smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@@H](C)c1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 12869809 ROVJFXXFCKNKIS-CYBMUJFWSA-N 442.515 3.126 5 40 IGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn3ccccc3n2)cc1 29006005 VOQMBARFCZAEMQ-NRFANRHFSA-N 432.436 3.285 5 40 IGBB COc1cc(CCNC(=O)COc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 40141600 QGPPNQBSFTYSJF-UHFFFAOYSA-N 428.363 3.369 5 40 IGBB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225088145 BANXPTSLUMNWGM-UHFFFAOYSA-N 432.376 3.290 5 40 IGBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 409025601 UIKBILMHKLDEKK-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 10749526 URDSCKPWSSDQON-UHFFFAOYSA-N 440.239 3.156 5 40 IGBB CSc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12762813 LOZMZFQHQYDLMN-UHFFFAOYSA-N 449.554 3.421 5 40 IGBB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24944970 MSODACJUZSZBNV-UHFFFAOYSA-N 449.511 3.485 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 220390971 DLGZCLURROLRRR-OAHLLOKOSA-N 435.502 3.484 5 40 IGBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222988436 OTRZPYGHGISMHT-QGZVFWFLSA-N 443.500 3.316 5 40 IGBB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n[nH]2)c1 408583031 RDQHBCZDBWNPPE-UHFFFAOYSA-N 429.458 3.436 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687796 VDBCSNDTDMLGPK-VQTJNVASSA-N 447.447 3.176 5 40 IGBB C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2101669 SDLBNJCXSZNGDR-SECBINFHSA-N 441.227 3.358 5 40 IGBB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 16102938 RKDIPWMDNNHZSY-UHFFFAOYSA-N 438.528 3.347 5 40 IGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCNc4ccccc4C3)c([N+](=O)[O-])c2)C1 32926982 QKPOWMLHNAFMTB-MRXNPFEDSA-N 430.530 3.448 5 40 IGBB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1 102747053 QBHQQPXILZEYKI-GAJHUEQPSA-N 445.516 3.015 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1 835135 XVDMUGUIAWGPNU-UHFFFAOYSA-N 425.466 3.107 5 40 IGBB Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)sc3nc12 4789462 KMTDRZQUSMBYNA-UHFFFAOYSA-N 449.492 3.088 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1C 9891975 QAJDZGUPAMQXDP-UHFFFAOYSA-N 430.530 3.297 5 40 IGBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 138756743 MVGDQEWNTQEJLV-QGZVFWFLSA-N 439.468 3.254 5 40 IGBB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538198 XPIJMVAAIQEDNA-SFHVURJKSA-N 433.486 3.289 5 40 IGBB C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223391016 AHDMUCOOHBXSIA-NSHDSACASA-N 427.866 3.050 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(C)c1 408651026 AMEIFBORRCWTQC-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-] 408665424 FEQZPFIXXOHMID-CQSZACIVSA-N 445.859 3.400 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)n1 2368447 FFGNQDCEVOTPSF-UHFFFAOYSA-N 447.860 3.400 5 40 IGBB COc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c([N+](=O)[O-])cc1OC 3341030 RNWRDSPGNUFCQR-UHFFFAOYSA-N 430.232 3.476 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1F 103001056 HEHKNXNSOXOUKW-SZXQPVLSSA-N 448.454 3.287 5 40 IGBB COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@@H]21 225420396 PWDXABLHFDFFEB-KDGBHJTFSA-N 426.421 3.201 5 40 IGBB biogenic,in-vitro CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 953257 STBMWAAWDGFORN-VGOFRKELSA-N 449.573 3.423 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)n1 9234287 ARQCTSGZTDGSCV-XUEUYAKLSA-N 428.489 3.328 5 40 IGBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 12751931 CWPCLBYVQAWQJP-UHFFFAOYSA-N 426.425 3.110 5 40 IGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 13941710 CKPKWFAWIXRTBZ-CYBMUJFWSA-N 428.445 3.373 5 40 IGBB CCN(CCCNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])C(=O)OC(C)(C)C 32913358 IWYKBZBZXKVLSX-UHFFFAOYSA-N 444.554 3.341 5 40 IGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc21 408526828 CNQROGNKSFOYRB-IUXPMGMMSA-N 442.428 3.161 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c(C)c1 3009662 UDXOEGBVTKWDIG-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB CCCCN1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 9302753 IHGXQWDGNSOYBF-CBPXPLCBSA-N 445.475 3.463 5 40 IGBB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] 12561570 BXUPVVFFYRTOFL-OAQYLSRUSA-N 438.484 3.122 5 40 IGBB O=C(c1cccc(S(=O)(=O)NCc2ccccc2)c1)N1CCc2ccc([N+](=O)[O-])cc21 29891772 QUKNKTLJIFUVFB-UHFFFAOYSA-N 437.477 3.276 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)c1 138700357 KAHWPLPTUJPQEE-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408637902 ASDLZWOBANAXGZ-OAHLLOKOSA-N 441.440 3.162 5 40 IGBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O 9128698 HRDMZMVSFJTYTR-CVDCTZTESA-N 436.468 3.021 5 40 IGBB CNc1cc2ncn(C[C@@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2cc1[N+](=O)[O-] 12607948 ZQMBWRLTTUOBTQ-LLVKDONJSA-N 439.255 3.093 5 40 IGBB Cc1nc(-c2ccc(CCNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)cs1 12874649 JEJXODCYCPIYRM-UHFFFAOYSA-N 445.522 3.403 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 23411686 APVFFQONCZVKSM-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 100537839 XJACHFFQDNQMHZ-SNHGZMDHSA-N 448.431 3.170 5 40 IGBB COc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 408610724 RWEGURDCFWWYFY-GOSISDBHSA-N 445.447 3.106 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2C1=O 8875080 KQAOUYIJAJJOTG-UHFFFAOYSA-N 440.408 3.176 5 40 IGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12738058 XAUCDNGYNLXUDB-UHFFFAOYSA-N 437.905 3.233 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860323 QYKIBCMMPUJRQR-OAHLLOKOSA-N 437.905 3.429 5 40 IGBB COc1ccc([C@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCOCC2)cc1 27670909 KEDRABYZABKPHS-FQEVSTJZSA-N 431.514 3.129 5 40 IGBB CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C1 584442540 UJPTVSNFIAPVIS-CJMONDIMSA-N 439.462 3.336 5 40 IGBB C[C@@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F 12418093 FCMXHQXIHXQTBS-OAHLLOKOSA-N 446.454 3.061 5 40 IGBB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 220341184 MRPPWYJGDOUDEV-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C 2629307 JRGVTOFGEGWHFQ-JTQLQIEISA-N 435.458 3.424 5 40 IGBB CCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4933870 GKJHAHMMGLAJSB-UHFFFAOYSA-N 445.428 3.229 5 40 IGBB CC(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9328749 MPIMLGVMWHOTQW-HXUWFJFHSA-N 446.525 3.313 5 40 IGBB Cc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57688737 AQRDGBGSMCWFSU-UHFFFAOYSA-N 433.512 3.232 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@@H](C)C(=O)OC)c([N+](=O)[O-])c1 84779649 KXXNYCTVJBNIJF-OAHLLOKOSA-N 435.502 3.055 5 40 IGBB O=C1[C@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1 247361191 ZPMSFDKNUSZIOB-QEYSWXTQSA-N 437.839 3.423 5 40 IGBB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1[N+](=O)[O-] 9426884 CEMNQPCMLJLECE-UHFFFAOYSA-N 441.469 3.157 5 40 IGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 12372257 VZXRWQTZDLSZOT-UHFFFAOYSA-N 441.223 3.019 5 40 IGBB COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1 15168965 BOQDGXLETFSVOT-NRFANRHFSA-N 448.545 3.103 5 40 IGBB O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 23177619 DQOWIOMKLQXSBE-LEWJYISDSA-N 443.525 3.332 5 40 IGBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408666208 GTIYHVFGVIZWKS-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC4CC4)cc3c3ccnc2c31 8792416 WVULRPGRFJBAGM-UHFFFAOYSA-N 443.459 3.267 5 40 IGBB biogenic COc1ccc(-n2c(SCc3cc([N+](=O)[O-])ccc3O)nc3n[nH]cc3c2=O)cc1 12541172 HICJLEWPFQHSMX-UHFFFAOYSA-N 425.426 3.024 5 40 IGBB C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(Cc2ccccc2)CC1 22024848 MZTSYDOMEBPGFN-OAHLLOKOSA-N 431.876 3.138 5 40 IGBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124682 DFEXPHKJLZBCJA-GDNBJRDFSA-N 440.499 3.059 5 40 IGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1 100869804 QAPZABKXCNEDCM-UHFFFAOYSA-N 439.475 3.008 5 40 IGBB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225083433 PXBITKJFLQXZEV-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 8718323 WQGSCOBOVJPNEV-HXUWFJFHSA-N 449.366 3.030 5 40 IGBB O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1[N+](=O)[O-] 9190662 KRTBOMGLVDGKMS-XMMPIXPASA-N 446.415 3.331 5 40 IGBB COc1cc(N2C(=O)[C@H]3[C@@H](C(C)=O)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 9287526 DPMUTYNODWNDAB-GXRSIYKFSA-N 447.447 3.016 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] 32125382 QNPNGIKPKJXECI-UHFFFAOYSA-N 448.526 3.160 5 40 IGBB CN(C)C1CCN(C(=O)CC2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 58010244 DFLOXUHSINWHPS-UHFFFAOYSA-N 436.940 3.043 5 40 IGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccccc1 34689896 IHXZEUWBIHVEBE-CSKARUKUSA-N 439.424 3.411 5 40 IGBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 100831031 UZYQQRHVDXDQNW-LZWOXQAQSA-N 439.474 3.140 5 40 IGBB COCCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc([N+](=O)[O-])ccc21 100872695 IHHPQAXWVYOILL-MRCUWXFGSA-N 425.422 3.105 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(C(F)(F)F)c1)S(C)(=O)=O 223574908 QHVQXFDEMMITHK-UHFFFAOYSA-N 445.419 3.004 5 40 IGBB CCOC(=O)c1nnn2c1sc1c(C(=O)OCC)nnn1c1cc3ccccc3cc12 1409637 KDFIXVKLRIYNPM-UHFFFAOYSA-N 436.453 3.056 5 40 IGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(C)on1 20068449 JNPXQJMPXSZRSD-HNNXBMFYSA-N 427.866 3.140 5 40 IGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 78902620 UEJRSWVXUCNPRW-UHFFFAOYSA-N 429.248 3.335 5 40 IGBB CCc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222644101 VKUNTDDYLYFPPR-UHFFFAOYSA-N 435.502 3.351 5 40 IGBB COc1cc2c(cc1OC)-c1cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc(=O)n1CC2 2357504 XAYCZCUTUIQSPL-UHFFFAOYSA-N 440.368 3.092 5 40 IGBB COc1ccc(C(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1 9518652 BAXBOSDQFWNFCZ-UHFFFAOYSA-N 442.453 3.200 5 40 IGBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12528212 QGIIZMQVFFMDNN-UHFFFAOYSA-N 440.500 3.231 5 40 IGBB COc1cccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1OC 12571750 QTEDOTNQPXQVNA-UHFFFAOYSA-N 439.218 3.170 5 40 IGBB O=c1oc2cc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(Br)cc2s1 15304658 GYLHPBKPIDGLJT-UHFFFAOYSA-N 432.229 3.293 5 40 IGBB CC(=O)CC[C@](Br)(CC[C@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] 17158102 SLQWDVMCAZEWKN-TXEJJXNPSA-N 446.092 3.241 5 40 IGBB Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C 22097547 QMOLTNOLKRYBDJ-HOTGVXAUSA-N 425.441 3.135 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O 408652937 PGBUYHUXIQAXSK-GDBMZVCRSA-N 426.425 3.079 5 40 IGBB O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1O 12137374 GRWGSWVLTXSHAV-UHFFFAOYSA-N 445.497 3.460 5 40 IGBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(c2nnc3ccccn23)CC1 28735440 LUYIVNXKFQZBQU-UHFFFAOYSA-N 434.500 3.260 5 40 IGBB Cc1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cccc1[N+](=O)[O-] 38860271 GJNHBNDOKYAGOH-IBGZPJMESA-N 447.513 3.366 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccs1 102920991 YXVDSSWPQNHXCC-LYBHJNIJSA-N 436.493 3.209 5 40 IGBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C4CCCCC4)C3=O)[C@@H]2C1 16956824 VNMMVXQCNDNNJB-OTURYTIQSA-N 440.500 3.358 5 40 IGBB Cc1c(N(CCCC(=O)NC[C@H](C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 260842754 XXSQPCGEIVFHOT-INIZCTEOSA-N 433.530 3.369 5 40 IGBB O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 2617420 QWTHWCAKWXZHGV-UHFFFAOYSA-N 440.309 3.284 5 40 IGBB NC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1 9581204 UGWBSZRNNNVCJP-UHFFFAOYSA-N 448.435 3.101 5 40 IGBB COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(C)=O)CC2)cc1[N+](=O)[O-] 10010430 QVAYEDMGLHBREE-UHFFFAOYSA-N 432.864 3.178 5 40 IGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23561399 LANWQHLLODMWPD-YWZLYKJASA-N 433.505 3.404 5 40 IGBB O=C(NCCc1ccccc1F)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48300527 RMWXHRPEWOEEBP-UHFFFAOYSA-N 425.464 3.112 5 40 IGBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3[N+](=O)[O-])CC2)cc1 70461904 FIZHFUDXHWPHJB-UHFFFAOYSA-N 434.500 3.435 5 40 IGBB CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O 72310210 PPXHTLFNVFVMCL-QWHCGFSZSA-N 437.440 3.114 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 3565437 LXTFFHUTAGDHLP-UHFFFAOYSA-N 447.922 3.080 5 40 IGBB Cc1ccc(-c2cc(-c3nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n3N)[nH]n2)cc1 9453432 YGGMMVLEKJHBPD-UHFFFAOYSA-N 435.469 3.241 5 40 IGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225005622 BUUVPAKNBOZMQR-IRXDYDNUSA-N 443.500 3.314 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(NC(C)=O)cc2)n[nH]1 408637425 KGUVYXBTOXPGPM-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1cccc([N+](=O)[O-])c1 2354172 OVRZXZNRODZNMT-UHFFFAOYSA-N 430.372 3.435 5 40 IGBB CCc1nnc(NC(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)s1 10275783 GZWYGKLHXRUEJI-UHFFFAOYSA-N 448.482 3.337 5 40 IGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 13883109 PRALWHOSCNLRML-UHFFFAOYSA-N 441.469 3.363 5 40 IGBB COC(=O)C1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 16992525 OXJIOLAUZXDAEM-UHFFFAOYSA-N 428.470 3.305 5 40 IGBB N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 100861085 YEYRKQQTYQGSHY-UHFFFAOYSA-N 449.514 3.301 5 40 IGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408667725 KCOWSEVJJAJWCT-KRWDZBQOSA-N 439.468 3.254 5 40 IGBB CC(=O)Oc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409342492 GMMVOOZQHAWGHI-VCHYOVAHSA-N 426.406 3.439 5 40 IGBB CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 8878331 ROJTYGZQYUVOCP-QFIPXVFZSA-N 441.484 3.390 5 40 IGBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)c(Cl)c1 9227431 JXUFHUVZUQSDRA-UHFFFAOYSA-N 432.285 3.302 5 40 IGBB CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)O[C@@H](C)C2 18238386 ZWEVSLYNQNDOIR-AWEZNQCLSA-N 427.457 3.406 5 40 IGBB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H](c1ccc([N+](=O)[O-])cc1)NN2Cc1ccccc1 19171775 BQUOUFFAFFJOTE-VSKRKVRLSA-N 428.448 3.215 5 40 IGBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 21868377 GVSQXIFXLLJVBZ-NRFANRHFSA-N 432.436 3.143 5 40 IGBB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] 32126854 JTHZTSVIBAJLCP-UHFFFAOYSA-N 443.441 3.220 5 40 IGBB C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 9122778 RMCDXTYIXGQFFN-QQQUVDROSA-N 448.479 3.336 5 40 IGBB CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC 9507460 KQBXPRAXZJTELI-UHFFFAOYSA-N 434.880 3.464 5 40 IGBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13659156 HELTVISIBNMGKY-NJDAHSKKSA-N 431.404 3.352 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](c1ccccc1F)N1CCOCC1 95402679 ZGAYCRXIDYOONE-KRWDZBQOSA-N 425.363 3.347 5 40 IGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225383991 KVOAQLCQGSGAKR-SJORKVTESA-N 427.501 3.478 5 40 IGBB C[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 2101667 SDLBNJCXSZNGDR-VIFPVBQESA-N 441.227 3.358 5 40 IGBB C[C@@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 8824695 IXRMZAOAPCFAHT-CQSZACIVSA-N 429.429 3.129 5 40 IGBB Cc1c(NC(=O)CSc2nnc(N3CCCC3)n2C[C@@H]2CCCO2)cccc1[N+](=O)[O-] 10517763 KVQGABLDKLSDSZ-HNNXBMFYSA-N 446.533 3.005 5 40 IGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 20410961 WVWWAJWKZHLSLM-UHFFFAOYSA-N 426.454 3.304 5 40 IGBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 22090430 YQHUFERLDHZYHZ-UHFFFAOYSA-N 434.905 3.492 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102530175 DZEQQNBGZQZUPH-WCAYHLDQSA-N 429.432 3.405 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103528368 NGRVVTWGWQTRJM-NMLBUPMWSA-N 446.463 3.089 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408687781 VCNAPMOSHQGFOL-HDICACEKSA-N 447.447 3.095 5 40 IGBB Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1F 12486251 NRHCYHXOSOXLQO-UHFFFAOYSA-N 449.504 3.068 5 40 IGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cn2cc(Cl)ccc2n1 19431400 AUAVPGRVZRUYIZ-UHFFFAOYSA-N 430.804 3.327 5 40 IGBB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 40148897 UEBRGVBIBLQHGL-AWEZNQCLSA-N 447.289 3.172 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 102699918 FSIMUIITLVUBGL-ISHFTEKXSA-N 449.500 3.033 5 40 IGBB C[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235681 HYLUACICFCGVAD-LSDHHAIUSA-N 431.514 3.115 5 40 IGBB COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1813902 PGVWLOYUTXKJGC-SFHVURJKSA-N 428.505 3.317 5 40 IGBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnnn1-c1ccccc1 9465630 VJKMELOTRNAIRI-UHFFFAOYSA-N 431.377 3.015 5 40 IGBB C[C@@H](OC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 25703356 IPGMRNFDBNHGFM-CQSZACIVSA-N 447.875 3.264 5 40 IGBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)O 215001159 COCXEWIIEUPKJU-RQZCQDPDSA-N 444.421 3.303 5 40 IGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)cc1 224457089 NCJXGCSYFDVWSJ-QGZVFWFLSA-N 427.501 3.335 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2F)o1 408583884 YGAGMRGRFQNLOL-UHFFFAOYSA-N 434.405 3.435 5 40 IGBB Cc1c(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cccc1[N+](=O)[O-] 11776034 CKNHAWIXBQNIRF-UHFFFAOYSA-N 449.393 3.215 5 40 IGBB CSc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1[N+](=O)[O-] 25067138 MEHQVKLQWNADRG-ZDUSSCGKSA-N 442.497 3.153 5 40 IGBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224626240 SSQDELBJXOLCOX-UHFFFAOYSA-N 449.268 3.279 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O 408683861 MITBQSCFGRMUDT-UHFFFAOYSA-N 446.803 3.253 5 40 IGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409237193 ICLDOTJVOODXDL-CXUHLZMHSA-N 428.832 3.342 5 40 IGBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O 409355854 DYBHAPGHNSDQHD-IDUWFGFVSA-N 441.421 3.307 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(NCCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])c1 9112678 VJFPFMKSMODGIA-UHFFFAOYSA-N 429.502 3.122 5 40 IGBB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 11614673 HMCLITKBOBAZHE-SFHVURJKSA-N 427.844 3.461 5 40 IGBB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28193641 NVNPRUVURZSOSX-OAHLLOKOSA-N 443.403 3.194 5 40 IGBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2cccc3ccccc23)CC1 39981622 ZIQKRTVCSJQWIO-UHFFFAOYSA-N 446.463 3.000 5 40 IGBB O=C(Nc1cccc(OCc2ccccn2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48368781 FAFBWNJNXSIDIU-UHFFFAOYSA-N 434.456 3.318 5 40 IGBB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545042 PJWRXRWHOZYPBQ-HNNXBMFYSA-N 441.893 3.440 5 40 IGBB O=C(Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1)c1ccccc1Cl 222715216 BHYRUXADCROJMD-UHFFFAOYSA-N 439.862 3.153 5 40 IGBB CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225443780 YMRRLBSRXOGGJL-ZDUSSCGKSA-N 434.290 3.063 5 40 IGBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 9064796 XEHNGJQIVOCQJP-UHFFFAOYSA-N 445.457 3.239 5 40 IGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCNc1ncccn1 48309800 LWZAVAXQNDXSGP-UHFFFAOYSA-N 443.467 3.008 5 40 IGBB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1CCOc1ccccc1[N+](=O)[O-] 59384405 LEZUPWJYXQXJRO-SFHVURJKSA-N 430.457 3.153 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 96319514 BEQLEQCMELEBAT-KDURUIRLSA-N 434.404 3.090 5 40 IGBB COc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408577231 YTSXMZOZTLFUAX-NRGOMDOESA-N 432.274 3.026 5 40 IGBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 13786614 IKDDKLDLWXZRND-HKBOAZHASA-N 430.420 3.349 5 40 IGBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 17095795 XPVVPBLFFZWINH-UHFFFAOYSA-N 428.470 3.410 5 40 IGBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1cc(F)ccc1[N+](=O)[O-])n2CCC(C)C 18250272 SFVHSDXZDIQGBD-UHFFFAOYSA-N 447.467 3.359 5 40 IGBB COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O 19633691 MOFPQIHULMCMGG-UHFFFAOYSA-N 441.484 3.443 5 40 IGBB Cc1ccc(S(=O)(=O)N(C)c2ccc(I)cc2)cc1[N+](=O)[O-] 224773301 XNSVFXHZUULKLY-UHFFFAOYSA-N 432.239 3.333 5 40 IGBB CNS(=O)(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c([N+](=O)[O-])c1 12559121 RYOMEVKCLANAPI-KRWDZBQOSA-N 435.893 3.091 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218437989 ICLNAUOMUDDHMP-HXUWFJFHSA-N 439.449 3.190 5 40 IGBB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222517949 ZJMKFGAGAWAMAB-KRWDZBQOSA-N 425.894 3.109 5 40 IGBB COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 12570331 KYZUBWRROZKZNP-UHFFFAOYSA-N 439.218 3.170 5 40 IGBB CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccccc1 20051774 NBEUVUREAUBGSI-UHFFFAOYSA-N 445.523 3.320 5 40 IGBB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153065 HMNUQPNWIMQXRU-UHFFFAOYSA-N 444.469 3.116 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 225866411 JPSZMJHFFPSULR-UHFFFAOYSA-N 447.513 3.349 5 40 IGBB CC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1 12765157 FAXBGGHWJOYDSY-UHFFFAOYSA-N 435.839 3.318 5 40 IGBB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024046 OKRAWWUNEYTLLI-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB Cc1cc(C)cc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408671654 SYBRLYFQPLOBDO-INIZCTEOSA-N 425.441 3.055 5 40 IGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3OC)C2=O)cc1 409153000 KNXPSVNABWAIRI-LICLKQGHSA-N 443.437 3.287 5 40 IGBB O=C(Cc1ccccc1)NCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10000717 PLPWSVOZWMRLQH-DEOSSOPVSA-N 432.432 3.421 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)c1 13524438 KCOCKEKWWPKCBR-SFHVURJKSA-N 428.470 3.044 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3cccc(NC(C)=O)c3)o2)c([N+](=O)[O-])c1 9252393 NNPIACPEHYIUSO-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB COC(=O)c1ccc2c(=O)n3cc(C(=O)c4cc(F)ccc4O)cc(Cl)c3nc2c1 12697443 AGCUIIIROLZVCI-UHFFFAOYSA-N 426.787 3.363 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 24236412 JSWGFYVAZXDBJE-HXUWFJFHSA-N 434.456 3.102 5 40 IGBB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 12654394 YLXNFYLMJIFWOP-UHFFFAOYSA-N 432.458 3.253 5 40 IGBB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220404974 COQKITQDXOZKKQ-LLVKDONJSA-N 446.312 3.373 5 40 IGBB CCN(CC(=O)Nc1cc(Cl)ccc1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9439691 KQAIGZLYSJMFPJ-UHFFFAOYSA-N 425.894 3.425 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102084105 UTCAVOOSNXAPSO-SOXBMFEASA-N 429.432 3.405 5 40 IGBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1[N+](=O)[O-] 408932801 FBXDWAQAJHCPQH-SXGWCWSVSA-N 431.401 3.418 5 40 IGBB CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21 9519607 DFKZKVNENCNHSS-UHFFFAOYSA-N 429.498 3.392 5 40 IGBB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 10728352 XQXJQIFSOFTQDJ-UHFFFAOYSA-N 447.513 3.192 5 40 IGBB Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])n1 15167837 PTWXFSNIMWTGEV-UHFFFAOYSA-N 435.550 3.331 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ccncc12 18898796 ZNPNMFDNFJQSRN-UHFFFAOYSA-N 438.509 3.143 5 40 IGBB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 22230211 JLUAPLBRHJDIPO-SFHVURJKSA-N 433.486 3.012 5 40 IGBB CCOc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 22400381 VAVYLNDQHSESOZ-UHFFFAOYSA-N 427.866 3.052 5 40 IGBB COc1cc(C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c([N+](=O)[O-])cc1OC 3498507 QXKOFWMFAHISMO-UHFFFAOYSA-N 443.412 3.356 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCC1 9356463 MZEJHLHNJOOWQS-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB O=C(CCn1cnc2ccc(Br)cc2c1=O)N1CCc2ccc([N+](=O)[O-])cc21 12806641 MEFYGGDIMCGQHD-UHFFFAOYSA-N 443.257 3.047 5 40 IGBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2cccnc2)N1CCN1CCOCC1 20308788 CJVUSJGRPWXEOK-QFIPXVFZSA-N 441.487 3.219 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc(OC)cc1 40127951 GYOFSULFXDMITG-UHFFFAOYSA-N 425.397 3.228 5 40 IGBB CCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176407 CGYYGDFLHRDYHS-CLCOLTQESA-N 436.493 3.039 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102084220 DZEQQNBGZQZUPH-UFOPBENGSA-N 429.432 3.405 5 40 IGBB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020677 FFKNTXWRFRRNMX-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB CC[C@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260507550 MOBMKAJSTHUNGE-VQTJNVASSA-N 431.514 3.333 5 40 IGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2cccc(F)c21 508802711 RMSPKACMVDCWJL-MRXNPFEDSA-N 447.488 3.114 5 40 IGBB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 9495079 CKBJVYGDRFVWBO-LJQANCHMSA-N 430.486 3.444 5 40 IGBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 13137605 MAAOLICGTSWTEW-UHFFFAOYSA-N 427.442 3.288 5 40 IGBB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 22230196 ULKRSNBBWUXYBY-GOSISDBHSA-N 433.486 3.012 5 40 IGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220195891 PBFRDGNVJLDCEE-NSHDSACASA-N 431.392 3.407 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(C)c1C)S(C)(=O)=O 222369756 QCEXSQVKBIHSHS-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649779 AGUQLEKSEDBNIB-GMIXLPSWSA-N 437.404 3.311 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cc(C)ccc2C)c1 408663266 MXYOJRALQIJMAI-UHFFFAOYSA-N 429.429 3.121 5 40 IGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 12926527 BZSXOTRUXASZAK-YHVDPYDOSA-N 429.498 3.368 5 40 IGBB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13075977 GZCQIYIVCKJLCH-FOSCPWQOSA-N 428.363 3.491 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712478 BSZMNCAFHWVCBW-MRXNPFEDSA-N 441.893 3.440 5 40 IGBB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 78902652 RCQDQKNDOJQJFC-UHFFFAOYSA-N 440.275 3.050 5 40 IGBB Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 408655210 LMQMFRZBLYKTNZ-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC([C@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 12558186 NHNBEQPCACMPQQ-OAQYLSRUSA-N 433.530 3.232 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223036929 QCGHIWGQBKEETI-CQSZACIVSA-N 448.317 3.453 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)c1 408668461 LPVKRVYLKGSIKD-UHFFFAOYSA-N 429.429 3.121 5 40 IGBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409022436 NUMNDYFQVPOAPV-DEDYPNTBSA-N 445.435 3.225 5 40 IGBB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc1c32 2215952 GJXYPWXRZMCCRP-UHFFFAOYSA-N 428.422 3.087 5 40 IGBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 8825129 AQMVISBDCWILGP-PXRHCINRSA-N 435.498 3.329 5 40 IGBB CN(CCO)CCNc1cc2oc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 9461510 YULUSXHOIOPQBI-UHFFFAOYSA-N 429.476 3.277 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 12556324 XPVBYUQOJJZDIP-CYBMUJFWSA-N 425.894 3.442 5 40 IGBB CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504061 GRMSWWIWWMWREX-FQEVSTJZSA-N 439.495 3.387 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 40385258 OVINSEHYHYAFTD-CQSZACIVSA-N 442.819 3.037 5 40 IGBB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220407148 UGALDXSYLAFQJP-NSHDSACASA-N 431.392 3.407 5 40 IGBB O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3435035 AVYLUMQDDZZQPX-UHFFFAOYSA-N 431.401 3.488 5 40 IGBB Cc1ccc(P(=Nc2cc([N+](=O)[O-])ccc2C)(N2CCOCC2)N2CCOCC2)o1 9086687 DLGWGQBRXHVVRC-UHFFFAOYSA-N 434.433 3.457 5 40 IGBB O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2sc3c(c12)CCCC3 9562911 QWUALAHAGKDXIO-UHFFFAOYSA-N 425.514 3.094 5 40 IGBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 12999615 CCNDXKSFGGGLFB-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(N2CCOCC2)cc1 18209558 YHCOTRTWADYVGB-UHFFFAOYSA-N 441.469 3.212 5 40 IGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)cccc1[N+](=O)[O-] 