2.757 5 40 JFBB CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 16682637 YIQFDRMKHJZGSR-WBVHZDCISA-N 487.266 2.655 5 40 JFBB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])cc1OC(F)F 32237336 QLHPBWLLMPEGOH-UHFFFAOYSA-N 479.436 2.934 5 40 JFBB O=C(CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)Nc1cccc([N+](=O)[O-])c1 35510814 XSBPZGVMRVXUEW-UHFFFAOYSA-N 454.508 2.693 5 40 JFBB COc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 224936162 GMXKKSNJFSBPFU-UHFFFAOYSA-N 485.946 2.998 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 408645719 HXDWDJVQXVILDF-YXUGBTPSSA-N 451.460 2.704 5 40 JFBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408678146 CQKHWVXSQCLTMN-SLUIBLPYSA-N 462.418 2.868 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc(F)cc1 408686324 ROXVNUMUKKHMAS-IRXDYDNUSA-N 451.410 2.925 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3[N+](=O)[O-])c(=O)n2[C@H]1c1cccs1 2665756 CIMJLRDXBOIITI-QMJOVRGKSA-N 455.517 2.768 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(Cl)cc43)[C@@H]2C1=O 13816876 VPOUDYAYYVYREA-NARGUJOISA-N 496.907 2.996 5 40 JFBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@H]3CCCO3)c2=N)cc1 101158611 SYKOSBVGMHBWKS-LJQANCHMSA-N 473.533 2.555 5 40 JFBB O=C(COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O)Nc1cc([N+](=O)[O-])ccc1F 3247652 BIJJBLTUGYBFOZ-UHFFFAOYSA-N 484.417 2.907 5 40 JFBB CSCC[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]12 16010066 PABJJFGGOMAVAZ-YRAONVGVSA-N 466.519 2.581 5 40 JFBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccc(C(=O)OC)o2)[C@@H]1O 100745587 SELXDTMKKYESFY-RZQXIKTCSA-N 465.570 2.649 5 40 JFBB O=C(CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1)Nc1ccccc1 23141628 OZQCSIBFKBYVGL-UHFFFAOYSA-N 474.524 2.733 5 40 JFBB O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 56959538 QFXDFCUIYKPQGT-HSZRJFAPSA-N 492.511 2.747 5 40 JFBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)NCc1ccc2c(c1)OCO2 9829070 BLHLEVQHIVCQIN-UHFFFAOYSA-N 464.463 2.837 5 40 JFBB O=C([C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24744815 AEMROMRQYBTBRF-LJQANCHMSA-N 496.948 2.889 5 40 JFBB O=C(Nc1cccc(CN2CCOCC2)c1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619310 ZWWUYCCATNQBAV-UHFFFAOYSA-N 459.466 2.784 5 40 JFBB CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)[C@H]3C[C@]21O 61996987 AIXNJADSSZEICA-DILCGNMASA-N 487.597 2.995 5 40 JFBB biogenic O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(F)cc1 408644127 GVVRPUJYLHBEBB-LVNJIZSUSA-N 463.421 2.781 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409143724 GZSBOZGEFMGJKI-OXRZLYTFSA-N 453.476 2.608 5 40 JFBB Cc1c(C)c2ccc(OCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)c(C)c2oc1=O 1547208844 JOWCVFSAPNILJE-SJORKVTESA-N 479.489 2.813 5 40 JFBB biogenic O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)c(Cl)c1 941692 YEBVMKYUSGGIJC-UHFFFAOYSA-N 452.206 2.680 5 40 JFBB CCCOc1ccc(N2C(=O)C[C@H](NC3CCN(c4ccc([N+](=O)[O-])cn4)CC3)C2=O)cc1 18217952 LLMCYTFTQPANLJ-FQEVSTJZSA-N 453.499 2.669 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N\C(=O)c1cccc(OC)c1 101176773 WMHHCLWTZDOWGB-NFFVHWSESA-N 490.516 2.612 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 408678843 DLSASRNYNAKHRW-BGYRXZFFSA-N 463.446 2.795 5 40 JFBB NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 110572264 YOKYSNFTJVXTCJ-RIFZZMRRSA-N 450.561 2.782 5 40 JFBB O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408674503 ZUVKJWHGTLKGMO-NXEUSJOTSA-N 487.468 2.865 5 40 JFBB COc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(OC)c1OC 15674871 ZGRSVNRPZWNQLB-SJORKVTESA-N 456.455 2.979 5 40 JFBB biogenic,in-vitro Cc1cc(NC(=O)CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc2c1c(=O)oc1ccccc12 100707659 ZSKOVVCMOOHWMH-IRXDYDNUSA-N 456.502 2.869 5 40 JFBB 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O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21 103458842 XSLPSLPSPPJQQY-UTCUMILBSA-N 473.485 2.842 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408680323 GDCYBRNAFUXSOB-IRXDYDNUSA-N 478.417 2.694 5 40 JFBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2739071 YWPOJRORVANGBV-SSDOTTSWSA-N 456.322 2.786 5 40 JFBB O=C(CCN1C(=O)c2ccccc2C1=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9891369 ATJAJYJLMDGIAG-UHFFFAOYSA-N 450.373 2.828 5 40 JFBB O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10042578 DDGHDLINNAOPGL-UHFFFAOYSA-N 463.446 2.977 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 16520668 MFZJMRFGOMTIBT-UHFFFAOYSA-N 467.931 2.930 5 40 JFBB COc1ccc(CN2CCN(C(=O)[C@H](CC(C)C)N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 32747633 NGCGBLJHRGPLSC-QFIPXVFZSA-N 494.548 2.959 5 40 JFBB COc1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3)n2C)c([N+](=O)[O-])c1 409140873 SZLWNJFMBFBJAY-CYBMUJFWSA-N 470.511 2.954 5 40 JFBB O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)cc1 586106486 MLAHEVIIBRPTJV-OZIGNCPNSA-N 457.552 2.953 5 40 JFBB O=C(N=P(c1ccccc1)(N1CCOCC1)N1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9086710 WRKQTTRNSMPGKN-UHFFFAOYSA-N 489.425 2.664 5 40 JFBB Cc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nn12 9142266 OHXITYDFHSOWBQ-UHFFFAOYSA-N 453.509 2.874 5 40 JFBB CS(=O)(=O)N(CC(=O)NCc1ccc(CN2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 44873996 OLAHSUSOIFPQIU-UHFFFAOYSA-N 460.556 2.663 5 40 JFBB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222911025 YPFHDEADRBIXNE-OAHLLOKOSA-N 496.973 2.568 5 40 JFBB CC(C)Cn1cnc2c1c(=O)n(CC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1 9128146 RANCRQUMMPZIOD-UHFFFAOYSA-N 494.483 2.750 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C1=O 9359373 HUESUTSWNOZRIV-AEFRCRGFSA-N 466.881 2.988 5 40 JFBB COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCOC(C)C)c2=N)cc1 100757411 YMMYRDYGYRGENG-UHFFFAOYSA-N 475.549 2.882 5 40 JFBB biogenic CCOC(=O)c1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9906150 YAUBEUCXPKKLNB-UHFFFAOYSA-N 484.509 2.697 5 40 JFBB CC(C)NS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)N2CCN(C)CC2)c([N+](=O)[O-])c1 13030156 ADKVMHJPGWIHAI-IBGZPJMESA-N 467.617 2.744 5 40 JFBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 9986028 LLTJXXHAPVZBMH-UHFFFAOYSA-N 491.356 2.721 5 40 JFBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ncnc3c2nnn3-c2cccc(F)c2)CC1 10256373 UYFZHIUSUPRWLV-UHFFFAOYSA-N 482.863 2.874 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(C)(=O)=O 10315335 ZWBPDTKZZMWMRL-UHFFFAOYSA-N 460.556 2.635 5 40 JFBB O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 35907725 BBOQIOGRZHSCRD-ORNCYZNGSA-N 462.458 2.746 5 40 JFBB O=C(Nc1ccc(S(=O)(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1)c1ccc([N+](=O)[O-])cc1 102449427 DLFPBMMESGGCIY-SJLPKXTDSA-N 