19868504 FOWPOPPXAGBNRB-UHFFFAOYSA-N 435.477 3.223 5 40 IGBB CCc1c(C)sc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c1C(N)=O 2794725 PYJIPKLOYVMLEU-UHFFFAOYSA-N 427.486 3.432 5 40 IGBB O=C1N=C(Nc2ccccc2Cl)S[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17195791 UDTUHMYVLPIEBB-ZDUSSCGKSA-N 435.805 3.205 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc2c(c1)CCC(=O)N2 48236684 WZWDNFKBNQAZEW-AWEZNQCLSA-N 444.513 3.437 5 40 IGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 205704876 FUVMUNPHHJVYDG-LICLKQGHSA-N 429.454 3.433 5 40 IGBB CC[C@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547899 TWUXFKSDQZNOHL-QGZVFWFLSA-N 441.550 3.377 5 40 IGBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19643573 FAQLJILWEFIKNO-UHFFFAOYSA-N 445.526 3.253 5 40 IGBB COCc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 224862201 WWNAXCCWKVOWBW-UHFFFAOYSA-N 435.502 3.235 5 40 IGBB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)cc1C 3009166 WEPJATLSGLOOGW-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(Cl)cc1Cl)S(C)(=O)=O 10325304 KXBPPAPVHASVEP-UHFFFAOYSA-N 446.312 3.292 5 40 IGBB CCN(CC)[C@@H](CNC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1)c1cccc(OC)c1 22700681 NERWAQMIYCGRPN-QFIPXVFZSA-N 444.532 3.475 5 40 IGBB C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F 25789285 YZSBSFXLZZOLQS-SNVBAGLBSA-N 425.413 3.265 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 409153032 KPMCDPCEZOXSEI-CXUHLZMHSA-N 443.437 3.292 5 40 IGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8877120 VJHJIWDANJGVFG-SJORKVTESA-N 442.471 3.133 5 40 IGBB biogenic O=C(c1cc([N+](=O)[O-])ccc1N1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9492931 IXDRBCVXWKJXAX-UHFFFAOYSA-N 439.472 3.456 5 40 IGBB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 23177610 DQOWIOMKLQXSBE-RTWAWAEBSA-N 443.525 3.332 5 40 IGBB CC(C)CCn1cnc2c1c(=O)n(Cc1ccc([N+](=O)[O-])cc1)c(=O)n2Cc1ccccc1 13072448 MILGVKYFHTVRTQ-UHFFFAOYSA-N 447.495 3.411 5 40 IGBB COc1ccc(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(OC)c1 32842225 SFXGVIMGPXFFCH-AWEZNQCLSA-N 447.875 3.277 5 40 IGBB COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041401 QZCIDGSGVBJVRX-UHFFFAOYSA-N 434.470 3.285 5 40 IGBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3n2)cc1 8989926 PGPNGOCUTGGBLR-UHFFFAOYSA-N 434.368 3.498 5 40 IGBB CCOC(=O)c1cc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc(C(=O)OCC)c1 9507002 XMYNPEATSGHTAR-UHFFFAOYSA-N 437.426 3.024 5 40 IGBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(S(=O)(=O)c2ccccc2)CC1 13000342 NHOUNKIQUUVKKI-UHFFFAOYSA-N 441.465 3.002 5 40 IGBB Cc1nn2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc3ccccc3c2nc1=O 40157420 BWJPSOHAMKZFGC-UHFFFAOYSA-N 435.553 3.123 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222542677 AOAOEFAPJYTSRD-KSSFIOAISA-N 437.493 3.464 5 40 IGBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409070037 KJODSWLYJPXNIL-JSJZUPIVSA-N 432.410 3.461 5 40 IGBB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 9511979 MCWNHSDMMZNLCR-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB Cc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@H]3C2=O)cc1 102757037 IKDDKLDLWXZRND-QHAWAJNXSA-N 430.420 3.349 5 40 IGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl 113890127 WTGSDBVRIGWRFQ-UHFFFAOYSA-N 449.268 3.279 5 40 IGBB CCc1ccccc1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544785 DVCYQJZPSDZRRP-KRWDZBQOSA-N 435.502 3.349 5 40 IGBB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 408665730 WQPWJNRRSCNAIG-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 409132281 NRBQPZVJQHRJIM-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 409342618 BWGGAROEZHMNJK-UTCJRWHESA-N 427.329 3.071 5 40 IGBB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328728 QQVFDOIFEGZLBR-UHFFFAOYSA-N 440.485 3.118 5 40 IGBB COc1cc(N[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)C2)cc(OC)c1 84086058 HXFGNFVUQXMCGJ-MRXNPFEDSA-N 449.529 3.494 5 40 IGBB CCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21 101144916 CRUPZZTXUKCPOW-UHFFFAOYSA-N 433.487 3.306 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222854098 MFZXCTZZZDKQIM-UHFFFAOYSA-N 427.482 3.139 5 40 IGBB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224699134 JCQYIRQYJRBBLM-KRWDZBQOSA-N 443.500 3.234 5 40 IGBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1 409003573 SVHPPRWJMRAIAM-UHFFFAOYSA-N 432.432 3.269 5 40 IGBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] 9948190 QPXWPAPNQYGTFO-AWEZNQCLSA-N 425.441 3.035 5 40 IGBB COc1ccc(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1[N+](=O)[O-] 11359002 WTTRPYHPNMUBBK-UHFFFAOYSA-N 435.392 3.312 5 40 IGBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142878 NZNXGKPWVVLEFP-UHFFFAOYSA-N 435.820 3.044 5 40 IGBB COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C(F)(F)F)c1 40121820 OTLUXZVNWFYVAP-UHFFFAOYSA-N 425.367 3.371 5 40 IGBB O=C1N[C@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 58331071 BSLMMAWWAUHKCK-SFHVURJKSA-N 447.329 3.154 5 40 IGBB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1343772 UKFNLQKVAPSNCR-KRWDZBQOSA-N 429.408 3.327 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9465112 FLDXEPDGQAGVLW-UHFFFAOYSA-N 430.398 3.113 5 40 IGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)c(OC)c1 20462321 QHXCGEIDNIIQJN-GOSISDBHSA-N 428.397 3.075 5 40 IGBB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]34)cc2NC1=O 36385418 PUVFPCQBSMPODY-WSXQUGQNSA-N 436.468 3.484 5 40 IGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)cc1 409153027 KPDFQDBBCDGCOR-LICLKQGHSA-N 443.437 3.287 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186913 SJZCXZREIRPLFI-UHFFFAOYSA-N 429.907 3.349 5 40 IGBB COc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 16809167 AIMCPSRTIXSDND-ZKKFKWFVSA-N 426.428 3.480 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1cccc([N+](=O)[O-])c1 28173535 SOVRVGADRHXZKV-HSZRJFAPSA-N 437.452 3.273 5 40 IGBB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28193640 NVNPRUVURZSOSX-HNNXBMFYSA-N 443.403 3.194 5 40 IGBB Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640696 WBJLGGZYSVODGC-MJGOQNOKSA-N 431.539 3.487 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 32901239 VNSRRPXYXWHICQ-LJQANCHMSA-N 432.498 3.417 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1 103001037 HHIZQAUXJPMZKN-YYADALCUSA-N 430.464 3.148 5 40 IGBB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773630 BPZUCUZCHJJTEP-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB Cc1nc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1I 14270753 QYVZUPKEJWQEDW-UHFFFAOYSA-N 442.238 3.030 5 40 IGBB Cc1cc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)ccc1[N+](=O)[O-] 16283160 BSHUXROFBAVIHU-UHFFFAOYSA-N 438.259 3.491 5 40 IGBB CC[C@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F 72302499 XVTJPESLWJXOKV-HNAYVOBHSA-N 443.472 3.484 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)CNc2cccc([N+](=O)[O-])c2C)c1 9581182 NPCMUKKBHHYKDY-UHFFFAOYSA-N 434.518 3.293 5 40 IGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 11919195 XKCNNDZKCRXRFS-LBPRGKRZSA-N 430.848 3.084 5 40 IGBB Cc1c(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 16250170 SAZYENRDVSAORT-UHFFFAOYSA-N 432.285 3.469 5 40 IGBB Cc1nn2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc3c2nc1=O 58046951 GYXKRLHNLGDYLY-UHFFFAOYSA-N 425.901 3.008 5 40 IGBB CC[C@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526752 JEULDYBXIRTQQQ-LJQANCHMSA-N 437.493 3.028 5 40 IGBB O=C(COC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649775 AGUQLEKSEDBNIB-CRZZXOEHSA-N 437.404 3.311 5 40 IGBB COc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 16045555 LYCMKWFJGWKFSY-JTQLQIEISA-N 434.865 3.352 5 40 IGBB O=C(NC(=S)Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064688 AGOBVSNLTDDUHI-UHFFFAOYSA-N 443.510 3.168 5 40 IGBB COc1ccccc1N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 9086744 MDUBHEFQLGZXEY-UHFFFAOYSA-N 445.419 3.224 5 40 IGBB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103137799 GZCQIYIVCKJLCH-GHMZBOCLSA-N 428.363 3.491 5 40 IGBB CC[C@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222519367 KSVWUFCFCIVFGH-MRXNPFEDSA-N 441.893 3.440 5 40 IGBB O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1ccc(Cl)cc1 409175316 ZZSZRNCQQKTSJM-ATVHPVEESA-N 428.832 3.182 5 40 IGBB COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c([N+](=O)[O-])c1 8386726 WRXLROMZFPKJAB-UHFFFAOYSA-N 438.308 3.374 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNc1cccc([N+](=O)[O-])c1C 9368389 IMPNTBPUZQGESA-UHFFFAOYSA-N 446.529 3.437 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1 12565264 GZJRTGVFFFEYKS-ZDUSSCGKSA-N 425.894 3.442 5 40 IGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 12622063 KKYXRQMYWMLZAF-INIZCTEOSA-N 431.792 3.423 5 40 IGBB COc1cc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1OC(F)F 23009360 MQAAZWAJCUEXIS-UHFFFAOYSA-N 438.383 3.398 5 40 IGBB Cc1cc(C)n(CCCNC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 23246033 MNOLBURWXCQODI-GOSISDBHSA-N 435.912 3.022 5 40 IGBB COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 40155558 IGASQTSWUQMAQS-AWEZNQCLSA-N 428.363 3.276 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 58305050 OOIUVNOZHJFVLB-ZDUSSCGKSA-N 429.351 3.184 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(COc2ccccc2F)n1 408583840 XJJCCMRYBWGYCI-UHFFFAOYSA-N 433.421 3.170 5 40 IGBB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 408587421 BUWUTTZYOMEKGX-LBPRGKRZSA-N 441.893 3.261 5 40 IGBB O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 409015504 SIKAEDIJZDXIAQ-AWNIVKPZSA-N 436.193 3.295 5 40 IGBB Cn1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 604404318 CAVIGONJSJWJMR-FUHWJXTLSA-N 434.496 3.217 5 40 IGBB biogenic COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 9030704 YUXOLVGDSYIPKY-UHFFFAOYSA-N 446.437 3.486 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812252 HBYCPTVLDSIJPK-ZDUSSCGKSA-N 429.907 3.492 5 40 IGBB CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc([N+](=O)[O-])c2)c(Br)c1 13008135 QPFGPZCACYKVKP-UHFFFAOYSA-N 430.232 3.302 5 40 IGBB COc1cccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 17968969 BUROVQHSIRBAJH-UHFFFAOYSA-N 426.473 3.304 5 40 IGBB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccccc1[N+](=O)[O-] 24934943 JZXDCABCVUXUQC-UHFFFAOYSA-N 432.483 3.241 5 40 IGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 409367777 GFDVCQPUIJLBRA-LQDNNDEMSA-N 440.411 3.200 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cccc2ccccc12 9126130 OTTOTYVLANBESR-UHFFFAOYSA-N 428.466 3.348 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2cccc(Cl)c2)C1 19860324 QYKIBCMMPUJRQR-HNNXBMFYSA-N 437.905 3.429 5 40 IGBB C[N+]1(C)[C@@H]2CC(OC(=O)[C@@H](COC(=O)Nc3ccccc3)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]12 104176394 BFRFVVOBDSBOAF-VJFDXUIRSA-O 437.516 3.319 5 40 IGBB Cc1c(Cl)cccc1NC(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3261907 CHMUWKSILLWCNM-UHFFFAOYSA-N 440.239 3.122 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 8921415 YDQZASDIFITNCK-XITLMJRVSA-N 428.470 3.366 5 40 IGBB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2)c1 9129825 LFHPADREZIEYLQ-UHFFFAOYSA-N 429.230 3.464 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 12556438 LXRZRDPJZBGCNL-CQSZACIVSA-N 430.892 3.408 5 40 IGBB C[C@H](c1ccccc1)N(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57574376 HHRDNWDMHRBPSU-GOSISDBHSA-N 433.512 3.485 5 40 IGBB O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)cc1 95428049 OZFCIDUXIGCZSO-UHFFFAOYSA-N 443.525 3.024 5 40 IGBB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C 8885286 LQHHLRBPNKPDOY-FQEVSTJZSA-N 430.848 3.271 5 40 IGBB C[C@@H]1CCC[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12751741 YKUJIVRURUHOEV-ZIAGYGMSSA-N 443.953 3.438 5 40 IGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 19879088 JKAGJSGDRRPKKZ-INIZCTEOSA-N 426.372 3.167 5 40 IGBB CCCS(=O)(=O)Nc1cccc(NCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1C 58014441 VZIQXLHHRAZJKC-UHFFFAOYSA-N 436.490 3.114 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220407502 WBBOSWOTMIZQEB-LLVKDONJSA-N 427.866 3.050 5 40 IGBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225098269 CVQFGZVSPXRRDA-IBGZPJMESA-N 443.500 3.316 5 40 IGBB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 14756062 PESQUIJHARZZEO-CJNGLKHVSA-N 443.504 3.365 5 40 IGBB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 19867873 PUOYCZQOQXUHLU-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])n2)c1 19928953 GCDUKFVVKJNPQW-UHFFFAOYSA-N 429.458 3.436 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1 101176426 HHIZQAUXJPMZKN-QLYXXIJNSA-N 430.464 3.148 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1F 14815146 ZVUSGLBNJGUMBL-UHFFFAOYSA-N 439.393 3.327 5 40 IGBB CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1 32932681 KSPVUXFHUGDMEY-UHFFFAOYSA-N 438.594 3.184 5 40 IGBB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224747162 OZMQKZVTPIPJSX-UHFFFAOYSA-N 432.239 3.415 5 40 IGBB Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 2078629 NVQWPHHPVPTVDN-UHFFFAOYSA-N 446.510 3.332 5 40 IGBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(Sc3ncccc3[N+](=O)[O-])o2)c1 9492657 POHDXUSLBXNORE-UHFFFAOYSA-N 435.487 3.222 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)/C=C/c1ccc(Br)o1 11194256 HKEHBNICEYOPJZ-QPJJXVBHSA-N 425.191 3.154 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC([C@@H](O)c3ccccc3)CC2)c([N+](=O)[O-])c1 12558185 NHNBEQPCACMPQQ-NRFANRHFSA-N 433.530 3.232 5 40 IGBB O=c1/c(=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2nc3cc(Br)cnc3n12 16384295 IKKZHOSNYBGYSO-QCDXTXTGSA-N 437.662 3.176 5 40 IGBB CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 220421976 GHXYOVIHQLJSSH-IFXJQAMLSA-N 435.502 3.025 5 40 IGBB CC(C)(C)c1ccc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 10532311 DNOZKMFGIDSVGP-UHFFFAOYSA-N 425.485 3.398 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(-c2ccco2)no1 58907911 VICFUQFWSDIBSB-UHFFFAOYSA-N 425.357 3.179 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 222370593 DBCSXWUBBAIOJG-UHFFFAOYSA-N 443.428 3.067 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCc4c3cccc4[N+](=O)[O-])C2)cc1 513840758 HLAANCRQRGRZJG-KRWDZBQOSA-N 443.525 3.283 5 40 IGBB CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@H](C(C)(C)C)C2 2081463 WJEXOVQBBJSHOX-NSHDSACASA-N 435.506 3.214 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1nn(-c2ccc(F)cc2)ccc1=O 8769517 DAWPYPUHFFRYQU-UHFFFAOYSA-N 433.193 3.295 5 40 IGBB C[C@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 9128971 JTZVSWCZJFFSGG-CRALRDPISA-N 443.481 3.075 5 40 IGBB Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 12643455 RWENYEUJWDMLPN-UHFFFAOYSA-N 426.498 3.271 5 40 IGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C[C@@H]1COc2ccccc2O1 2636465 ITZBQFKUYCOTFV-OAHLLOKOSA-N 440.408 3.486 5 40 IGBB COc1cccc2sc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)nc12 9313780 ZEAZEZAURYJMDI-UHFFFAOYSA-N 437.437 3.320 5 40 IGBB Cc1csc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)n1 9689806 TVHFBSNWGLRDKT-UHFFFAOYSA-N 444.922 3.053 5 40 IGBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14270414 KPQKRAUUGSWCAH-UHFFFAOYSA-N 444.473 3.125 5 40 IGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 30497059 MACPPWRBAOTMKS-MRXNPFEDSA-N 434.470 3.291 5 40 IGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408661163 OHMIIFRIGPNOLH-QGZVFWFLSA-N 439.468 3.254 5 40 IGBB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC)C1 9347537 MMVNLGKOWCENOQ-UHFFFAOYSA-N 433.442 3.210 5 40 IGBB O=C1N[C@@](c2ccccc2)(C(F)(F)F)C(=O)N1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 58331070 BSLMMAWWAUHKCK-GOSISDBHSA-N 447.329 3.154 5 40 IGBB COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 10362670 YSFBJJRNELXBGB-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] 10517653 PHHPGCVBMJLUFD-MRXNPFEDSA-N 428.413 3.234 5 40 IGBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl 10766369 DZTGGQCDTXGVPY-UHFFFAOYSA-N 443.934 3.414 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(Oc3cccc4c3OC(C)(C)C4)c([N+](=O)[O-])c2)CC1 12785807 XOWLKASDGJEWCC-UHFFFAOYSA-N 447.513 3.037 5 40 IGBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 9491688 VNAAQOSEXKXELT-OAHLLOKOSA-N 446.529 3.334 5 40 IGBB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 223478519 TVFRAPDSTKEHBN-QGZVFWFLSA-N 433.530 3.472 5 40 IGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408660622 WPXUOCRRRDSUKQ-RYGJVYDSSA-N 447.447 3.175 5 40 IGBB CC(=O)N1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 12378145 NHOIDUAINZBBTP-UHFFFAOYSA-N 444.494 3.127 5 40 IGBB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 12653973 LERPNFYBOKBHQB-UHFFFAOYSA-N 432.458 3.253 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 18246929 KHHPTXFRMFAHBB-KDURUIRLSA-N 434.404 3.090 5 40 IGBB CC[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCc2ccccc2C1 32829952 JAYFXFIAIYZXJL-OAQYLSRUSA-N 438.528 3.316 5 40 IGBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 36332852 ATWQAAQIKJQUBD-UKPHBRMFSA-N 441.502 3.159 5 40 IGBB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 58175069 YJOQXYTWKPCNID-UHFFFAOYSA-N 442.426 3.033 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 89969044 PPNMRVAUNSDIEP-JLHYYAGUSA-N 446.529 3.343 5 40 IGBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225381901 YWKFWODJLIBZND-KRWDZBQOSA-N 449.529 3.254 5 40 IGBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1O 408881128 JRIZJFIOAKRDAG-CHHVJCJISA-N 447.400 3.123 5 40 IGBB CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 409265366 UMCZSEDUWSGOBS-UHFFFAOYSA-N 441.893 3.200 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)C(F)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 2752691 SYIDTIMDSKCUOZ-UHFFFAOYSA-N 430.270 3.351 5 40 IGBB COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2cccnc2)cc1 6151056 GFRVENCHVWWLEF-BKUYFWCQSA-N 432.436 3.086 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9069274 SVQXZHLYWFJECZ-INIZCTEOSA-N 439.877 3.049 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[S@@](=O)C3)cc1 11726336 UUTBCSKSSVEJMX-PMERELPUSA-N 446.872 3.457 5 40 IGBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl 28294113 GRGSHAQGEIIIQT-NSHDSACASA-N 445.781 3.095 5 40 IGBB C[C@H](CCc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222365030 DJIWEBFSRNYAAZ-QGZVFWFLSA-N 433.530 3.279 5 40 IGBB O=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 8783345 CLKZAOJOJYRCTB-HRZAVBMWSA-N 440.411 3.170 5 40 IGBB CCOc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2=O)cc1 9518180 MZYXEOZLBFZINJ-UHFFFAOYSA-N 441.469 3.204 5 40 IGBB CCOC(=O)[C@]1(C)C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 100067429 VYLNKUVDNLJPIR-FQEVSTJZSA-N 426.385 3.167 5 40 IGBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C3CCCCC3)c(=O)n2c1 100810858 YJSIVMJQIXYFLO-UHFFFAOYSA-N 442.523 3.267 5 40 IGBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12524573 RIYGULFQJBIZLO-FQEVSTJZSA-N 444.557 3.450 5 40 IGBB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220385067 PJQMLLGEGMGCLI-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O 409410688 OKLWCLCMMMUMFM-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc12 10275879 OSBWXKXYDJHOKV-UHFFFAOYSA-N 446.799 3.224 5 40 IGBB CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 57991046 WTZXQTZXRGVVHZ-UHFFFAOYSA-N 442.877 3.011 5 40 IGBB COc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 103618332 ZQUYTOZKARLXOD-RBBKRZOGSA-N 442.431 3.386 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260842793 XHJMWDNHLGGVAU-MRXNPFEDSA-N 445.541 3.425 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408659024 VKSIEMSBNDMKLD-JJXUHFIVSA-N 447.447 3.032 5 40 IGBB CN(C)CCNc1cc(C(=O)c2cc(Cl)ccc2O)cn2c(=O)c3ccccc3nc12 23865063 BGURYYYMYJGXSW-UHFFFAOYSA-N 436.899 3.411 5 40 IGBB Cc1cccc(CCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222366155 PWGIUPZBXUXIGV-UHFFFAOYSA-N 433.530 3.198 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408680788 GRCFGKIIDSZHDH-WOJBJXKFSA-N 447.447 3.095 5 40 IGBB COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)sc2c1CCC2 2786238 APAZAVKCCURGDP-UHFFFAOYSA-N 432.380 3.094 5 40 IGBB COc1ccc(-c2noc(CN(C(C)C)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 12654399 YTTLXWWPGLHOBQ-UHFFFAOYSA-N 432.458 3.253 5 40 IGBB COc1ccccc1[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N(C)C 12785846 UMWHTDNMIJLCLN-FQEVSTJZSA-N 448.545 3.103 5 40 IGBB CCn1ncc(-c2ccnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c1C 17095804 OJPMSCWWTJKDJU-UHFFFAOYSA-N 428.474 3.316 5 40 IGBB Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cccc1[N+](=O)[O-] 17098003 YSELILRUAAXFKF-SECBINFHSA-N 432.527 3.315 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1C(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 60823421 MCXAUMKBNKAESE-UHFFFAOYSA-N 427.354 3.480 5 40 IGBB Cc1nc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc2)n[nH]1 69530819 NMLRJNCVCWHTSX-LJQANCHMSA-N 442.501 3.007 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)C1CCCCC1 103627918 GRXUBJYFVJTIEP-QLYXXIJNSA-N 436.512 3.414 5 40 IGBB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113886234 GCANMMYDNGKMKK-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1[N+](=O)[O-] 138898757 FDWVENGBBOWJGF-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB O=C(N1CCN(c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)CC1)C(F)(F)F 889796 HGNADKJXMAMJLS-UHFFFAOYSA-N 431.374 3.416 5 40 IGBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 3497221 SNVCMIBXGWWAGF-UHFFFAOYSA-N 434.865 3.353 5 40 IGBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cc1[N+](=O)[O-] 21124582 VELHUGGQZRQHIL-UHFFFAOYSA-N 436.390 3.366 5 40 IGBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)ccc1[N+](=O)[O-] 219822476 GHUAMELXOUQDDV-UHFFFAOYSA-N 425.397 3.144 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 223701786 NVPKQTDLVGHLNN-INIZCTEOSA-N 433.530 3.195 5 40 IGBB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777430 DHWLYFLLSGQUME-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225119182 ZGFLTGRWMWCKKP-UHFFFAOYSA-N 446.840 3.154 5 40 IGBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1Cc1ccccc1F 409106131 MEPKHNCBABKYOV-MKMNVTDBSA-N 436.193 3.295 5 40 IGBB COCCNc1ccc(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 10904921 DBQQXBYVSANXBU-UHFFFAOYSA-N 437.500 3.445 5 40 IGBB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 11615410 GCZABSYAXSQLMG-IBGZPJMESA-N 425.416 3.337 5 40 IGBB CC(C)[C@@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 12764536 MDWDVSYXGYPJOI-HXUWFJFHSA-N 447.875 3.263 5 40 IGBB COc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)cc(OC)c1OC 15320075 ONHBLNDPORZXJI-UHFFFAOYSA-N 441.849 3.106 5 40 IGBB Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 33620361 KAXZOCDYGXFXIP-UHFFFAOYSA-N 448.932 3.159 5 40 IGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cn2ccsc2n1 58305341 VOCOLGLRVNZECX-OAHLLOKOSA-N 435.893 3.028 5 40 IGBB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980425 KKEUDHBKUNTJNE-FOCKTWCOSA-N 435.433 3.361 5 40 IGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220455976 OTIBHCXLSXUAEM-VIFPVBQESA-N 433.820 3.320 5 40 IGBB CC1(C)Cc2cccc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])c2O1 15210730 FTBAFCYWHGGAES-UHFFFAOYSA-N 434.470 3.122 5 40 IGBB CCSc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 20486808 AXXALKNYSTVPGA-UHFFFAOYSA-N 439.515 3.120 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)C1CC1 103628756 CCQSUVBMWDVFNH-QLYXXIJNSA-N 434.496 3.168 5 40 IGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225005546 BUUVPAKNBOZMQR-DLBZAZTESA-N 443.500 3.314 5 40 IGBB O=C(C1CCCCC1)N1CCC(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 32436878 WCKFFIMFVMFITK-UHFFFAOYSA-N 429.926 3.098 5 40 IGBB Cc1c([C@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40071069 UITUUBIYJPASQC-ZDUSSCGKSA-N 435.419 3.300 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225493127 ARPIVQZVBVXWDW-KRWDZBQOSA-N 443.500 3.233 5 40 IGBB O=C1N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 8828034 OSOBTAOJDNLXNR-HZPDHXFCSA-N 441.387 3.226 5 40 IGBB CS(=O)(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 9127415 NKEVRKJPEXRNKB-UHFFFAOYSA-N 429.420 3.344 5 40 IGBB COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 10433867 NOSXOKVKOXWUKN-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC1CCCCC1 20051777 LYRMKIWOPWBJCD-UHFFFAOYSA-N 437.544 3.452 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@H]1CCCC[C@H]1C 58907976 HXQXBJMNWVUBLY-PBHICJAKSA-N 430.461 3.031 5 40 IGBB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113875462 MGZBRNDNEQYQDQ-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB Cc1ccc(CCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222366066 SZJDOYIZNIXYCJ-UHFFFAOYSA-N 433.530 3.198 5 40 IGBB CS(=O)(=O)N(CCCC(=O)Nc1ccc(N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 224933446 BRYYDXOZQQNOJT-UHFFFAOYSA-N 446.529 3.380 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 1219716 KJUOOIWMFCZXRI-PMECCGAFSA-N 449.500 3.318 5 40 IGBB CC(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 15168627 UYRPMMYHYDOZDW-UHFFFAOYSA-N 433.530 3.376 5 40 IGBB O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)OCc1nc(COc2ccc(F)cc2)no1 32933299 XAVSVVSWTYBWQN-UHFFFAOYSA-N 441.375 3.179 5 40 IGBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33776615 MKRSRFKDXQNKFK-IBGZPJMESA-N 432.473 3.361 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 39964017 KWDUGGMABHDUEO-LPHOPBHVSA-N 435.440 3.040 5 40 IGBB CC(C)(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cnnc3)CC2)cc1 70461858 OAEMJDXVBHJCMJ-UHFFFAOYSA-N 434.500 3.435 5 40 IGBB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077496 BMRJYPPJZAFYLF-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408647538 JKQANYLMJMRLDO-XPGWFJOJSA-N 449.463 3.399 5 40 IGBB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 408664482 QYSWQKFOSVHBJG-UHFFFAOYSA-N 441.440 3.397 5 40 IGBB CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 15816616 XWNHMPFUWUDJON-CQSZACIVSA-N 434.493 3.001 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 17098372 UJCABCQXBCMLJQ-UHFFFAOYSA-N 433.427 3.248 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1cccc([N+](=O)[O-])c1 25017197 WLVRABGXACBSFP-INIZCTEOSA-N 433.420 3.283 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)s1 25055571 QSZJAEYUBISZDX-LBPRGKRZSA-N 427.479 3.143 5 40 IGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222494313 UHXAKVXNOYQZNA-OAHLLOKOSA-N 441.893 3.440 5 40 IGBB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544482 LYMKFQMXYUJFSS-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 8878873 WLLPORYRBPXYLK-UHFFFAOYSA-N 445.475 3.375 5 40 IGBB biogenic O=C(O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 9056373 CLKZAOJOJYRCTB-IYZJKTGWSA-N 440.411 3.170 5 40 IGBB O=[N+]([O-])c1ccc(NCc2cccc(C(F)(F)F)c2)c(S(=O)(=O)N2CCOCC2)c1 12563748 AFHNCAIIIYGZON-UHFFFAOYSA-N 445.419 3.247 5 40 IGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 32909961 PGPLOVWNOQUGNM-UHFFFAOYSA-N 443.437 3.404 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccccc1[N+](=O)[O-] 36184260 DETWJJPLCOZSAC-UHFFFAOYSA-N 445.387 3.191 5 40 IGBB COc1cc(CC[C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)ccc1O 2107246 YDIOODKHMXDQNW-ROUUACIJSA-O 430.521 3.196 5 40 IGBB biogenic CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 