494.529 2.817 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(O)cc3)c(=O)n2[C@H]1c1ccc(C)c([N+](=O)[O-])c1 409354270 BFZNMXJRWKGLKM-MRCZTLKWSA-N 479.514 2.721 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C 409160101 XMDINNMBPBIFFG-UHFFFAOYSA-N 454.512 2.621 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CSc1nnnn1-c1cc(C)ccc1C 3268859 QKKNZAKGGWECRY-AWEZNQCLSA-N 486.510 2.858 5 40 JFBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 9633921 RQSMTVJQTZZTNX-LBPRGKRZSA-N 459.436 2.686 5 40 JFBB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 225423394 JYBUEOQUUYSVLS-ZIAGYGMSSA-N 451.501 2.644 5 40 JFBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCCN1CCOCC1 8792230 AFTHRBGPRIHXQX-UHFFFAOYSA-N 470.529 2.809 5 40 JFBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(I)c1 9768166 YLIYZMOYIMSDSK-UHFFFAOYSA-N 489.291 2.964 5 40 JFBB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 35851938 SBQMKEFZFIFYDD-TXXWUTRGSA-N 452.854 2.679 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 36322387 MAJKJAPXJXDIHT-OBZTUIKSSA-N 453.426 2.578 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN12 103523564 LJLCIRYITUIGTM-MKXGPGLRSA-N 450.838 2.845 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c(C)cc(C)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 9357179 DCDMBJTUWWNVQF-WYMULPSZSA-N 490.516 2.960 5 40 JFBB Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 12784916 ZWHCZPKWVSTBND-FXAWDEMLSA-N 473.555 2.555 5 40 JFBB C[C@@H]1O[C@H](C)CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N([C@H](C)c4ccccc4)C3=O)[C@H]12 102783563 LILWEPVXLOLOAV-TZOUTZMRSA-N 478.505 2.959 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C(=O)N2CCOCC2)c2ccccc2)c([N+](=O)[O-])c1 9666745 BIYYTVSDULMHML-NRFANRHFSA-N 477.539 2.604 5 40 JFBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256356 ZBYNAXKNBHSMTJ-UHFFFAOYSA-N 482.863 2.874 5 40 JFBB CCN1C(=O)[C@]2(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCCN12 247986753 JXRUVWHDCWOPEW-QNGCPFJASA-N 460.490 2.749 5 40 JFBB CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1ccc2cc(Br)c([N+](=O)[O-])cc21 973033 PXIOXYQPNAXNHQ-XWSJACJDSA-N 499.270 2.636 5 40 JFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 59416441 KZYCPWSVXQWNHE-RDJZCZTQSA-N 457.240 2.681 5 40 JFBB O=C1O[C@H]([C@@H]2CO[C@@H](c3ccc(N4CCN(c5ccccc5)CC4)c([N+](=O)[O-])c3)O2)C(O)=C1O 103764204 FYICWWAGVCAZSR-QTGUNEKASA-N 469.450 2.588 5 40 JFBB CCn1c(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)nnc1-c1ccccc1 408543277 NSGGXRBJHHNQBJ-UHFFFAOYSA-N 467.511 2.794 5 40 JFBB CCN(CC)C(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC 409095806 IFWPIDLHOWGQQR-DOIQENQNSA-N 496.545 2.613 5 40 JFBB O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)c([N+](=O)[O-])c1 3348650 PYAFHXUVLJXJDF-UHFFFAOYSA-N 485.877 2.967 5 40 JFBB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 16084422 KYDRLDSGXACWRT-QGZVFWFLSA-N 464.496 2.772 5 40 JFBB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222911060 YPFHDEADRBIXNE-HNNXBMFYSA-N 496.973 2.568 5 40 JFBB COc1cccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224854585 OMUCSTYVSRHPJB-UHFFFAOYSA-N 465.528 2.653 5 40 JFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nnc(N2CCOCC2)n1C1CC1 22530322 MWROOQCKFSKHEA-UHFFFAOYSA-N 494.599 2.684 5 40 JFBB Cc1cccn2c(=O)c3cc(S(=O)(=O)c4ccc(F)cc4)c(=N)n(C[C@H]4CCCO4)c3nc12 100943737 SNIVCZACWLURSA-MRXNPFEDSA-N 468.510 2.588 5 40 JFBB O=C(NCCc1ccccn1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@H](Cn4c3cccc4=O)[C@@H]12 1547138187 ZKTBSRJBFYJOMC-WPZDSEGWSA-N 485.544 2.675 5 40 JFBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 9562506 CMSUERULVHBLQN-UHFFFAOYSA-N 463.443 2.617 5 40 JFBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 12552920 PHCHOEHTHCHNQT-UHFFFAOYSA-N 453.904 2.621 5 40 JFBB Nc1nc(N2CCN(c3ccccc3)CC2)nc(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 15906870 MMVSSQOGCWUVFN-UHFFFAOYSA-N 460.542 2.620 5 40 JFBB O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20616746 HTYXGXGGGCBIAP-UHFFFAOYSA-N 465.510 2.507 5 40 JFBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224654410 JMPWQTFEIOUGLP-GOSISDBHSA-N 490.582 2.613 5 40 JFBB CN(CC(=O)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 8687831 RFRWKCBKRCYTAH-UHFFFAOYSA-N 450.492 2.983 5 40 JFBB Cc1c(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 12591015 SEPAMFLGGVWJQN-WSYSLRRZSA-N 450.451 2.976 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 19159384 AOAGAYBYBBEEDM-UHFFFAOYSA-N 455.876 2.530 5 40 JFBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3cc([N+](=O)[O-])ccc3O)[C@H]2C(=O)N1c1ccccc1 101027446 CXJBOGIOWQBSGB-LZWOXQAQSA-N 455.473 2.846 5 40 JFBB O=C(CCn1nc(C(F)(F)F)c(Br)c1C1CC1)NCCn1cc([N+](=O)[O-])cn1 2777880 XXDBSIUQUYOPLK-UHFFFAOYSA-N 465.230 2.853 5 40 JFBB CC(=O)O[C@H]1CO[C@@H](n2ccc3cc(Br)c([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 5733154 PXIOXYQPNAXNHQ-WJFTUGDTSA-N 499.270 2.636 5 40 JFBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1)c1ccccc1Cl 8832700 MURDRYKOWSOFAM-UHFFFAOYSA-N 489.985 2.922 5 40 JFBB O=C1CCC(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c2ccccc2)=NN1 9539599 RXJCIOXJKWDJCA-QGZVFWFLSA-N 475.255 2.846 5 40 JFBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224279448 SCKWJFGITNPYGH-UHFFFAOYSA-N 453.904 2.842 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cc(C)cc43)[C@H]2C1=O 248331050 GKDNGYRMOYIJID-LOJFUVEFSA-N 476.489 2.651 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1cccs1 408645199 HTCWQPQGJMMILZ-KODHJQJWSA-N 453.476 2.928 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 408882345 NNFHZCIZZMRDSW-CNSVBDKNSA-N 494.529 2.736 5 40 JFBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)N1CCN(c2ccccc2)CC1 409010403 DSXYAZQOKCHDEP-XMHGGMMESA-N 452.492 2.980 5 40 JFBB CSc1ncc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1-c1ccccc1 12574942 PZMPQSIOPANGGB-UHFFFAOYSA-N 487.563 2.649 5 40 JFBB COC(=O)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 14872049 SVRNWMGDYHFIFG-UHFFFAOYSA-N 462.480 2.696 5 40 JFBB CCOC(=O)[C@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1cccc([N+](=O)[O-])c1 20675051 OLOKQVHQVSGRKK-UXHICEINSA-N 485.928 2.777 5 40 JFBB CC(C)c1ccc(-c2noc(CCC(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 62566401 IJFDDNXRIWEJBU-UHFFFAOYSA-N 487.538 2.796 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cccs1 408787174 SZKJTEVVEJXDRU-XGHXRCDJSA-N 485.543 2.777 5 40 JFBB O=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 408847570 NOEMNMAUOUIBHX-QGZVFWFLSA-N 452.872 2.827 5 40 JFBB Cc1ccc(NC(=O)Cn2c(=O)c3c(ncn3CC(C)C)n(Cc3ccccc3)c2=O)c([N+](=O)[O-])c1 9119947 BXQZMZHRAUWHHR-UHFFFAOYSA-N 490.520 2.919 5 40 JFBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@H](C)O1 9450826 LUOMEPYOYBJMST-RQOZVNRLSA-N 468.441 2.542 5 40 JFBB C[C@@H](C(=O)NCc1ccccc1CN1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224794760 BRWNMJAUHUTIBF-KRWDZBQOSA-N 460.556 2.662 5 40 JFBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408679829 FJIJBLSOTLTDAQ-SLUIBLPYSA-N 462.418 2.868 5 40 JFBB CCOC(=O)[C@@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(C)cc1 6547584 HNZJFOWHIMUVTL-GOSISDBHSA-N 457.483 2.921 5 40 JFBB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 9883477 NTIBOYYUJMTONA-SNVBAGLBSA-N 476.294 2.750 5 40 JFBB CCc1ccc(NC(=O)CCn2c(=O)oc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1[N+](=O)[O-] 23112429 ZIIPPLORDQTXJM-UHFFFAOYSA-N 488.522 2.878 5 40 JFBB COC(=O)c1c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCCCC2 8826385 JFUOKDPFTRYPDD-UHFFFAOYSA-N 491.522 2.912 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1ccccc1 9222361 ZWJZJMLLAYEYEQ-HPNDGRJYSA-N 460.490 2.522 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 103458738 JKWZQGHMTWIUEM-CLAROIROSA-N 461.474 2.699 5 40 JFBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCOCC1 214652973 UBXMRQBFCQXLKH-GZTJUZNOSA-N 470.463 2.677 5 40 JFBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCCC1=O 408674339 ZFHDGTFGHATGRD-OAHLLOKOSA-N 451.435 2.905 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(OC)cc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 408731947 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C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408653356 PPGHKGQZIFVXKY-MMACOIQUSA-N 492.444 2.940 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)O[C@H](C)C(=O)NC2CCCCC2)CC1 8774920 NDZVLFFEQSSPMS-MRXNPFEDSA-N 481.571 2.685 5 40 JFBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 9684000 LCKJTXJHBXEQIS-UHFFFAOYSA-N 474.539 2.918 5 40 JFBB O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3cc([N+](=O)[O-])ccc3O)[C@@H]2C(=O)N1c1ccccc1 102723174 CXJBOGIOWQBSGB-IJEWVQPXSA-N 455.473 2.846 5 40 JFBB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223666984 GPKFQHCZUQINCB-GOSISDBHSA-N 490.582 2.531 5 40 JFBB CCOC(=O)CN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784384 AFEPBKCHWCRCPI-UHFFFAOYSA-N 450.469 2.757 5 40 JFBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)N4CCOCC4)cc3c3ccnc2c31 524732254 WSOXXMMBTMXGQM-UHFFFAOYSA-N 473.485 2.847 5 40 JFBB biogenic 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Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 104011819 PBVSOIVDCRGCAE-NZQNYPKQSA-N 466.881 2.988 5 40 JFBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1C 107744339 QTSICVAMLPDUMZ-UHFFFAOYSA-N 483.594 2.885 5 40 JFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408673100 YQJIMVOURWZXMS-GFCCVEGCSA-N 492.282 2.901 5 40 JFBB O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CNC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)cc1 586106493 MLAHEVIIBRPTJV-ZVVDCOBXSA-N 457.552 2.953 5 40 JFBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1C[C@H]1CCCO1 9137227 BTXRTYMJKSAGFF-JKHABCDFSA-N 460.490 2.940 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 16011898 SBQMKEFZFIFYDD-DVSDUFGPSA-N 452.854 2.679 5 40 JFBB Cc1cccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c2C)c1 24750841 OCTIXIFNUIKFPM-UHFFFAOYSA-N 469.523 2.544 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 138075462 QOZZZKKZISDQMQ-LOJFUVEFSA-N 460.490 2.951 5 40 JFBB COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 223324849 IONPERKVSWKZDE-CQSZACIVSA-N 451.501 2.564 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1cccs1 408665825 ZMCSJWULHZITAS-OPLYSGQSSA-N 477.498 2.950 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1cccc([N+](=O)[O-])c1 408729109 AOHIATGHCDFIGA-OLROSQPISA-N 494.485 2.724 5 40 JFBB O=C(NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O)c1cccc([N+](=O)[O-])c1 8435493 QPKAGGJLXJJLSC-UHFFFAOYSA-N 451.307 2.505 5 40 JFBB O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10042424 KZBNSERFTJVKOZ-UHFFFAOYSA-N 499.501 2.525 5 40 JFBB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 13750687 KFEVPYJQFFLOEZ-YDGKCNFYSA-N 452.854 2.679 5 40 JFBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 34721721 YEUNPGOEMAUBAH-LBPRGKRZSA-N 458.949 2.643 5 40 JFBB COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1c3ccccc3C(C)=C[C@H]21 103458682 SDBAWQIYLPPPNL-CIAFKFPVSA-N 461.474 2.699 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1cc(C)ccc1C)S(C)(=O)=O 224038731 QCAGHAJMQPZYPP-UHFFFAOYSA-N 479.555 2.962 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)c(Cl)c1 408652726 HBVVLACZNHFFHG-LBPRGKRZSA-N 495.275 2.577 5 40 JFBB CCc1nnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)s1 9510220 XIOSFXNJIGLOIC-UHFFFAOYSA-N 459.937 2.702 5 40 JFBB O=C(C1=NN[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12)C(c1ccccc1)c1ccccc1 18140039 QLVMKFOOVXMGRQ-UNMCSNQZSA-N 454.442 2.813 5 40 JFBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@@H](C)[C@H]43)C2=O)c1 102782285 VIKGSKDCLWACFL-MIJFPBIKSA-N 464.478 2.711 5 40 JFBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)c1 2630658 NTVBNXUZWGFMCG-UHFFFAOYSA-N 462.557 2.890 5 40 JFBB CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 6547777 IWAKIFCVIHCLTG-KRWDZBQOSA-N 488.453 2.521 5 40 JFBB CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])N1CCOCC1 12558021 FYGKKPRTCRGJRR-UTKZUKDTSA-N 454.593 2.784 5 40 JFBB COc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])c1 25146749 ZYAJEZIODJMGFH-UHFFFAOYSA-N 450.498 2.851 5 40 JFBB CCc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409135689 RSOXYCMCECEHNX-UHFFFAOYSA-N 454.512 2.947 5 40 JFBB COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1[N+](=O)[O-] 12747771 ORUCWKMVWVXDRM-UHFFFAOYSA-N 459.524 2.629 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O 16000677 QOZZZKKZISDQMQ-BPJRARJCSA-N 460.490 2.951 5 40 JFBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCOCC1 26117677 RCSLQVNJFOBSAZ-UHFFFAOYSA-N 451.526 2.898 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCCN21 35855493 NVRLWMYLXRFBHU-DRCLYLBJSA-N 476.489 2.597 5 40 JFBB COc1ccc(C)cc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409133217 MYNWYWJDFBJXCV-UHFFFAOYSA-N 470.511 2.701 5 40 JFBB CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 8720490 BJAJSIFCUXEQIA-MRXNPFEDSA-N 462.576 2.983 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 12926175 ADESQJORIXRNEY-MRXNPFEDSA-N 489.550 2.953 5 40 JFBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc(C(=O)O)c1 409128205 HSHZRVLMOHKBPT-UHFFFAOYSA-N 484.494 2.565 5 40 JFBB COc1cc(C(=O)N2C[C@H](C(=O)N(C)C)Oc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 22087644 GSSOGIAFIHEBKL-QGZVFWFLSA-N 451.382 2.701 5 40 