2502276 MDFXIAAFEUNZRD-ZENOOKHLSA-N 429.376 3.102 5 40 IGBB Cc1c(C(=O)NC(=S)Nn2c(C)nnc2SCc2ccccc2)cccc1[N+](=O)[O-] 8831545 CCXAPCGQGYMYSF-UHFFFAOYSA-N 442.526 3.354 5 40 IGBB Cc1ccc(C)c(OCCOC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c1 9254915 MRHCAXJYMWMOEM-UHFFFAOYSA-N 429.458 3.122 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812266 KLHMIETYFJIRNO-CYBMUJFWSA-N 429.907 3.492 5 40 IGBB COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)cc1 12414106 BNTFUAUYISGAAR-UHFFFAOYSA-N 429.885 3.335 5 40 IGBB C[C@@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400558 UAUXBZQXABLGJH-NSHDSACASA-N 442.291 3.151 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 408558725 SRCNKJZDJGGMLU-MRXNPFEDSA-N 447.513 3.341 5 40 IGBB Cc1ccc(CNC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57574231 JWDSJCPNDFBHNA-SFHVURJKSA-N 433.512 3.278 5 40 IGBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1C 108271674 LZDRERUVJRFTPA-UHFFFAOYSA-N 447.513 3.260 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409137907 XDTKVHUOJQUZPT-UHFFFAOYSA-N 428.430 3.338 5 40 IGBB C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8885277 PZUUNJIPWTWTHC-SFHVURJKSA-N 437.239 3.307 5 40 IGBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 9442882 KOCZGNDQRIDVFG-UHFFFAOYSA-N 447.875 3.457 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187226 VVQXERJXNNPBFY-LBPRGKRZSA-N 445.906 3.110 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ccncc12 12557626 ZNUDDIZPHHJGPR-UHFFFAOYSA-N 438.918 3.369 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 14801343 GJBIDUSRXYMXPT-UHFFFAOYSA-N 444.447 3.439 5 40 IGBB O=C(NN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O)c1ccc(Br)cc1 95470976 KEXNEGIBRBXRML-UHFFFAOYSA-N 440.209 3.452 5 40 IGBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 102798816 IHGXQWDGNSOYBF-GXRSIYKFSA-N 445.475 3.463 5 40 IGBB COc1cccc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)c1 9829063 ZXXMZQQLDITRDO-UHFFFAOYSA-N 436.453 3.439 5 40 IGBB COc1ccc([C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)N2CCCC2)cc1 15329330 KPMKGHIOYJBXKM-HXUWFJFHSA-N 433.530 3.336 5 40 IGBB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1OC 17096443 VAIXYZKMFOPABE-UHFFFAOYSA-N 429.458 3.138 5 40 IGBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cccc1C(=O)O 17101878 FTPNDJHDDNSRID-UHFFFAOYSA-N 438.259 3.491 5 40 IGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153337 LEDVPDOQWVGJKD-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB O=C1NCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl 96010177 FGMXKJBOQNIGBM-HNNXBMFYSA-N 438.665 3.324 5 40 IGBB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2 199413980 BQSINFQQJPBFIT-UHFFFAOYSA-N 440.412 3.174 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1cn2cc(Cl)ccc2n1 9245252 KWHTVEKCIFWCLI-UHFFFAOYSA-N 436.877 3.259 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 9331626 FSIMUIITLVUBGL-VAWZGJIGSA-N 449.500 3.033 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9402824 JSWQMUBWDMARPT-UHFFFAOYSA-N 432.502 3.128 5 40 IGBB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 9423113 SYYZSHSUUWGNRU-ODIIQCJHSA-N 445.475 3.461 5 40 IGBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc(C(=O)O)c1O 20153354 LQYVHWDTOWBYBB-UHFFFAOYSA-N 444.469 3.034 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)C2)s1 25055566 QSZJAEYUBISZDX-GFCCVEGCSA-N 427.479 3.143 5 40 IGBB COc1ccc(Br)cc1CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1OC 3415785 IUUGILJCQVHQHU-UHFFFAOYSA-N 438.278 3.445 5 40 IGBB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2n1 15783904 BFVUSSMJRCYLFT-UHFFFAOYSA-N 443.510 3.195 5 40 IGBB CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 78968178 KCXDJOKVOFQXEC-LJQANCHMSA-N 433.530 3.329 5 40 IGBB COC(=O)COc1ccccc1/C=C1\SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 979788 HLYMTRUDLJRPMN-YVLHZVERSA-N 428.422 3.383 5 40 IGBB CCCC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 6481567 BYQAWHPUMXIMMG-QGZVFWFLSA-N 439.424 3.175 5 40 IGBB Cc1cc(=O)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 15589989 RCKVVFMHTVSUJI-UHFFFAOYSA-N 446.385 3.440 5 40 IGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 408666402 ZJGCTNPCFHFCDN-UHFFFAOYSA-N 444.400 3.102 5 40 IGBB CCOc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222620608 AHAGPHJONQHMQY-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 408689265 YAFPXFUVTUZBCH-OALUTQOASA-N 435.436 3.010 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 8918651 DOFAJULQEYVWNM-CEDHKZHLSA-N 433.464 3.176 5 40 IGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3nccn3C(F)F)c([N+](=O)[O-])c2)C1 12544541 GCJQPOCOIQQYHG-ZDUSSCGKSA-N 443.476 3.243 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408687783 VCNAPMOSHQGFOL-QZTJIDSGSA-N 447.447 3.095 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108978896 BVFUDZWOBQLDIA-UHFFFAOYSA-N 439.472 3.456 5 40 IGBB Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1[N+](=O)[O-] 924598 KXXVGVVMMGVYSR-UHFFFAOYSA-N 437.485 3.161 5 40 IGBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 5943883 CTCZKWJWNLBWSG-UHFFFAOYSA-N 427.486 3.280 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)c1 13524433 KCOCKEKWWPKCBR-GOSISDBHSA-N 428.470 3.044 5 40 IGBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 89774624 CBNMXCAVXCOHLH-NRFANRHFSA-N 426.860 3.254 5 40 IGBB O=C(c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1)N1CCN(Cc2ccccc2)CC1 20150132 MLWXFIPSTWMNJP-UHFFFAOYSA-N 439.903 3.451 5 40 IGBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@H](c2ccncc2)N1CCN1CCOCC1 20308782 YPDQGPPKIFTISK-QFIPXVFZSA-N 441.487 3.219 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc3C2)cc1 22906644 RXZFBHDIVOKWTI-QFIPXVFZSA-N 438.509 3.068 5 40 IGBB COc1cc(OC)c(C2=CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C)CC2)c(OC)c1 27966944 NYKPKSROAJCIFR-UHFFFAOYSA-N 448.497 3.407 5 40 IGBB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998219 ARLQNVPJSRSIBD-SFHVURJKSA-N 428.441 3.457 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C 9499529 CHDUWEKDXAPJPO-CYBMUJFWSA-N 427.486 3.442 5 40 IGBB C[C@@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 16320208 IXHYVNYBRHBLKV-OAHLLOKOSA-N 439.468 3.104 5 40 IGBB CCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820819 AWIJQCGVBGCRIG-MEFGMAGPSA-N 448.454 3.116 5 40 IGBB CC(C)C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3223021 OUHCHGXHBHLEPM-QGZVFWFLSA-N 442.399 3.171 5 40 IGBB CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 9030663 VLDJBOWIJOTWQP-UHFFFAOYSA-N 428.422 3.415 5 40 IGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] 9667934 RFOQQZCVQFPDTH-UHFFFAOYSA-N 447.513 3.485 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O 10434410 DPRBIKHXEIDBSN-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB COc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 12522094 OGSIIPAXEPHMBU-UHFFFAOYSA-N 426.473 3.304 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102530289 SZXYXMSXHZEREB-WCAYHLDQSA-N 429.432 3.405 5 40 IGBB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538104 RBJFYEUEFJZVSS-QGZVFWFLSA-N 439.921 3.418 5 40 IGBB CCOC(=O)N1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(=O)OC)C1 9347538 DFAPTGXKYZOJIS-UHFFFAOYSA-N 433.442 3.210 5 40 IGBB C[C@@H](OC(=O)CSc1ncnc2sccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9592757 NWVCENHCZGHHIE-SECBINFHSA-N 436.446 3.401 5 40 IGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 22907624 YDCIONDKHZMYOQ-HXUWFJFHSA-N 434.452 3.042 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 89929772 HHLCRSRHISIMRX-CQSZACIVSA-N 433.486 3.419 5 40 IGBB Cc1c(N(CC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] 220035075 ROMGKNACVCNKJI-INIZCTEOSA-N 447.513 3.088 5 40 IGBB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545252 CXCAMSUJNGXORU-OAHLLOKOSA-N 441.893 3.440 5 40 IGBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4009104 VBOPKTYHIIMLBP-WWGRRREGSA-N 429.376 3.102 5 40 IGBB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)nn12 19629564 DXQAKHZXIXNCAX-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)N1CCCC1 106764784 MKUFNJMTKWDNAO-ATVHPVEESA-N 426.454 3.044 5 40 IGBB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223280822 AJQMNYHLTCJHPT-LEWJYISDSA-N 436.541 3.315 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408683187 KRPRUTYGAATPCA-YWMUFLPLSA-N 447.447 3.032 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@@H]1COc2ccccc2O1 12565863 KKEBTUCWFAQFFL-MRXNPFEDSA-N 447.513 3.411 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 30952151 GNNLJFLPAXZFGV-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408596797 SGIPAOUQZFBHLW-NRFANRHFSA-N 439.493 3.432 5 40 IGBB Cc1c(NC(=O)[C@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)cccc1[N+](=O)[O-] 533274956 HYGSMURVICKSRG-SFHVURJKSA-N 428.537 3.216 5 40 IGBB CCOC(=O)Cc1csc(NC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)n1 3196985 UASVRELQIFZWQB-ZZXKWVIFSA-N 427.385 3.410 5 40 IGBB COc1ccc(/C=C/C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 3434931 LLBWKJQDPCRUIC-XBXARRHUSA-N 443.437 3.417 5 40 IGBB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(Br)c1 12914804 XZMNDXJZZSXDLD-UHFFFAOYSA-N 447.238 3.474 5 40 IGBB O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13635421 CWMWBHQDFXSEDL-YRSZXAOTSA-N 440.411 3.230 5 40 IGBB C[C@@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222807161 CEGXJEMSPWOKLW-HNNXBMFYSA-N 427.482 3.219 5 40 IGBB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461891 ZPXPBHTTYFFIDH-UHFFFAOYSA-N 447.282 3.445 5 40 IGBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1Cl 224627571 ZHIJQDGLEFIRCW-UHFFFAOYSA-N 449.268 3.499 5 40 IGBB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CCOCC2)cc1[N+](=O)[O-] 1149911 VLZKCKGIQFYCNP-CSKARUKUSA-N 434.452 3.328 5 40 IGBB CCCCn1cc2c(c1-c1cc([N+](=O)[O-])ccc1Br)c(=O)n(C)c(=O)n2C 8739814 LCAPLDVXOTUNHJ-UHFFFAOYSA-N 435.278 3.177 5 40 IGBB O=C(CSc1nnc(-c2ccncc2)n1C[C@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 9059398 ZAYCGCPZVFURNY-QGZVFWFLSA-N 440.485 3.158 5 40 IGBB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 19645372 YNBRFVDCEVLVQF-UHFFFAOYSA-N 446.891 3.174 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 35808619 DOFNEERPAASDCH-MEKIYTOJSA-N 428.448 3.366 5 40 IGBB Cc1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)cccc1[N+](=O)[O-] 38860274 GJNHBNDOKYAGOH-LJQANCHMSA-N 447.513 3.366 5 40 IGBB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 101169170 RRLRTYLZAZPELC-SCYDXJQRSA-N 449.500 3.318 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC1CCCCCCC1)S(C)(=O)=O 222370842 XLWSEMPKPJFNDN-UHFFFAOYSA-N 441.550 3.379 5 40 IGBB O=C(COC(=O)c1ccccc1I)Nc1cc([N+](=O)[O-])ccc1F 3283324 DTJXWIBLAFUYNP-UHFFFAOYSA-N 444.156 3.134 5 40 IGBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N)cs1 15934646 QZSARQDVUCHZBL-UHFFFAOYSA-N 426.454 3.480 5 40 IGBB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 9064680 CHJVUAAHRTVHFS-UHFFFAOYSA-N 444.513 3.387 5 40 IGBB O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 9234463 HVYMNOLZEFMAHK-UHFFFAOYSA-N 429.388 3.364 5 40 IGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9638278 GLFXKKLNNCTNSQ-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB O=C(OCc1csc(-c2ccccn2)n1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 10722171 CCDDPUJZZNOSGF-UHFFFAOYSA-N 426.454 3.307 5 40 IGBB CCS(=O)(=O)c1ccc(Sc2nnc(COc3ccccc3)n2C)c([N+](=O)[O-])c1 12412548 UJDMOKHEDRUVNO-UHFFFAOYSA-N 434.499 3.247 5 40 IGBB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 32999814 LFJRZOLGYJLFJC-LEWJYISDSA-N 441.528 3.497 5 40 IGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223596752 ZPEWUAPMMSAHIW-UXHICEINSA-N 440.481 3.223 5 40 IGBB Cc1c(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 409319150 BANXWUGZSWCUEB-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB O=C(OCc1cc(=O)n2cc(Br)ccc2n1)c1cc([N+](=O)[O-])ccc1Cl 3523572 DFTJTXGWOOWEJV-UHFFFAOYSA-N 438.621 3.376 5 40 IGBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@@H]3c1cccc([N+](=O)[O-])c1 8856341 QRKNGJHHCUMDAH-HXUWFJFHSA-N 437.452 3.207 5 40 IGBB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9597140 GUQVOCLFFGKKDS-UHFFFAOYSA-N 441.484 3.352 5 40 IGBB C[N+](C)(CCOC(=O)CCC(=O)OCC[N+](C)(C)Cc1ccccc1)Cc1ccccc1 16248938 ZWTYUTCDFRLWGM-UHFFFAOYSA-N 442.600 3.406 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(F)cc1F 57466846 AHNUQFRKILKPLX-UHFFFAOYSA-N 427.411 3.182 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1F 101176444 HEHKNXNSOXOUKW-MEFGMAGPSA-N 448.454 3.287 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(F)c1 103001054 SHKMRAQXMYJNFB-SZXQPVLSSA-N 448.454 3.287 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225591847 URWIVYQGBXFNEN-HNNXBMFYSA-N 447.463 3.063 5 40 IGBB COC(=O)c1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1 9491426 MEFXRAVHRLGKKS-UHFFFAOYSA-N 440.452 3.020 5 40 IGBB Cc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 9662631 QOGOPFMJFGZNLC-UHFFFAOYSA-N 427.457 3.112 5 40 IGBB CS(=O)(=O)c1ccc(SCC(=O)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 16768131 ULXXPNDGKYEFST-UHFFFAOYSA-N 446.300 3.459 5 40 IGBB CCN(CC(=O)NCc1cccs1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 22020528 QLWJWYNPECIPNG-UHFFFAOYSA-N 433.533 3.381 5 40 IGBB COc1ccc(-c2csc(NC(=O)COc3ccc(C)nc3[N+](=O)[O-])n2)c(OC)c1 27125832 YBMOCWFWYAJHFJ-UHFFFAOYSA-N 430.442 3.456 5 40 IGBB Cc1ccc(S(=O)(=O)NNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 12659218 DPEQFBVIKOUCFG-UHFFFAOYSA-N 435.314 3.390 5 40 IGBB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)s2)c1 225861284 NBRDOLGWHDUVBH-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O 408656961 SZLWYEBBULCHEB-LBPRGKRZSA-N 