JFBB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 25171509 AAGKXBHVXBVRCJ-UHFFFAOYSA-N 471.901 2.984 5 40 JFBB 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O=C1[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 49717461 FAUSJBUQIDAASR-KANGHSEISA-N 452.854 2.679 5 40 JFBB NC(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 58161243 YOKYSNFTJVXTCJ-OXFYSEKESA-N 450.561 2.782 5 40 JFBB CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1[N+](=O)[O-] 62569419 CSLOTJMNUOHKQN-UHFFFAOYSA-N 494.378 2.816 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-] 248074483 AVUFFTGHFWROBV-MGXMAZEZSA-N 496.907 2.996 5 40 JFBB O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1 2809560 OPABWNVVYXACLX-UHFFFAOYSA-N 495.970 2.701 5 40 JFBB COC[C@@H](C)NS(=O)(=O)c1ccc(N2CCN(c3ccc(C(C)=O)cc3F)CC2)c([N+](=O)[O-])c1 12554357 NALOJFLGXDOFIG-OAHLLOKOSA-N 494.545 2.576 5 40 JFBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)n1 10077332 OFYQQMDBKACYET-UHFFFAOYSA-N 495.564 2.651 5 40 JFBB 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CCOC(=O)[C@@H]1C(=O)N=C(N2CCN(c3ccc(Cl)cc3)CC2)N[C@H]1c1ccc([N+](=O)[O-])cc1 20801207 ARNRBNIXQWNHKZ-PMACEKPBSA-N 485.928 2.777 5 40 JFBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCOC(C)C)c2=N)cc1 101235986 IKNJAAZKUZOURB-UHFFFAOYSA-N 489.576 2.925 5 40 JFBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222645534 ABILFTCRTCBMAV-KRWDZBQOSA-N 490.582 2.693 5 40 JFBB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224037380 UAQKDLAQSKIBOX-SFHVURJKSA-N 479.555 2.960 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 229928680 UHXDDHDGRBUDMU-SUWCGCSTSA-N 470.844 2.819 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1646343227 VQWHHAYDTFKTFS-PKOBYXMFSA-N 458.519 2.568 5 40 JFBB Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 15109235 PRXCPTUARXHKHX-HSZRJFAPSA-N 490.472 2.771 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 16000101 CONYIHALNVAMEH-DOGKRZLPSA-N 496.907 2.996 5 40 JFBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Cl 20153294 YJWNTOSMMHWAPF-UHFFFAOYSA-N 464.887 2.910 5 40 JFBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1 103629062 MIRBWNXJNCQDMK-DAAIQYDRSA-N 452.511 2.622 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccc(F)cc1)S(C)(=O)=O 224855187 OSGDUGQHBLNQEU-UHFFFAOYSA-N 453.492 2.784 5 40 JFBB COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 408547985 BJOKPKHSBYWHCK-LZYBPNLTSA-N 475.841 2.902 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@H]2C1=O 33667652 NQGWQFJZOSDLMT-PAXILDSZSA-N 496.907 2.996 5 40 JFBB O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 56959516 HVARJEVVLDSTMI-HSZRJFAPSA-N 474.521 2.608 5 40 JFBB NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCC2 22747709 SIDXNMSQQFUXDB-UHFFFAOYSA-N 489.579 2.597 5 40 JFBB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 96931178 FMIGKOCEMCLWSC-NRFANRHFSA-N 488.592 2.998 5 40 JFBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4cccc([N+](=O)[O-])c4)[C@H]23)cc1 100204977 GXKGBBWXPSOKQB-BYNWGJDGSA-N 461.430 2.695 5 40 JFBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8898541 MCOPVCXDFPCVIX-UHFFFAOYSA-N 475.889 2.955 5 40 JFBB Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c([N+](=O)[O-])cc1C 12937696 BONWPPMGXDXHOM-UHFFFAOYSA-N 472.567 2.645 5 40 JFBB O=C(CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 31741314 HATVKPKLYFSHPP-UHFFFAOYSA-N 460.874 2.946 5 40 JFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 35843183 JDYKBEHBYKZQFT-YASKCIBGSA-N 460.490 2.951 5 40 JFBB CCOc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 9127490 XPSSCOQVBJZYSW-CYBMUJFWSA-N 499.929 2.886 5 40 JFBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 9192627 RBOKHQRUICRYDL-UHFFFAOYSA-N 487.582 2.919 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(Cl)cccc43)[C@H]2C1=O 248137408 NTYYQZXCVKCKOM-OMKFPNQOSA-N 482.880 2.688 5 40 JFBB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1 409140752 IJVPUVIRWNSCDH-CYBMUJFWSA-N 470.511 2.959 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccc(F)cc1 1464720 LKLATGALCAJNQF-SQWSFHKJSA-N 467.478 2.846 5 40 JFBB O=C(c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4766526 KQYUGCRFBHLLQC-UHFFFAOYSA-N 499.527 2.803 5 40 JFBB O=C(c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2)N1CCOCC1 12560894 IADFCCOTZLGUQN-UHFFFAOYSA-N 451.526 2.808 5 40 JFBB CC(C)n1c(=O)sc2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 225142538 APKWEQHSSAXXMS-UHFFFAOYSA-N 464.525 2.957 5 40 JFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)c3cccnc3SC)CC2)c([N+](=O)[O-])c1 9490887 HVRUENMIDZFIBC-UHFFFAOYSA-N 493.611 2.705 5 40 JFBB COCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c(=O)n3cccc(C)c3nc21 100940487 FZTQQRRPTFRDBU-UHFFFAOYSA-N 452.536 2.533 5 40 JFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCc2ccccc21 408607534 SWZKPBDHVKEBPR-VQHVLOKHSA-N 464.434 2.943 5 40 JFBB CCOC(=O)C(=CNc1ccc2c(C)cc3ccc(C(=O)OCC)c(=O)n3c2n1)C(=O)OCC 1580277 RJPWUAJHIJOPPJ-UHFFFAOYSA-N 467.478 2.755 5 40 JFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CC(=O)Nc1ccccc1Br 9491360 KZRSUAIMQWTTOO-UHFFFAOYSA-N 451.277 2.875 5 40 JFBB COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 9491606 XQIMKCKMZGVWJT-UHFFFAOYSA-N 451.277 2.875 5 40 JFBB Cc1cccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2C)c1 29505300 BIJASGKMGGUJMM-UHFFFAOYSA-N 469.523 2.544 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1ccncc1 101177299 CZUXVLGBCZGWJQ-XAYXJRQQSA-N 469.457 2.603 5 40 JFBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@H]3CCCO3)c2=N)cc1C 2404748 GCUHHXWCQLSDQO-QGZVFWFLSA-N 464.547 2.757 5 40 JFBB aggregator O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 3259236 ALKRYUKOCWGKEA-UHFFFAOYSA-N 461.645 2.862 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cc(C)cc43)[C@@H]2C1=O 9349779 GKDNGYRMOYIJID-WKVINZIJSA-N 476.489 2.651 5 40 JFBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)CO3)CC1 58265684 MTYXKFKGYKIECZ-UHFFFAOYSA-N 459.480 2.518 5 40 JFBB O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461850 YJHDECQSAKISGM-UHFFFAOYSA-N 457.288 2.900 5 40 JFBB COc1cc([C@H]2OC[C@]3(O)[C@H](c4cc(OC)c(OC)cc4[N+](=O)[O-])OC[C@H]23)c([N+](=O)[O-])cc1OC 253407127 VPOQGWSESRYDJD-PPWPQYEESA-N 492.437 2.728 5 40 JFBB biogenic,in-vitro O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9242416 VMJHPBIYEYZNKD-VDNWNZSNSA-N 452.854 2.679 5 40 JFBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408527746 FMOYDZKUIRXPNJ-NVMNQCDNSA-N 481.490 2.769 5 40 JFBB COC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408613675 XFJDXTCNSCTNDQ-AWEZNQCLSA-N 485.946 2.912 5 40 JFBB CN(C)S(=O)(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 3044923 WLMTYXCEVWGIDD-UHFFFAOYSA-N 470.419 2.707 5 40 JFBB COc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224854380 MMPVFUUIFHUCJZ-UHFFFAOYSA-N 465.528 2.653 5 40 JFBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1 409021488 KBXJPAIJHPAQOQ-VIZOYTHASA-N 475.255 2.903 5 40 JFBB O=C(c1cnn(-c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1)c1cc(F)ccc1O 9373442 ORZPDLYIIJOGNZ-UHFFFAOYSA-N 460.443 2.641 5 40 JFBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9508481 BOFWZTTYMRCWMZ-UHFFFAOYSA-N 459.455 2.593 5 40 JFBB CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)C1 12466971 MGINJRBRKKRUDY-DNVCBOLYSA-N 475.885 2.636 5 40 JFBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 40135563 HIGNPMXYJBDJQL-UHFFFAOYSA-N 483.543 2.852 5 40 JFBB COc1cccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 408683560 LOLTXGKBTFYTJH-WWLNLUSPSA-N 475.457 2.651 5 40 JFBB O=c1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c2cc3c(cc2o1)CCC3 9049752 IXAADPDTLGHNDQ-UHFFFAOYSA-N 486.502 2.790 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N\C(=O)c1cccc(C)c1 31936645 VKTNGIZDXCHSSS-NFFVHWSESA-N 474.517 2.830 5 40 JFBB CC1CCN(C(=O)C2CCN(C(=O)[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)n3ccccc3=O)CC2)CC1 199405569 HPBNJEXVBWIULZ-HSZRJFAPSA-N 494.548 2.678 5 40 JFBB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCCN21 247848417 UGXIRDRIDKPLNX-ORQYLMBXSA-N 466.881 2.988 5 40 JFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3OC)CC2)c([N+](=O)[O-])c1 408573889 PYVUIDRDRAHXLW-UHFFFAOYSA-N 472.523 2.617 5 40 JFBB Cc1cc(I)ccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409123072 DOJYIAOGTSLYKD-UHFFFAOYSA-N 489.291 2.913 5 40 JFBB CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1N1CCOCC1 9906152 VBHRVRPAGXHZKQ-UHFFFAOYSA-N 484.509 2.697 5 40 JFBB CN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)c1ccc([N+](=O)[O-])cc1 12683336 FPRJOKZRZSCJEE-UHFFFAOYSA-N 475.523 2.820 5 40 JFBB Cn1c(=O)n(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc21 25001457 FDHJLJFJTQOKEU-UHFFFAOYSA-N 463.416 2.616 5 40 JFBB CCS(=O)(=O)Nc1ccccc1C1=NN(S(=O)(=O)CC)[C@H](c2cccc([N+](=O)[O-])c2)C1 72314520 ODSCMLYDUHVSDM-IBGZPJMESA-N 466.541 2.857 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1cccc(C)c1)S(C)(=O)=O 224831283 KVUHVGCZVPDQKG-UHFFFAOYSA-N 465.528 2.653 5 40 JFBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccccn2)n[nH]1 409150383 BQHHYEVADYSLOW-KRWDZBQOSA-N 455.500 2.966 5 40 JFBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9508823 JDPNDJQLOPVBJX-UHFFFAOYSA-N 460.512 2.528 5 40 JFBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(=O)[nH]c2ccccc12 9562758 WBWMSLAEGWZUCY-UHFFFAOYSA-N 456.461 2.978 5 40 JFBB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 89799898 UUDIBIZHJQJKIJ-QGOAFFKASA-N 488.547 2.959 5 40 JFBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 9510241 DNTGMNIENPRZFX-KRWDZBQOSA-N 481.914 2.892 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(C)c(C)c1 31937054 RSXOXDUEQCFDNC-NFFVHWSESA-N 474.517 2.830 5 40 JFBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@@H](C)C4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40388634 KMQAIFOVOBWNFB-TYNCELHUSA-N 454.487 2.533 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101160835 PTYXBONDKJAIFZ-SFHVURJKSA-N 461.497 2.533 5 40 JFBB COc1ccc(CCn2c(=N)c(C(=O)NC(C)C)cc3c(=O)n4cccc(C)c4nc32)cc1OC 101166567 FEEGBSDHRXTCTM-UHFFFAOYSA-N 475.549 2.835 5 40 JFBB O=C1NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)N1 409055541 JCQFJJYNDOOJJQ-RIYZIHGNSA-N 465.203 2.959 5 40 JFBB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1 409140754 IJVPUVIRWNSCDH-ZDUSSCGKSA-N 470.511 2.959 5 40 JFBB O=C(CSc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1)Nc1ccccc1[N+](=O)[O-] 409393160 VSGGMZXLFYMYJM-UHFFFAOYSA-N 467.511 2.513 5 40 JFBB CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])N1CCOCC1 12558112 NICQGXOVTUKOOB-NRFANRHFSA-N 454.593 2.928 5 40 JFBB COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1[N+](=O)[O-] 16043533 AMEZCRNZSIGBAN-UHFFFAOYSA-N 455.876 2.530 5 40 JFBB CSc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N(Cc2ccccc2)C(C)C)cc1[N+](=O)[O-] 9550531 RVSWNDFXIKASJS-UHFFFAOYSA-N 495.579 2.575 5 40 JFBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 12990015 LHCLPBYRVOBOOZ-UHFFFAOYSA-N 481.914 2.556 5 40 JFBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222645612 ABILFTCRTCBMAV-QGZVFWFLSA-N 490.582 2.693 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\Nc3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 408880562 JSPPPXNQCXZZBF-LVSKKATPSA-N 464.503 2.728 5 40 JFBB O=[N+]([O-])c1cc2c(c(CN3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)c1)OCOC2 20796712 DQHOHHRILAJDSH-UHFFFAOYSA-N 471.894 2.760 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccc([N+](=O)[O-])cc1 103459635 XUGUZTCYQVFVOE-CLAROIROSA-N 461.474 2.699 5 40 JFBB CNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 30961565 MVDCTPGPDOUEET-INIZCTEOSA-N 460.556 2.810 5 40 JFBB Cc1c(CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c(=O)oc2c(C)c(O)ccc12 583652769 BOLIAAJKGYVRNN-CVEARBPZSA-N 479.489 2.764 5 40 JFBB biogenic CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408665229 QZPYEYCQXIXJMB-CQSZACIVSA-N 457.439 2.537 5 40 JFBB CC12CN(C(=O)c3ccc([N+](=O)[O-])cc3)CC(C)(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C1)C2=O 9007691 CHNWNZAKNKQDMD-UHFFFAOYSA-N 466.450 2.697 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 35851922 JCGUMOXBJODQDW-MVOHMCPASA-N 460.490 2.951 5 40 JFBB CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1 222644301 OSQUIHSOBUBFLU-QGZVFWFLSA-N 465.528 2.954 5 40 JFBB O=C1[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 247300868 FAUSJBUQIDAASR-BREDGVMVSA-N 452.854 2.679 5 40 JFBB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC(=O)NCc1cccs1 95962829 GLCVHLQRUCRADZ-UHFFFAOYSA-N 471.461 2.823 5 40 JFBB COC(=O)CSc1nnc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1-c1ccc(F)cc1 2724069 KXCMRNREMRBNNQ-UHFFFAOYSA-N 459.459 2.818 5 40 JFBB C[C@@H](OC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl 3403723 PKDHKLDJMWFUEX-SNVBAGLBSA-N 463.805 2.944 5 40 JFBB Cc1c(NS(=O)(=O)c2ccc(N[C@@H](C)C(C)(C)O)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 62589990 UNQKESRBPMOUPI-HNNXBMFYSA-N 489.554 2.765 5 40 JFBB O=C1[C@H]2[C@@H](Sc3[nH]c(=O)sc3[C@H]2c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 102723164 CXJBOGIOWQBSGB-SQWLQELKSA-N 455.473 2.846 5 40 JFBB O=C1[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 103518426 NUVIJMBHELZTOQ-ABXWHYIOSA-N 470.844 2.819 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@]4(C(=O)Nc5c(C)cccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 9327919 PNDPJSJGPBXDLY-SDMYACPNSA-N 476.489 2.651 5 40 JFBB CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 9382022 LTSOSJOEQHXZDP-UHFFFAOYSA-N 480.506 2.834 5 40 JFBB CCOC(=O)N1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(CC)nn3c2O)CC1 15391760 QGOXWROEMUPZTG-MRXNPFEDSA-N 460.516 2.831 5 40 JFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 15968251 UDGNBLFELYPSCF-BINBFKAUSA-N 460.490 2.897 5 40 JFBB biogenic Cn1nc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c2ccccc2c1=O 9282966 IOHXMWGZFNJQKC-UHFFFAOYSA-N 461.400 2.823 5 40 JFBB CSc1ccc(S(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 9633855 MBECKFAJPQKBLK-LLVKDONJSA-N 487.943 2.819 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1cccc(C)c1)S(C)(=O)=O 14155578 ZJPVFKOMLYUOQV-UHFFFAOYSA-N 467.569 2.727 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccccc1OCC 54360523 GTFLEJLRWDRPGI-NFFVHWSESA-N 490.516 2.612 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 223882726 CCZYSZHUXLBUDR-UHFFFAOYSA-N 470.507 2.994 5 40 JFBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225086733 OFFRBCGNEXYFFH-OAQYLSRUSA-N 490.582 2.694 5 40 JFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)C2=O)cc1 409245874 AFYLZCAWGYQPEH-VIZOYTHASA-N 474.407 2.892 5 40 JFBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCSC)[C@H]1c1ccccc1[N+](=O)[O-] 19923907 FGPHSXSSHGOMEB-IBGZPJMESA-N 450.513 2.925 5 40 JFBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccc(Br)s1 3322917 JCHFXDXKHWZIIQ-UHFFFAOYSA-N 467.253 2.831 5 40 JFBB O=C(NCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 9125495 MTTGYDFZUJJDNS-UHFFFAOYSA-N 454.380 2.831 5 40 JFBB O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1Br 9882429 OFRFRPKAMQQFJU-UHFFFAOYSA-N 451.262 2.769 5 40 JFBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)n1 12137728 XCYTZWLHDCKRBS-UHFFFAOYSA-N 457.468 2.820 5 40 JFBB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224761170 VTLLNTSFXYJAMW-UHFFFAOYSA-N 450.469 2.838 5 40 JFBB O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9127362 XNTROFMZUSGAIB-UHFFFAOYSA-N 453.451 2.665 5 40 JFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9963795 BFOIIDCSARWEIE-UHFFFAOYSA-N 472.332 2.722 5 40 JFBB CC(=O)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN12 2343323 GIDAGIUFPCNPEY-VAMGGRTRSA-N 463.446 2.863 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccc(O)c(OC)c1 8856842 SJHZSFLBEFCELY-MRCZTLKWSA-N 495.513 2.530 5 40 JFBB CC(=O)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)OC(C)(C)OC2=O)[C@H]2c3ccccc3C=NN12 9353635 GIDAGIUFPCNPEY-XUVXKRRUSA-N 463.446 2.863 5 40 JFBB COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 12972053 MXZRJGZSOJQSQX-UHFFFAOYSA-N 462.480 2.526 5 40 JFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 34868771 PBVSOIVDCRGCAE-UYCVCSCRSA-N 466.881 2.988 5 40 JFBB COc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 408679420 DZDDFRCKDRRHLN-WWLNLUSPSA-N 475.457 2.651 5 40 JFBB Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] 9511034 YDZVNLACTBFMGG-UHFFFAOYSA-N 461.496 2.873 5 40 JFBB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 14826877 ZCAMCVISPLMNMX-UHFFFAOYSA-N 495.560 2.995 5 40 JFBB Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 26541277 AYZOWBIFHJAMPL-UHFFFAOYSA-N 456.480 2.705 5 40 JFBB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)n(CC(=O)Nc4ccc([N+](=O)[O-])cc4)c(=O)c23)C1 32747281 SFNDATRUVNNAMR-HNNXBMFYSA-N 497.577 2.962 5 40 JFBB O=C1[C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 33695204 VMJHPBIYEYZNKD-BZDHPDOMSA-N 452.854 2.679 5 40 JFBB C[C@H](COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104256451 WIIUJIADHMYMHT-SECBINFHSA-N 464.299 2.722 5 40 JFBB O=C(COc1ccc(Br)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8916807 FDUDHKOEUVPPKM-UHFFFAOYSA-N 479.356 2.959 5 40 JFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9287114 JDYKBEHBYKZQFT-PUFAWVJESA-N 460.490 2.951 5 40 JFBB Cc1c(N(C(=O)c2cccnc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 10128724 HRKCGFKCKDHITB-UHFFFAOYSA-N 493.501 2.823 5 40 JFBB COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 12997678 KELRKTATFHETLT-UHFFFAOYSA-N 458.496 2.540 5 40 JFBB CCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 13138292 SAARQEBQKHDSTC-QFIPXVFZSA-N 456.455 2.798 5 40 JFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 35510911 GRBAALTUTDJMDG-UHFFFAOYSA-N 490.582 2.782 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(NC(=O)c2ccccc2[N+](=O)[O-])C1)Nc1cc(Cl)ccc1Cl 138597343 PIDQKYOEBBCUFV-NSHDSACASA-N 495.275 2.577 5 40 JFBB CC[C@@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2751158 YAOXOOONJKJJDA-OAHLLOKOSA-N 468.447 2.694 5 40 JFBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 9288120 LJCPYQFAQWHSSQ-YRAONVGVSA-N 466.881 2.988 5 40 JFBB O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10039485 AXKXVEFDBYISCM-UHFFFAOYSA-N 477.473 2.905 5 40 JFBB Cc1ccc(-n2ncc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c2C)cc1 13010744 FBDBJTXHYRZLFO-UHFFFAOYSA-N 469.523 2.544 5 40 JFBB CC(=O)N[C@@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2ncccc2[N+](=O)[O-])CC1 13565742 LHCVLTAUMNILFX-NRFANRHFSA-N 453.543 2.946 5 40 JFBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6cccc([N+](=O)[O-])c6)=NO[C@H]45)[C@H]3C2=O)cc1 100204974 GXKGBBWXPSOKQB-RAZXTWSVSA-N 461.430 2.695 5 40 JFBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccncc3)c2=N)cc1 100851319 KBSOSVHLAVWUIX-UHFFFAOYSA-N 457.515 2.713 5 40 JFBB COc1ccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224854655 NAGGFEHGPAHOOY-UHFFFAOYSA-N 465.528 2.653 5 40 JFBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)N1CCN(c2ccccc2)CC1 16489035 HDTACLQFBBDCDB-JAIQZWGSSA-N 496.501 2.709 5 40 JFBB CN1CCN(S(=O)(=O)c2ccc(N[C@H](c3ccc(F)cc3)c3nccn3C)c([N+](=O)[O-])c2)CC1 17590432 QJPQFQDLGPXUTG-OAQYLSRUSA-N 488.545 2.605 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1OC 1217136 RCNUMUAEUMIBQA-FNGUVFISSA-N 479.514 2.715 5 40 JFBB CC(C)(C)c1ccc(OC[C@H](O)Cn2cnc3cc(N4CCOCC4)c([N+](=O)[O-])cc3c2=O)cc1 12564361 JVEIAKLVJOFYLE-GOSISDBHSA-N 482.537 2.879 5 40 JFBB 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O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2C=CC=NN21 103523567 LJLCIRYITUIGTM-NCXUSEDFSA-N 450.838 2.845 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCC1(c2ccccc2)CCOCC1)S(C)(=O)=O 223126955 NOWIZCOZNWFLGG-SFHVURJKSA-N 475.567 2.922 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 8720534 MAXWRKBWHPWTQY-UHFFFAOYSA-N 454.508 2.841 5 40 JFBB COc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 40399926 FGNVREKJOZRQDL-OAHLLOKOSA-N 464.438 2.803 5 40 JFBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408684816 OECSNTBVNNQCNK-AFHBHXEDSA-N 462.418 2.868 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccc(OC)cc1 