429.816 3.026 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409125599 DDCVWECONPRPJY-CAOOACKPSA-N 444.421 3.303 5 40 IGBB O=C1NC(=S)N/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 9310310 MBDVSOXLTWOOHI-RIYZIHGNSA-N 434.271 3.282 5 40 IGBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 17096899 BYDSNDOYIRSFDV-UHFFFAOYSA-N 430.486 3.339 5 40 IGBB Cc1ccc([C@@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C2CC2)cc1 35306364 NJQVJOBMOJSXLV-JOCHJYFZSA-N 444.557 3.403 5 40 IGBB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3[N+](=O)[O-])C2=O)cc1 8946741 HIHNEPCCZKRNAM-JOCHJYFZSA-N 442.447 3.437 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nc(-c2ccccc2)n[nH]1 12732981 BANYOCPGSNIMCB-UHFFFAOYSA-N 431.499 3.316 5 40 IGBB COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224763473 IONBAYPUEWNZOW-UHFFFAOYSA-N 434.470 3.285 5 40 IGBB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc1c32 2238959 NWOIBRDLQNAMNO-UHFFFAOYSA-N 437.364 3.447 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 13027998 CPMVLTXSOJBYFH-SECBINFHSA-N 448.526 3.015 5 40 IGBB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 15882749 TVFXRXCRAPJDBW-UHFFFAOYSA-N 444.451 3.260 5 40 IGBB COc1ccc(NC(=O)CCN2CCC[C@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 26340951 CVZPURJKJCEVOS-INIZCTEOSA-N 426.473 3.283 5 40 IGBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1 70461892 NVOIGYBNJANYMR-UHFFFAOYSA-N 447.282 3.445 5 40 IGBB COc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c(C)cc1[N+](=O)[O-] 12660208 OQMWYKJFJVUDNG-UHFFFAOYSA-N 448.892 3.268 5 40 IGBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](c2cccnc2)N1CCN1CCOCC1 20308791 CJVUSJGRPWXEOK-JOCHJYFZSA-N 441.487 3.219 5 40 IGBB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)O2 38853974 OBNWLSXUJMGBLK-SFHVURJKSA-N 433.486 3.058 5 40 IGBB CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 220422038 GHXYOVIHQLJSSH-LIRRHRJNSA-N 435.502 3.025 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 408652433 OMCYWQXKTBCRSX-OALUTQOASA-N 435.436 3.010 5 40 IGBB COc1cc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 864528 RSLSNBDBJLVBAK-GOSISDBHSA-N 440.499 3.057 5 40 IGBB O=C(O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 9056375 CLKZAOJOJYRCTB-CCQQUTMYSA-N 440.411 3.170 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)o2)c([N+](=O)[O-])c1 9226295 WYJSADBLCCUTBP-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[S@@](=O)C3)cc1 9413755 IIHYMUWRXGRVRF-PMERELPUSA-N 446.872 3.457 5 40 IGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NCC(C)C)c1 224425277 IDIAARIYTHATEN-QGZVFWFLSA-N 427.501 3.335 5 40 IGBB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cc1[N+](=O)[O-] 12561569 BXUPVVFFYRTOFL-NRFANRHFSA-N 438.484 3.122 5 40 IGBB CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17095388 CYLCYGZUDRAEAF-UHFFFAOYSA-N 427.486 3.280 5 40 IGBB CS(=O)(=O)N(CC(=O)Nc1ccc(OC2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 22347956 RJVBQZCRNFCEQK-UHFFFAOYSA-N 433.486 3.321 5 40 IGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409360114 PBBFKCVRXVXWFO-RQZCQDPDSA-N 443.393 3.431 5 40 IGBB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1407217 TUNMQZQELJCISV-UHFFFAOYSA-N 444.403 3.163 5 40 IGBB COC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408750496 NVGFPHFRCCWKSM-UHFFFAOYSA-N 447.450 3.420 5 40 IGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)cc1 409105584 ISMSIOQSPXZPIG-MHWRWJLKSA-N 443.437 3.374 5 40 IGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C 409343335 GUHCIJRWKCUYBH-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB O=C(NCc1ccccc1F)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 8883294 YTZCERVMEMBOIH-UHFFFAOYSA-N 430.413 3.432 5 40 IGBB CO[C@H](C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 14608551 VCXILYATOBOWIQ-URZXNRHOSA-N 437.495 3.275 5 40 IGBB COc1cc(OCC(=O)Nc2ccc(I)cc2)ccc1[N+](=O)[O-] 22259449 HIBBPMJHLFABHE-UHFFFAOYSA-N 428.182 3.226 5 40 IGBB COc1ccccc1NC(=O)C1CCN(CCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 29909022 HVKZIQFOCLHFRQ-UHFFFAOYSA-N 426.473 3.283 5 40 IGBB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 32934445 ZOMWAGKUCMFJIR-HXUWFJFHSA-N 443.891 3.087 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100555649 GYUVJWXUBXFNJA-PBFVBANWSA-N 448.431 3.170 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 220383611 WIMFQZUMAPJXMD-CYBMUJFWSA-N 425.894 3.028 5 40 IGBB CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Br)cc2)C1 408563909 SCZCIGCCMPOEQW-SFHVURJKSA-N 434.246 3.190 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 408650693 MRHBMEJLTLYAHF-OCCSQVGLSA-N 446.843 3.424 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(Cl)c2)c1 408663752 NGTCMTHLUMQNBH-UHFFFAOYSA-N 449.847 3.466 5 40 IGBB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 8902623 LOSOBZBSRPYLTK-UHFFFAOYSA-N 444.513 3.345 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1ccc([N+](=O)[O-])cc1 9055808 LHDIRZGXNBXXLD-UHFFFAOYSA-N 445.387 3.191 5 40 IGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O 9589216 JAJMLDRLCAMDGC-GOSISDBHSA-N 437.239 3.307 5 40 IGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 12521805 QIDQVMINYGRIHT-UHFFFAOYSA-N 444.904 3.368 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40134232 OGSCGABYOYZYGU-JTQLQIEISA-N 427.795 3.495 5 40 IGBB C[C@@H](C(=O)Nc1cccc(Br)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400399 ONSYDBWCLPYFMD-NSHDSACASA-N 442.291 3.151 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 9806330 ZBCIQGTYGSVRSZ-LJQANCHMSA-N 431.514 3.103 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 12528132 OQTJWZGGJDDIED-JKSUJKDBSA-N 442.438 3.114 5 40 IGBB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505433 OAWFXFHXSOSZIR-QFIPXVFZSA-N 435.532 3.343 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 13598733 FSIMUIITLVUBGL-SRYPRDQNSA-N 449.500 3.033 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 15987398 IOOAFZCJSSRLCE-MTQWCTHYSA-N 446.463 3.089 5 40 IGBB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222780596 BRSNDEWCDAWDEE-JKSUJKDBSA-N 433.530 3.498 5 40 IGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686621 SFAVXCDROFFYSZ-HHXXYDBFSA-N 449.463 3.256 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCCO2 409207024 YXDIBOBWGHLBLA-RQZCQDPDSA-N 441.421 3.041 5 40 IGBB O=C(O)c1ccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409236552 RXEZNOYERKSDQV-UNOMPAQXSA-N 432.392 3.177 5 40 IGBB COc1cc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 8825602 VJHSDHFQJJZUKF-UHFFFAOYSA-N 444.227 3.418 5 40 IGBB CN([C@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 72307441 YOTXBSVUDPEQNC-LJQANCHMSA-N 435.502 3.039 5 40 IGBB COCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(NC(C)=O)ccc21 100873086 VEOCHFAYYAHSOD-REWNPNNESA-N 440.481 3.357 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 409260250 NICLPVCOCLOGIS-UHFFFAOYSA-N 437.543 3.497 5 40 IGBB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1cccc([N+](=O)[O-])c1 15391725 WWXTXTRMWKLIMR-UHFFFAOYSA-N 435.436 3.124 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411257 DLSVXLIMKNJFIX-APWZRJJASA-N 435.440 3.040 5 40 IGBB CSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1 40398892 RJGSZZHBWYAKRL-UHFFFAOYSA-N 436.884 3.183 5 40 IGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1C[C@H](N2CCCC2)[C@H](O)C1 72308548 NHDLJRIDYZMCNR-HBMCJLEFSA-N 444.919 3.069 5 40 IGBB Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 408559636 ALKILQDEAICESU-UHFFFAOYSA-N 435.502 3.163 5 40 IGBB COc1ccc(NC(=O)Cn2nnc3sc(-c4ccccc4)cc3c2=O)c([N+](=O)[O-])c1 6166744 IDRURECMGBEPAM-UHFFFAOYSA-N 437.437 3.076 5 40 IGBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 9356027 VXMGREOLKUJJMU-UHFFFAOYSA-N 426.454 3.029 5 40 IGBB COc1cc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 9381051 RTGYWVSHLTXKHG-UHFFFAOYSA-N 431.470 3.366 5 40 IGBB COc1ccccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16228375 WIHXDNZRCHDUEI-UHFFFAOYSA-N 434.905 3.094 5 40 IGBB C[C@H](C(=O)Nc1ccc(Br)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400615 UAUXBZQXABLGJH-LLVKDONJSA-N 442.291 3.151 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 9714625 AQJHBPCBXBIJCN-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 12557630 CTWQCAHLJHHCFX-UHFFFAOYSA-N 426.498 3.352 5 40 IGBB O=C(COc1coc(CN2CCc3ccccc3C2)cc1=O)Nc1ccc([N+](=O)[O-])cc1 15391727 CIRUEDXDNPPZSX-UHFFFAOYSA-N 435.436 3.124 5 40 IGBB COC(=O)c1ccc(C[N+]2(C[C@H](O)CO[C@H]3C[C@@H](C)CC(C)(C)C3)CCOCC2)cc1 15906195 JLNOGRALGSLJHB-OIBXWCBGSA-N 434.597 3.413 5 40 IGBB O=C(O)C1=CCc2c3c4c(c(C(=O)O)ccc4c4ccc(C(=O)O)c1c24)C(C(=O)O)=CC3 30836074 VNXUUUNAEDAQSH-UHFFFAOYSA-N 430.368 3.438 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408680786 GRCFGKIIDSZHDH-BGYRXZFFSA-N 447.447 3.095 5 40 IGBB Cc1ccc(-c2noc(CCCN3CCN(C(=O)Cc4ccccc4[N+](=O)[O-])CC3)n2)cc1 24823132 REMSVDBYORVKJB-UHFFFAOYSA-N 449.511 3.273 5 40 IGBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 100262465 USHHKKVHMVNYOS-UHFFFAOYSA-N 445.498 3.379 5 40 IGBB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409328729 AIUUQYBMMYUHID-UHFFFAOYSA-N 440.485 3.118 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c([N+](=O)[O-])c1 13424047 IFVKAPLFRYLUAZ-UHFFFAOYSA-N 444.429 3.038 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17102778 VPGNRLMZXNQQHA-UHFFFAOYSA-N 438.868 3.351 5 40 IGBB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C 21421533 DDRGYFANXWXISH-ZDUSSCGKSA-N 432.429 3.031 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 24759632 GMPGAIOMVIDLCN-UHFFFAOYSA-N 426.498 3.352 5 40 IGBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O 106746848 VLFIJXRFWURSTI-SDQBBNPISA-N 429.248 3.345 5 40 IGBB O=C(O)CCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl 2980988 MVFGPPNHDKXDKC-SFQUDFHCSA-N 431.832 3.000 5 40 IGBB NC(=O)NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1 8746580 GXENHTVDFGOLDF-UHFFFAOYSA-N 439.375 3.240 5 40 IGBB Cc1ccc(NC(=O)COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1C 9705571 LOYATFRRBSJTFK-UHFFFAOYSA-N 427.413 3.082 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187225 BMEWGTXBLJLNDG-GFCCVEGCSA-N 445.906 3.110 5 40 IGBB CC[C@@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 103459248 SYYZSHSUUWGNRU-UACIBIBWSA-N 445.475 3.461 5 40 IGBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 103628915 RGITWODYWSYJGF-ROMGYVFFSA-N 448.479 3.085 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 224819093 NDSYSFWEQHWSHU-UHFFFAOYSA-N 439.921 3.153 5 40 IGBB Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 408592937 KXLHXFNERMHSLZ-HXUWFJFHSA-N 439.493 3.432 5 40 IGBB O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 3849112 VDJYROQHBGVPDA-XJKSGUPXSA-N 434.191 3.029 5 40 IGBB biogenic CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(O)c(OC)c2[N+](=O)[O-])N3)C1 8920765 NWNJBZWPUTZAES-INIZCTEOSA-N 448.457 3.314 5 40 IGBB COc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)O 9233703 CMMCZUWOLYRHHN-CXUHLZMHSA-N 444.421 3.303 5 40 IGBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 16517474 CXISVQUPCLWKQZ-LJQANCHMSA-N 425.397 3.432 5 40 IGBB O=C(NC[C@H]1CCCO1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829821 JCBQHFRCMZQXRH-CYBMUJFWSA-N 446.382 3.033 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408682159 JBYZDOARCHERDW-VMRPVKRXSA-N 447.447 3.032 5 40 IGBB COc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 22230199 ULKRSNBBWUXYBY-SFHVURJKSA-N 433.486 3.012 5 40 IGBB O=C(COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1)Nc1cccc([N+](=O)[O-])c1 19935382 TUXHWOULCDWGJV-UHFFFAOYSA-N 439.877 3.050 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] 408673275 ZJMFFCFUELRDJZ-INIZCTEOSA-N 425.441 3.055 5 40 IGBB C[C@@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 8424584 QLBMSDRPDWYIAK-QLVMHMETSA-N 435.480 3.497 5 40 IGBB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 8735657 PZBNVZGBFNOKDU-XMSQKQJNSA-N 449.573 3.423 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 12561792 MRSVQTXFVZGBKG-ZDUSSCGKSA-N 432.427 3.033 5 40 IGBB CCNc1nc2c(s1)[C@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC(=O)N2 15110133 NZTXIYHIYWKGLX-AWEZNQCLSA-N 428.474 3.211 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3Cl)c([N+](=O)[O-])c2)CC1 15207740 WSSHFCUMGVCILW-UHFFFAOYSA-N 429.857 3.116 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@H]2C(=O)N1Cc1ccccc1 18180089 JRUIPQJNOSVULG-HKBOAZHASA-N 430.420 3.037 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 23753816 KXQKTXADQUWWTA-UHFFFAOYSA-N 429.420 3.120 5 40 IGBB O=C(Nc1nc2ccccc2s1)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 25570599 WJBXNTLPSJEIDI-CYBMUJFWSA-N 425.474 3.176 5 40 IGBB CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 408661076 CZJJWWITTGFLFJ-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB COc1cc(OC)c(C2=CCN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 32860417 FWMQKBAVFIGVSR-SFHVURJKSA-N 444.484 3.150 5 40 IGBB CNS(=O)(=O)c1ccc(N(Cc2cccnc2)Cc2ccccc2C)c([N+](=O)[O-])c1 95443176 CLAGKABFUATTQG-UHFFFAOYSA-N 426.498 3.413 5 40 IGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCCC2)cc1 2025835 AWGZARMCOZVZOI-UHFFFAOYSA-N 432.483 3.241 5 40 IGBB COc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3441999 GOYYNDFQAAYGCN-UHFFFAOYSA-N 427.240 3.426 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787626 UJRWQULSGFGTHB-UHFFFAOYSA-N 431.317 3.018 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868222 POEFPPJEUOXWHJ-UHFFFAOYSA-N 437.905 3.429 5 40 IGBB CC[C@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528842 MOBMKAJSTHUNGE-WOJBJXKFSA-N 431.514 3.333 5 40 IGBB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 3197004 VYPRAMHGIJMVNP-UHFFFAOYSA-N 430.372 3.413 5 40 IGBB CCOC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1 9907803 UMAPXLICDCIYQK-RMKNXTFCSA-N 425.441 3.260 5 40 IGBB O=[N+]([O-])c1ccc(N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2ncccc12 12528496 YGSAMJUKCRPPOS-UHFFFAOYSA-N 430.461 3.183 5 40 IGBB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 12754820 AYEZDXHZKJKLPR-KRWDZBQOSA-N 434.290 3.161 5 40 IGBB CCOc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1OC 12797189 VXNONHYTNZLXOA-FQEVSTJZSA-N 443.500 3.114 5 40 IGBB COc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(OC)c1OC 12986153 VJPLTAJBEDPBND-UHFFFAOYSA-N 445.457 3.153 5 40 IGBB CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 13598724 FSIMUIITLVUBGL-NVJIOZQYSA-N 449.500 3.033 5 40 IGBB O=C(O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 20153196 LSEXHFKOPUIFOQ-UHFFFAOYSA-N 428.470 3.410 5 40 IGBB COc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57466752 VBFPNNNUSHVOQL-INIZCTEOSA-N 435.484 3.301 5 40 IGBB Cc1c(N(CC(=O)NCc2cccc3ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] 222881442 KESIPBOFNKNVHZ-UHFFFAOYSA-N 427.482 3.139 5 40 IGBB COc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21 2218243 LFAOGNWRPNVLSP-HNNXBMFYSA-N 427.464 3.471 5 40 IGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 9561741 FDKHVVPONXOLMU-AWEZNQCLSA-N 441.440 3.355 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(Cl)cc1Cl 9715196 XFADPURJAVVLJI-UHFFFAOYSA-N 428.228 3.101 5 40 IGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(Cl)cc1 19171559 GOHDMJMWXUVVEM-KSZLIROESA-N 447.278 3.437 5 40 IGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930327 KGVIAHOHIGTQEX-UHFFFAOYSA-N 441.893 3.215 5 40 IGBB C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223390960 AHDMUCOOHBXSIA-LLVKDONJSA-N 427.866 3.050 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 13564590 YAOJLVKSVMJFBW-SRYPRDQNSA-N 449.500 3.033 5 40 IGBB O=C(CF)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 25808977 SOMSHZVNIDWWOJ-SECBINFHSA-N 438.095 3.317 5 40 IGBB Cc1c(OCC(=O)N[C@H](C(=O)O)c2ccc(O)cc2)ccc2c1oc(=O)c1ccccc12 30822681 OCSAZPWLSIPMCZ-NRFANRHFSA-N 433.416 3.281 5 40 IGBB COc1cc(C(=O)NCc2cc(C(N)=O)no2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 83923711 DMWVVGQAYAHFAU-UHFFFAOYSA-N 446.803 3.066 5 40 IGBB Cc1nc(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)c2c3c(sc2n1)CCC3 2725914 PUYXBBQKFSLBNV-UHFFFAOYSA-N 428.495 3.445 5 40 IGBB Cn1c(CCC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9327592 FXWKMCDMHRFQBF-UHFFFAOYSA-N 443.460 3.409 5 40 IGBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 12918130 ONUFOQFQAOCBAY-UHFFFAOYSA-N 425.819 3.250 5 40 IGBB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9327544 HRZLVHLBDMVARR-UHFFFAOYSA-N 429.433 3.019 5 40 IGBB C[C@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9703550 ZSSFZTDTZOOHSR-JHMRYYBSSA-N 435.546 3.131 5 40 IGBB CC(C)(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-] 12906768 GXGSKEGMNQWUEP-UHFFFAOYSA-N 425.485 3.295 5 40 IGBB CN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 13584777 UHDXCYYWRIEDFF-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(-c2ccc3c(c2)CCC3)nn1-c1ccccc1 40154873 HMFMSTCEJLRACG-UHFFFAOYSA-N 429.440 3.166 5 40 IGBB CCN(CC)C1=N[C@@](C(=O)OC)(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N21 12411599 BTSRRGSWKWPTFT-OAHLLOKOSA-N 431.396 3.006 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc3ccccc3s2)CC1 12977274 RVLPAUGCHUOBKO-UHFFFAOYSA-N 432.527 3.019 5 40 IGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 57317102 PXTNCDBFNNWUSR-UHFFFAOYSA-N 440.500 3.307 5 40 IGBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1 100204476 ZPMSFDKNUSZIOB-GGPCPXQKSA-N 437.839 3.423 5 40 IGBB Cc1c(N(CC(=O)Nc2ccccc2C(F)(F)F)S(C)(=O)=O)cccc1[N+](=O)[O-] 220027579 MATZNDZAPXYJGR-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB CC(=O)c1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222375718 NVFKQMZZVSOYOA-UHFFFAOYSA-N 433.486 3.291 5 40 IGBB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540406 YDZZNSLTVUDLTH-GOSISDBHSA-N 431.514 3.427 5 40 IGBB Cc1c(NC(=O)[C@@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)cccc1[N+](=O)[O-] 533274955 HYGSMURVICKSRG-GOSISDBHSA-N 428.537 3.216 5 40 IGBB COc1ccc(NC(=O)COC(=O)c2ccc(OC(F)F)c(OC)c2)c([N+](=O)[O-])c1 9662182 WHGXANVMKKNGIQ-UHFFFAOYSA-N 426.328 3.009 5 40 IGBB O=C(CN1CCC(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1)Nc1ccccc1 11586628 ZCEJHULJABWOBL-UHFFFAOYSA-N 437.500 3.002 5 40 IGBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 21595839 KBKGEDRVHGFYFJ-UHFFFAOYSA-N 432.864 3.039 5 40 IGBB CSc1ccc(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1[N+](=O)[O-] 25067145 MEHQVKLQWNADRG-CYBMUJFWSA-N 442.497 3.153 5 40 IGBB CC(=O)N1CCC[C@@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 29895786 RJRHOVKOSFUZDG-WIYYLYMNSA-N 439.468 3.385 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 32743525 GCGQQNDGUKLJPC-UHFFFAOYSA-N 446.529 3.233 5 40 IGBB Cc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57574228 JWDSJCPNDFBHNA-GOSISDBHSA-N 433.512 3.278 5 40 IGBB C[C@H]1CCC[C@@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 820398 QLBMSDRPDWYIAK-LUQKVYGDSA-N 435.480 3.497 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccccc1SC 3491670 OEWOXKYFYPDJED-ZDUSSCGKSA-N 432.502 3.223 5 40 IGBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 12791924 ZQKRGOCYIYHEGM-SFHVURJKSA-N 448.317 3.469 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 101161553 GZEQEFZTLJYHLO-BDTNDASRSA-N 445.431 3.347 5 40 IGBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731889 QLQKZVZSSADAFQ-FQEVSTJZSA-N 441.440 3.373 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408641752 MPRFTAOXIUVMJL-HNNXBMFYSA-N 441.440 3.160 5 40 IGBB Cc1ccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1 409246130 FJNOGTIWJVJBPE-VIZOYTHASA-N 432.230 3.464 5 40 IGBB C[C@]1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8885279 PZUUNJIPWTWTHC-GOSISDBHSA-N 437.239 3.307 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 9368667 PZVSVMOVJVJXDP-UHFFFAOYSA-N 446.529 3.437 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 59503320 JZZUZHSAIMFSJS-ZRDDSIGQSA-N 441.399 3.380 5 40 IGBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 205678488 NKISPQJAVKJKFX-OQLLNIDSSA-N 429.410 3.382 5 40 IGBB C[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 260924474 HYLUACICFCGVAD-GJZGRUSLSA-N 431.514 3.115 5 40 IGBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nc(C)n1 1770354 HJVUEIZYKKLWKN-UHFFFAOYSA-N 427.442 3.055 5 40 IGBB O=C(CCOc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2474918 HZJOTWRMNNLQHC-UHFFFAOYSA-N 433.467 3.292 5 40 IGBB O=C(COC(=O)C1CCC1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9315426 RBSGLYHKUPTXNT-UHFFFAOYSA-N 436.056 3.402 5 40 IGBB O=C(Cc1ccccc1)NCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10000718 PLPWSVOZWMRLQH-XMMPIXPASA-N 432.432 3.421 5 40 IGBB O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3416649 WXOKAMKGVCGPRE-UHFFFAOYSA-N 434.832 3.368 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)o1 9252394 LKMRLDCLZGNUCU-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1S(=O)(=O)N(C)C 9509699 KWRDHWOUIBJXDL-UHFFFAOYSA-N 446.529 3.396 5 40 IGBB C[C@@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 13955838 MCCIHEOBTSXNPK-GFCCVEGCSA-N 443.460 3.328 5 40 IGBB O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1cccc2nsnc12 19078298 CSCXOLISYCVSKB-UHFFFAOYSA-N 437.231 3.158 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687798 VDBCSNDTDMLGPK-WOJBJXKFSA-N 447.447 3.176 5 40 IGBB COc1cc(CC[C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)ccc1O 2107242 YDIOODKHMXDQNW-MSOLQXFVSA-O 430.521 3.196 5 40 IGBB biogenic Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1N(C)c1ncc(C(F)(F)F)cc1Cl 8671297 SHPZIEQHGYLJJQ-UHFFFAOYSA-N 442.785 3.276 5 40 IGBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 32371049 MHRSIWANDYDOGV-UHFFFAOYSA-N 441.875 3.185 5 40 IGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccccc1 33793947 UHDWHZLEHADOEE-VQHVLOKHSA-N 425.397 3.021 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(F)cc1 101176437 VPQIAZDVQOVKBN-MEFGMAGPSA-N 448.454 3.287 5 40 IGBB O=c1[nH]c2ccccc2n1CCC[N+]1([O-])CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1 212681524 HZXNVTGQTMNCFN-UHFFFAOYSA-N 441.919 3.366 5 40 IGBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 2986602 YHPDPVVGNKRPQT-SXGWCWSVSA-N 432.410 3.463 5 40 IGBB CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 8793359 GGWASFXXNBTPLP-UHFFFAOYSA-N 427.486 3.437 5 40 IGBB CC1CCN(c2ccc(N3CCN(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)CC3)nn2)CC1 10213347 PPFXPDNIUHSWPP-UHFFFAOYSA-N 444.923 3.237 5 40 IGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 24754092 UYMOZYCZVJZFQO-UHFFFAOYSA-N 426.425 3.252 5 40 IGBB COCCNC(=O)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 25048347 MYOGPDUKRJRJDR-UHFFFAOYSA-N 429.476 3.170 5 40 IGBB C[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220419175 RPUMWYQFWGFIHT-KBXCAEBGSA-N 447.513 3.168 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408663576 AIIWXYTUHGZCRJ-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(CCCO)nc2N1 11859443 HSGUDEFTHLADJA-FQEVSTJZSA-N 434.456 3.039 5 40 IGBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1S(=O)(=O)c1ccccc1 13585975 MEBLRNPTIPEOCR-UHFFFAOYSA-N 435.483 3.051 5 40 IGBB CCOC(=O)c1cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cc([N+](=O)[O-])c1 17364595 FMEJLDLFPYOCAV-UHFFFAOYSA-N 435.440 3.201 5 40 IGBB O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCOCC2)CC1 25154053 ANOSBIHBBUYPKM-UHFFFAOYSA-N 438.484 3.049 5 40 IGBB CN(C(=O)CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])c1ccccc1 40121236 OEWIOAVHCOJUCH-UHFFFAOYSA-N 425.363 3.319 5 40 IGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 409165845 APVSTOCBCXQBNZ-CXUHLZMHSA-N 431.401 3.418 5 40 IGBB CCN1C(=O)CC[C@H](c2nc(Cc3cc(OC)ccc3[N+](=O)[O-])no2)[C@H]1c1ccncc1 579645541 OAQAYSOGZXTUGB-LAUBAEHRSA-N 437.456 3.439 5 40 IGBB CNS(=O)(=O)c1ccc(Nc2ccc3nc(N4CCCC4)sc3c2)c([N+](=O)[O-])c1 14308807 XKIMUEMSXJGHIR-UHFFFAOYSA-N 433.515 3.456 5 40 IGBB COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 14784334 LZSRFIKAJMIKKJ-UHFFFAOYSA-N 426.248 3.198 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(I)cc1 21125776 REPSUFBHCAOTEX-UHFFFAOYSA-N 428.182 3.226 5 40 IGBB Cn1c(=O)nc2n(-c3ccc(N4CCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497873 QILHNYFEAWAYSV-UHFFFAOYSA-N 431.452 3.088 5 40 IGBB Cc1cccc(C)c1OCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 3448570 VQKDWMPLHACSHQ-UHFFFAOYSA-N 429.458 3.122 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)c(F)c1 12597115 NHHKRQMIQMSYGU-GFCCVEGCSA-N 427.429 3.067 5 40 IGBB COc1cc(CCNC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c([N+](=O)[O-])cc1OC 32788461 SUMFDOLEKNAWNO-OAQYLSRUSA-N 443.500 3.034 5 40 IGBB CCOC(=O)c1c(N)n(CCOC(=O)c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc12 2307302 VRIVHACICYAPMW-UHFFFAOYSA-N 449.423 3.109 5 40 IGBB CCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(Br)ccc21 8921841 RRELASJBRXAYLY-IBGZPJMESA-N 449.257 3.193 5 40 IGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)n1 9434430 MXOCOFJBJDPRGC-UHFFFAOYSA-N 444.429 3.454 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccc(F)cc2)CC1 9509801 ANSLPQIPJIVWJC-UHFFFAOYSA-N 448.520 3.235 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 12528133 OQTJWZGGJDDIED-HOTGVXAUSA-N 442.438 3.114 5 40 IGBB CCCn1c(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]c1=O 14234951 YUEDMAKQYKIVDK-JTQLQIEISA-N 434.503 3.132 5 40 IGBB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223418906 NRJATGMFGPOKMV-FQEVSTJZSA-N 445.541 3.390 5 40 IGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 409345655 MPDUZUNEOVNJJM-IDUWFGFVSA-N 441.421 3.307 5 40 IGBB CCOC(=O)COc1c(Cl)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1Cl 409349260 VFXMXMOPBNTJHU-ONEGZZNKSA-N 430.200 3.215 5 40 IGBB COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n1 1166571304 JBSWXJSLTYLICZ-UHFFFAOYSA-N 427.848 3.305 5 40 IGBB O=C(N/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)N1CCOCC1)c1ccccc1 13305820 OYZPRGAYENEAPQ-PGMHBOJBSA-N 447.447 3.485 5 40 IGBB COC(=O)c1ccc(C[N+]2(C[C@H](O)CO[C@@H]3C[C@@H](C)CC(C)(C)C3)CCOCC2)cc1 15906194 JLNOGRALGSLJHB-WTIAFYNJSA-N 434.597 3.413 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38859793 FTUYWSULNXHAEB-LJQANCHMSA-N 447.513 3.366 5 40 IGBB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 2792105 ZZLFEXLZQWPOTQ-LLVKDONJSA-N 426.458 3.397 5 40 IGBB CCCCN1C(=O)/C(=C/c2ccc(OC)c(Cn3nc(C)c([N+](=O)[O-])c3C)c2)NC1=S 2794132 JYSULGJDFIWCFI-BOPFTXTBSA-N 443.529 3.323 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)c(C)c1 3009685 SKTWAJPBPKYYNJ-UHFFFAOYSA-N 440.481 3.386 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 9846602 ALZCEBDACOHEDU-LJQANCHMSA-N 436.428 3.131 5 40 IGBB Cc1nn(CC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c(C)c1[N+](=O)[O-] 16014587 YOYBDYJKVVGZFP-UHFFFAOYSA-N 430.852 3.303 5 40 IGBB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22098353 ILMRLCQIZDKMAJ-OAHLLOKOSA-N 440.456 3.409 5 40 IGBB CC[C@@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534205 VZHODMUAPIBYNE-KRWDZBQOSA-N 439.921 3.418 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)c(O)c1)C2=O 3146428 OQJXKWWOEIKACT-UHFFFAOYSA-N 432.344 3.030 5 40 IGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCCC1 9063801 KFBLEUINZLLLAK-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1Br 9097128 NZKJEAFFGUXWDU-QHHAFSJGSA-N 449.213 3.281 5 40 IGBB Cc1ccc(CNC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)cc1 9829074 AXQBZKCQHIBOIH-UHFFFAOYSA-N 434.481 3.416 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 