408729013 AFKWGGHDAZQVLU-CNSVBDKNSA-N 479.514 2.824 5 40 JFBB CCCCCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc2c1=O 4766401 OGRQYXHTBYGMLH-UHFFFAOYSA-N 465.510 2.751 5 40 JFBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1 13128272 QGOBIBONWJSYQJ-UHFFFAOYSA-N 480.409 2.666 5 40 JFBB O=C1O[C@@H](c2ccc(NC(=O)c3ncn[nH]3)cc2)N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 19419216 PQESLVDWESXRQI-XPUDNMOSSA-N 485.254 2.914 5 40 JFBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20153300 AFGIUACWLVTKQH-UHFFFAOYSA-N 494.913 2.918 5 40 JFBB Cc1c(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5c(Cl)cccc54)[C@@H]3C2=O)cccc1[N+](=O)[O-] 103535294 HXHJKSAGDAVPCL-PRHHBONVSA-N 466.881 2.988 5 40 JFBB Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408541756 DNIXFXOGAXHENX-UHFFFAOYSA-N 461.331 2.593 5 40 JFBB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)c1 10059472 GVIPBQPOQXLTRN-HNNXBMFYSA-N 463.512 2.960 5 40 JFBB CSCC[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]12 102558254 QBUOBADNLLMEEU-LPSTTYAQSA-N 466.519 2.581 5 40 JFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)S(C)(=O)=O 222725177 RLKDGSSMCBEBNH-GJZGRUSLSA-N 463.512 2.706 5 40 JFBB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 16975017 YUVRXADNUIKZLP-LJQANCHMSA-N 474.495 2.899 5 40 JFBB COC(=O)C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 58051833 HODDYKZHJLDBII-MRXNPFEDSA-N 464.272 2.508 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 408681657 IBUNEMQXIRPEGO-PBFVBANWSA-N 490.428 2.550 5 40 JFBB CCOC(=O)[C@H](Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(C)cc1 6547762 HNZJFOWHIMUVTL-SFHVURJKSA-N 457.483 2.921 5 40 JFBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCCN1CCOCC1 8792226 IYRHSWAOHIYAIM-KRWDZBQOSA-N 470.529 2.808 5 40 JFBB biogenic COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@@H]2C1=O 9332700 KPLGJLYESKJSKL-LZISPXOZSA-N 476.489 2.651 5 40 JFBB Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN21 247848422 UGXIRDRIDKPLNX-YDSTWLSQSA-N 466.881 2.988 5 40 JFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(F)cc1 408687987 VKYGEXQKJGVVQX-PBFVBANWSA-N 463.421 2.781 5 40 JFBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cc(Cl)ccc1Cl 941691 XJDRMXNLLWWFKI-UHFFFAOYSA-N 452.206 2.680 5 40 JFBB C[C@H](C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)N1C(=O)c2ccccc2C1=O 2653182 SZKSJDNCDIKIIV-LLVKDONJSA-N 486.487 2.507 5 40 JFBB CCCn1/c(=N\C(=O)c2ccc(OC)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176347 CJTSHFREIDYWRW-QYQHSDTDSA-N 460.490 2.986 5 40 JFBB C[C@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2[C@@H](C)O1 102778953 LUOMEPYOYBJMST-UCSKIROJSA-N 468.441 2.542 5 40 JFBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc21 408529445 HVCYJWDJIZATBA-LSCVHKIXSA-N 497.445 2.613 5 40 JFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCCN21 9331491 PHUVHVWSULCPLS-LZISPXOZSA-N 476.489 2.597 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 408664987 ZBGYCSRRHMIIIJ-RTBURBONSA-N 480.433 2.918 5 40 JFBB CCOC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 2724053 WQAUHVVZGJTBMA-UHFFFAOYSA-N 455.496 2.820 5 40 JFBB O=[N+]([O-])c1c(/C=C/c2ccc(Br)cc2)nc(N2CCOCC2)nc1N1CCOCC1 9307132 DGLADKCUMTWUQD-ZZXKWVIFSA-N 476.331 2.991 5 40 JFBB CN(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 10376781 POHCPYPNDXQFBL-UHFFFAOYSA-N 452.558 2.827 5 40 JFBB CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)nn(-c2ccc([N+](=O)[O-])cc2)c1N 16683043 PIEUVKMVFMSLNR-UHFFFAOYSA-N 465.875 2.994 5 40 JFBB biogenic CSc1nc2nc(C)c(CCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c(C)n2n1 17217466 QCOWCQHWEXEAQL-UHFFFAOYSA-N 459.484 2.914 5 40 JFBB COc1cc(N2C(=O)[C@@H]3[C@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 104074994 AVUFFTGHFWROBV-BNVGKWPLSA-N 496.907 2.996 5 40 JFBB COc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 223020126 HOCZVZSWRBVYOV-UHFFFAOYSA-N 463.497 2.527 5 40 JFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cc1[N+](=O)[O-] 247989103 LJCPYQFAQWHSSQ-OSJYTEGDSA-N 466.881 2.988 5 40 JFBB CCCOC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408657373 JQUDCWLKSHFMGL-INIZCTEOSA-N 469.450 2.696 5 40 JFBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2 409309102 BMWVXODFRZTTNT-UHFFFAOYSA-N 469.475 2.835 5 40 JFBB C[C@]1(N(CCNCc2ccc([N+](=O)[O-])cc2)Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 575422816 WPASGPARZVNUOY-NRFANRHFSA-N 462.528 2.672 5 40 JFBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2cccs2)CC1 13141187 DWUDBEJRSOGUCP-GFCCVEGCSA-N 458.949 2.643 5 40 JFBB O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 14356459 FRSXBSRELBIRHD-UHFFFAOYSA-N 494.176 2.881 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)N(CCO)Cc1ccccc1)n1cc(Cl)ccc1=O 9601235 DANRMLXGWIDLSB-OAQYLSRUSA-N 469.881 2.855 5 40 JFBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)c1 25561272 NAPPFVHLAYZRPZ-INIZCTEOSA-N 490.365 2.648 5 40 JFBB O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 40157126 NYOWXRKEOHEXLZ-UHFFFAOYSA-N 450.423 2.501 5 40 JFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 102117121 DBMYUMQOFSECNK-CYBMUJFWSA-N 488.457 2.837 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccc(C)cc1)S(C)(=O)=O 409410238 LRCKLFNHILVDEX-UHFFFAOYSA-N 467.569 2.727 5 40 JFBB COCCn1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504237 RNFBTPSJSLYJTI-HXUWFJFHSA-N 457.922 2.793 5 40 JFBB O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2F)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 56959545 XIQMEERIPWEZGX-HSZRJFAPSA-N 492.511 2.747 5 40 JFBB CS(=O)(=O)N(CCCC(=O)NCCOc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 224935513 GSXZZTZOUGQVAE-UHFFFAOYSA-N 455.920 2.990 5 40 JFBB COc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1[N+](=O)[O-] 9876022 OFMAONITFFBANI-NRFANRHFSA-N 474.539 2.771 5 40 JFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCCN21 16001125 GLNWQPJYBYNRKG-QPXQOZNCSA-N 466.881 2.988 5 40 JFBB O=C(c1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]2[C@@H]2C=CC=NN21 230010337 KKMKPPZWRNPUAM-AITUJVMLSA-N 450.838 2.845 5 40 JFBB Cc1c(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@]4(C(=O)Nc5ccc(Cl)cc54)[C@H]3C2=O)cccc1[N+](=O)[O-] 248133467 YEGUMIDOSIKMCP-RTXPOLOASA-N 466.881 2.988 5 40 JFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc(O)c(OCC)c3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])o1 408730500 GWXZJZGPHCQXMT-ZZODWALSSA-N 499.501 2.513 5 40 JFBB O=C(NCc1ccco1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@@H]12 583652726 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O=C(COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)Nc1ccccc1 9443029 VJAJHGXJQVIDQK-UHFFFAOYSA-N 481.914 2.831 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCCn4ccnc4)c3nc12 100848279 MMDHINBZJWUVKM-UHFFFAOYSA-N 459.554 2.786 5 40 JFBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260834639 NNCHEHLOYGNFTE-RDTXWAMCSA-N 463.512 2.788 5 40 JFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1OC 408550173 AVNFMGLTBWRWEI-HNNXBMFYSA-N 463.512 2.960 5 40 JFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408685968 QQGXTXBFYNGXGA-SLUIBLPYSA-N 462.418 2.868 5 40 JFBB COc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)sc3nc2=O)cc1 1890546 LFIJNOUHYISDDG-BKUYFWCQSA-N 488.481 2.827 5 40 JFBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 8901611 VNXRBEJKLOWIAF-UHFFFAOYSA-N 481.553 2.988 5 40 JFBB CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 40074147 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462.297 2.904 5 40 JFBB COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278893 OLJMGHBGEHBJKV-UHFFFAOYSA-N 463.512 2.866 5 40 JFBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409015042 RAWJKCRIBQYBCP-IGCGCMMHSA-N 492.247 2.893 5 40 JFBB COc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 19934816 FGQBSNFSXUIMSC-UHFFFAOYSA-N 469.541 2.720 5 40 JFBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14277420 ILKNTJQARVDXNV-UHFFFAOYSA-N 475.889 2.955 5 40 JFBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(Br)cc1C(=O)O 16429249 JUDJYQLVWKMXSY-UHFFFAOYSA-N 454.258 2.948 5 40 JFBB O=C(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 20889954 ARFAQHHVBLXTGX-UHFFFAOYSA-N 477.278 2.790 5 40 JFBB CN(Cc1ccccc1Br)C(=O)CN1C(=O)N[C@](C)(c2cccc([N+](=O)[O-])c2)C1=O 31660001 ODQCSYAWUQFISR-HXUWFJFHSA-N 475.299 2.783 5 40 JFBB C[C@@H](OC[C@H](O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 36395439 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CCCn1/c(=N\C(=O)c2ccc(OC)c(OC)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176385 CIJVNHJVFNYGNU-NFFVHWSESA-N 490.516 2.994 5 40 JFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 408683131 KLHHNTGLTMDJLH-IRXDYDNUSA-N 480.433 2.918 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cccnc1 101084545 NGNUITGWFFMTDR-SLMZUGIISA-N 459.506 2.926 5 40 JFBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c2nnn3-c2ccc(F)cc2)CC1 10256364 MDXHNFBWZQRWSQ-KMKOMSMNSA-N 474.456 2.620 5 40 JFBB Cc1ccc(Cn2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 10386010 JQDDKJLRTWHXKS-UHFFFAOYSA-N 479.518 2.674 5 40 JFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])ccc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 59600155 BAJXDKDYUMXQMQ-ZMUHTPIZSA-N 483.477 2.551 5 40 JFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 103769442 RRXAHMIHFBDELV-AEFFLSMTSA-N 456.842 2.854 5 40 JFBB CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(Cc4ccccc4)C[C@@H]32)C1=O 12411106 GMYYKMJKKIUFBV-ATIYNZHBSA-N 491.548 2.659 5 40 JFBB O=C1N[C@H](c2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1 15906765 TWRLOSUGBPIHFJ-XNJGSVPQSA-N 476.314 2.695 5 40 JFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)/c1=N\C(=O)c1ccc(C)cc1 31937020 OMPXNZQISLUDHA-QYQHSDTDSA-N 460.490 2.522 5 40 JFBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3c(C)cc(Cl)cc31)N1CCC[C@H]21 35851829 VPOUDYAYYVYREA-VEBYGKHWSA-N 496.907 2.996 5 40 JFBB COCCCN1C(=O)[C@H]2[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 101478376 XUGUZTCYQVFVOE-MBDNFAEBSA-N 461.474 2.699 5 40 JFBB CCc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@@H]43)C2=O)cc1 102782194 PSGOFQVCFAYQCT-BTJSHIJGSA-N 478.505 2.965 5 40 JFBB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2C=CC=NN21 103560656 XTRWWDOKPMGOLL-MANSERQUSA-N 465.853 2.601 5 40 JFBB CC[C@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 2751157 YAOXOOONJKJJDA-HNNXBMFYSA-N 468.447 2.694 5 40 JFBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1 4295532 ATZKGDNDJGVKBO-UHFFFAOYSA-N 469.552 2.840 5 40 JFBB CN(CC(=O)Nc1ccccc1Br)C(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12634320 KCSRRIBWYYZKJB-UHFFFAOYSA-N 490.358 2.576 5 40 JFBB Cc1sc2nc(CN3CCOCC3)nc(N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 12784901 ZWHCZPKWVSTBND-PXNSSMCTSA-N 473.555 2.555 5 40 JFBB O=C1NC2(CCCCC2)C(=O)N1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23385225 SPVIOXZFPPXJOO-UHFFFAOYSA-N 455.437 2.948 5 40 JFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(Cl)cc(C)cc43)[C@@H]2C1=O 36316845 USCULKINFPUYRF-UNKHORCTSA-N 496.907 2.996 5 40 JFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccnc1 61714946 RHHKQOLQAYBWPZ-BYNJWEBRSA-N 483.484 2.912 5 40 JFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 408645714 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2.717 5 40 JFBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)Nc1cccc([N+](=O)[O-])c1 408650969 CNFPESICBYIBGG-LBPRGKRZSA-N 462.256 2.892 5 40 JFBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCCN1CCCCC1 10277397 KZFCCCTZXAQALY-UHFFFAOYSA-N 460.556 2.782 5 40 JFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](Cc3ccc(O)cc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C1=O 35851920 OUHKGQMISZFWAN-NFEIJPORSA-N 498.495 2.777 5 40 JFBB COc1cc(N2C(=O)[C@H]3[C@H](CCSC)N[C@@]4(C(=O)Nc5ccccc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 35852001 FFBWWZVOBWOVDP-YTCTWSIISA-N 496.545 2.590 5 40 JFBB CCN1C(=O)[C@@]2(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCCN12 35855597 ONDUZDKAUDVKMM-MASGSYHESA-N 460.490 2.749 5 40 JFBB COc1ccc(CCn2c(=N)c(C(=O)NC[C@H]3CCCO3)cc3c(=O)n4cccc(C)c4nc32)cc1 100558780 HTTMFXKOIKANNW-HXUWFJFHSA-N 487.560 2.597 5 40 JFBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C[C@H]3CCCO3)c2=N)cc1 100870194 ZBAHCLHWLKOLII-LJQANCHMSA-N 457.534 2.855 5 40 JFBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(Cc4cccnc4)c3nc12 100929106 MGFLCHXPZBOYRN-UHFFFAOYSA-N 494.511 2.539 5 40 JFBB O=C1[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Cl 104050061 UHXDDHDGRBUDMU-QSNWEANLSA-N 470.844 2.819 5 40 JFBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 408542463 JAKHRDFHNBBZAA-UHFFFAOYSA-N 472.502 2.878 5 40 JFBB O=C(NCc1ccco1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2C[C@@H]3C[C@@H](Cn4c3cccc4=O)[C@H]12 888089357 XEODHHCDQPXRAO-FSCJKDELSA-N 460.490 2.831 5 40 JFBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCCN1C(=O)CSC1=O 8826085 FNBHIRASWVYJGY-UHFFFAOYSA-N 451.533 2.939 5 40 JFBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 14277414 HJCJVXJXAYHOPG-UHFFFAOYSA-N 475.889 2.955 5 40 JFBB COCCn1nnnc1[C@H](c1ccc2ncccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 19594018 PQQBNLLQEJARAX-QHCPKHFHSA-N 474.525 2.688 5 40 JFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1)NCCN1C(=O)CSC1=O 9510317 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