15549005 PSSKNYMWTBZWQZ-MRXNPFEDSA-N 448.545 3.257 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868966 ZPKHAQBVQPWPHP-NSHDSACASA-N 429.907 3.349 5 40 IGBB O=C(C[S@](=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 48333913 PQWNOFKUQWBOFN-SSEXGKCCSA-N 441.431 3.070 5 40 IGBB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1 59520279 JLCNNLKMPXQVLI-UHFFFAOYSA-N 448.545 3.247 5 40 IGBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 3187531 BCZGCGQQZYYRMY-UHFFFAOYSA-N 432.483 3.221 5 40 IGBB Cn1cnnc1Sc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] 9466129 SBYYAOHBESVLCS-UHFFFAOYSA-N 438.425 3.282 5 40 IGBB CCc1cccc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23080161 VDUZSUUVZXLUSK-UHFFFAOYSA-N 427.457 3.098 5 40 IGBB CCCCc1noc([C@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])n1 32761055 DAFJQIWGFUSCNS-ZDUSSCGKSA-N 426.495 3.491 5 40 IGBB CCOC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 57993295 JDUBZMRLKKGCGH-UHFFFAOYSA-N 442.877 3.011 5 40 IGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2cc(S(=O)(=O)N3CCCC3)ccc21 223088566 VWDFLHXGLFKECT-UHFFFAOYSA-N 435.889 3.236 5 40 IGBB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 408737805 OYZLZPGQYJEJKR-UHFFFAOYSA-N 432.432 3.269 5 40 IGBB COC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCCC2 8745100 SMXDDTVKQDFXGM-UHFFFAOYSA-N 447.469 3.090 5 40 IGBB COc1cc([C@@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 38261875 ZOFVZKSRUXTOEA-HNNXBMFYSA-N 429.820 3.012 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1C 103001044 FCTUENYQIHHOCC-HPNDGRJYSA-N 444.491 3.456 5 40 IGBB CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223378752 NYEUTFTXJVGSSD-BEFAXECRSA-N 449.529 3.334 5 40 IGBB COc1ccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9506979 KFKFQRPEMJHAEM-UHFFFAOYSA-N 427.335 3.216 5 40 IGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)NCc2ccco2)c1 9630462 VBGWUKCPNHVOAJ-ZHACJKMWSA-N 427.438 3.318 5 40 IGBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 16401480 MOKATFMUXDQEJM-UHFFFAOYSA-N 434.905 3.207 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 222370154 FDUSDXSSHMMPIB-OAHLLOKOSA-N 435.502 3.027 5 40 IGBB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 3385169 YJEYBFZOWPIQPA-SNVBAGLBSA-N 438.820 3.458 5 40 IGBB CCOC(=O)c1ccc(NN2C(=O)c3ccc(Br)cc3C2=O)c([N+](=O)[O-])c1 6599797 VRKIJSSNAWYUER-UHFFFAOYSA-N 434.202 3.157 5 40 IGBB COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 10324048 FFAGTEGWWNASSJ-LLVKDONJSA-N 427.866 3.050 5 40 IGBB COc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1OC 12571439 IAPISRDXLSHTLB-UHFFFAOYSA-N 439.218 3.170 5 40 IGBB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 19171566 QKJYOWDIFZIZCD-OTWHNJEPSA-N 426.860 3.092 5 40 IGBB CC(=O)N1CCC[C@H](C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 29895790 RJRHOVKOSFUZDG-GHTZIAJQSA-N 439.468 3.385 5 40 IGBB CCCCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O 40399088 GOARTAJLUYCFKA-UHFFFAOYSA-N 435.484 3.099 5 40 IGBB CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1[N+](=O)[O-] 101533996 PZIQMTLYSMCNCR-MHORFTMASA-N 445.388 3.205 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 222378160 ZMKCJCDAAAPVLV-HNNXBMFYSA-N 437.493 3.466 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)CC1=O 408652942 PGBUYHUXIQAXSK-ZBFHGGJFSA-N 426.425 3.079 5 40 IGBB COc1ccc(OC)c2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc12 9604162 INUUVQKVDQFPTQ-UHFFFAOYSA-N 430.486 3.430 5 40 IGBB CC[C@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F 72302497 XVTJPESLWJXOKV-KXBFYZLASA-N 443.472 3.484 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1[N+](=O)[O-] 102519651 DVPFLIMJWPWIAV-FZDBZEDMSA-N 445.388 3.205 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248250191 IOOAFZCJSSRLCE-ZRNYENFQSA-N 446.463 3.089 5 40 IGBB COc1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c([N+](=O)[O-])cc1OC 12930045 QWALRDDLKWTBEI-UHFFFAOYSA-N 444.469 3.311 5 40 IGBB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Br 20410763 ADHBPDXHXRPRON-UHFFFAOYSA-N 436.262 3.455 5 40 IGBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 2029756 RFTBPUSKXJQOCC-UHFFFAOYSA-N 433.471 3.062 5 40 IGBB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 15882780 XKFNUFUKFPCXPP-UHFFFAOYSA-N 426.454 3.012 5 40 IGBB COc1ccc(CN(C)C(=O)COC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1OC 3533747 FHBRLGKOZTXMNO-UHFFFAOYSA-N 434.470 3.149 5 40 IGBB CNc1ccc(S(=O)(=O)N(C)Cc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 9322895 BRJMANFYBIXSRK-UHFFFAOYSA-N 437.865 3.161 5 40 IGBB COc1ccc(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c2)nn1 9715012 JLFFXSPEBJOSHX-UHFFFAOYSA-N 445.413 3.078 5 40 IGBB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24562948 XYVYEJWZMVOVMX-LJQANCHMSA-N 443.467 3.228 5 40 IGBB COc1cccc(OC)c1OC1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 48288930 PAICFRLHWIYCHW-UHFFFAOYSA-N 429.429 3.021 5 40 IGBB COc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1OC 89464534 UWMVAVPEKIXIRW-UHFFFAOYSA-N 435.502 3.399 5 40 IGBB COc1ccccc1CCNC(=O)c1cc(I)cc([N+](=O)[O-])c1 95451621 MTKATZHMKKYXHF-UHFFFAOYSA-N 426.210 3.181 5 40 IGBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 9208756 RDZAVAKNPGVDPM-CYBMUJFWSA-N 438.406 3.468 5 40 IGBB C[C@@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13130889 SEJUIEKSALSTOW-AWEZNQCLSA-N 439.921 3.006 5 40 IGBB Cc1nc2ccccc2c2c(NC(=O)Cn3cnc4c(cnn4C)c3=O)c3ccccc3n12 21327165 WIRKGZZJPXZASE-UHFFFAOYSA-N 437.463 3.031 5 40 IGBB COc1cccc(COCC(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 48331928 UOWFNTARYZUYSN-UHFFFAOYSA-N 436.468 3.017 5 40 IGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)sc2c1CCCC2 9141033 IYHSBBAZXYFSLF-UHFFFAOYSA-N 447.469 3.090 5 40 IGBB COc1ccc(N(C)S(=O)(=O)c2cc3c(=O)nc4ccccn4c3cc2Cl)cc1 12414104 YIVCRPPUDVDOEH-UHFFFAOYSA-N 429.885 3.335 5 40 IGBB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12592048 CSTTYEZYKPEGCD-GOSISDBHSA-N 446.916 3.400 5 40 IGBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 101444974 IHGXQWDGNSOYBF-YSFYHYPLSA-N 445.475 3.463 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 222376144 QFSJZVSLVIFQDF-UHFFFAOYSA-N 427.429 3.366 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 408563229 JVZFFTUBWFUJCQ-KRWDZBQOSA-N 427.310 3.000 5 40 IGBB NC(=O)C1CCN(c2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(NCc3ccco3)n2)CC1 38488517 UPGHXNDFLJDBNT-CMDGGOBGSA-N 448.483 3.462 5 40 IGBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Oc1ccc(Br)c2cccnc12 95481782 WCDBXRZGGUCSND-UHFFFAOYSA-N 434.227 3.433 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408647533 JKQANYLMJMRLDO-CDHQVMDDSA-N 449.463 3.399 5 40 IGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1 4120500 DNFDUUYRZVCTCI-UHFFFAOYSA-N 426.473 3.304 5 40 IGBB CC(C)n1c(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2ccccc21 12640115 TYQFAXNQMWTJOY-UHFFFAOYSA-N 429.502 3.036 5 40 IGBB O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1CCCN1CCOCC1 23409214 NOPQAGBBKXSBQH-UHFFFAOYSA-N 440.525 3.319 5 40 IGBB C[C@@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1 32898822 LUOGZPIWIARORL-MRXNPFEDSA-N 426.521 3.421 5 40 IGBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(C3CCCC3)cc2n(C)c1=O 8994309 HVUBSNFXKULGPA-UHFFFAOYSA-N 447.289 3.492 5 40 IGBB COc1ccc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 40157685 NKQSYAQTRNSYMG-WMQCIHAUSA-N 428.441 3.122 5 40 IGBB CCOC(=O)[C@]1(C)C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc([N+](=O)[O-])c1 100080677 NDEOZGRJFCLALO-FQEVSTJZSA-N 426.385 3.167 5 40 IGBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@@H]3C2=O)cc1 101166823 IKDDKLDLWXZRND-HBMCJLEFSA-N 430.420 3.349 5 40 IGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101723804 OBMUTBBPPYUMQF-ZPLOVTKXSA-N 430.416 3.372 5 40 IGBB COc1ccccc1[C@H](C)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224166465 QTIZCDDBYMSGEK-HNNXBMFYSA-N 435.502 3.027 5 40 IGBB Cc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Br 224780470 KKZHQDWWLODCTJ-UHFFFAOYSA-N 443.275 3.254 5 40 IGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260810678 JJBWKGSRZXTHPX-CRAIPNDOSA-N 449.529 3.334 5 40 IGBB CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](C(C)C)C2=O)cc1[N+](=O)[O-] 8927536 HKAYHRPMGRETGB-HXUWFJFHSA-N 426.425 3.262 5 40 IGBB CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3 10065994 WLEIWWJYCDZMPL-UHFFFAOYSA-N 434.499 3.246 5 40 IGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3nc4ccccc4s3)CC2)c1C 12996422 VJYZPXHDCMUHKB-UHFFFAOYSA-N 446.554 3.328 5 40 IGBB O=C(/C=C/c1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16450833 RWJPMEMZOFSLPW-MDZDMXLPSA-N 430.917 3.485 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C1=O 103999956 VXWNHYQXRDWVHF-GOEBONIOSA-N 436.207 3.203 5 40 IGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O)c1ccccc1 408682833 JYPALRRLNOZVTN-UHFFFAOYSA-N 429.388 3.131 5 40 IGBB CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 6319846 XNVCEBIXXCVVGA-UHFFFAOYSA-N 425.485 3.299 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812260 KLHMIETYFJIRNO-ZDUSSCGKSA-N 429.907 3.492 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Br 12498111 BAYBELWXBVJSJI-UHFFFAOYSA-N 426.248 3.198 5 40 IGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 14215181 KEYRNHLWSWWTPE-UHFFFAOYSA-N 427.774 3.031 5 40 IGBB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223281117 HJMVKELVDYCUJI-NHCUHLMSSA-N 436.541 3.315 5 40 IGBB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224888582 JNFSDNSJRQRWJA-NSHDSACASA-N 447.391 3.287 5 40 IGBB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8902625 MJSIQVRYEOOHBH-UHFFFAOYSA-N 444.513 3.345 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)C[C@H](C)C(=O)OC)c([N+](=O)[O-])c1 107366218 KXXNYCTVJBNIJF-HNNXBMFYSA-N 435.502 3.055 5 40 IGBB Cc1c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] 223233749 SYWYAJFEIIYERR-HNNXBMFYSA-N 431.514 3.035 5 40 IGBB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(CCn2cc([N+](=O)[O-])cn2)o1 2803788 QFGLKNVNWZLLPP-MRVPVSSYSA-N 446.212 3.231 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22374835 FJPKJCKWCJTREE-QGZVFWFLSA-N 447.513 3.088 5 40 IGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 35362089 LGVUGMKPWIVNQN-UXBLZVDNSA-N 437.408 3.480 5 40 IGBB CC[C@@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101477218 SYYZSHSUUWGNRU-PAXKHVFLSA-N 445.475 3.461 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1 13957127 PSZRTPWDDAWUOH-UHFFFAOYSA-N 447.860 3.400 5 40 IGBB CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 17094822 UKLDQDMAKAYYQA-UHFFFAOYSA-N 426.473 3.061 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](CC(C)C)c1ccccc1)S(C)(=O)=O 38755158 BGJZYUTWLPAMPE-SFHVURJKSA-N 449.529 3.273 5 40 IGBB O=[N+]([O-])c1ccc2nc(N3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)ccc2c1 40153602 YXPYKMDSLGDYGV-UHFFFAOYSA-N 430.461 3.229 5 40 IGBB O=c1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)nc2sccn12 59949841 QSOYHUYOVKZMEA-UHFFFAOYSA-N 439.419 3.005 5 40 IGBB CC[C@@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222527300 FTKDWWPKPUTDTL-FQEVSTJZSA-N 433.530 3.197 5 40 IGBB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 408588230 CZXBBYRXDZICDX-GFCCVEGCSA-N 441.893 3.261 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 9668593 GBPDYHBSLZNMMF-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)n2nnnc2N1 12604344 ZTWQIXMVRQSCEP-QGZVFWFLSA-N 426.820 3.267 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269934 YJSSZJIBAUXTCW-UHFFFAOYSA-N 445.457 3.239 5 40 IGBB Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C 22097543 QMOLTNOLKRYBDJ-CVEARBPZSA-N 425.441 3.135 5 40 IGBB O=C(NCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1 24544493 QUZVWMGDYGTMLK-UHFFFAOYSA-N 432.480 3.217 5 40 IGBB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 89326641 KTZRIVYFRBLKRE-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB O=C(CN1C(=O)N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 409215274 WRHICJCHZDFQJH-XDHOZWIPSA-N 449.398 3.056 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23382218 PTPWDUHSXCPFEJ-IFXJQAMLSA-N 435.440 3.040 5 40 IGBB CC(C)c1ccccc1OCCNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223801668 WNURYBWXWTWJNK-INIZCTEOSA-N 449.529 3.068 5 40 IGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 9597193 SWQXIIVHAJZJRE-INIZCTEOSA-N 431.792 3.423 5 40 IGBB O=C(CSc1nnc(Nc2ccccc2F)s1)NC(=O)c1cccc([N+](=O)[O-])c1 12565407 VSVUYKMAXWFFTG-UHFFFAOYSA-N 433.446 3.378 5 40 IGBB CC[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(C)cc1 12606009 WXKATYFDXDWDQK-LJQANCHMSA-N 432.546 3.403 5 40 IGBB COc1ccc(CCNC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cc1OC 2809746 PJKCIKUITZHSOG-UHFFFAOYSA-N 444.875 3.483 5 40 IGBB O=C1C[C@@]2(CON=C2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 9304858 NEYQMIFWTGXDQM-SFHVURJKSA-N 430.214 3.042 5 40 IGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCCCC1=O 15940445 ANWFZZYFGCSACU-HOCLYGCPSA-N 428.894 3.155 5 40 IGBB O=C1C[C@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccccc1 18121879 HDFBWUPOURTZNP-SFHVURJKSA-N 448.401 3.068 5 40 IGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154364 HGMGSMIICDDLRV-QHHAFSJGSA-N 431.836 3.218 5 40 IGBB Cc1cc(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Br 225083685 SKPXFRYMANAYNB-UHFFFAOYSA-N 443.275 3.254 5 40 IGBB CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 225872682 PULUSFWMWLRVMC-UHFFFAOYSA-N 429.473 3.400 5 40 IGBB COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@H](C(=O)OC)CC2 1744126 VTHYDVMQCWLZEO-YSKGHYERSA-N 430.438 3.298 5 40 IGBB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187986 KQPFZRRZMPBKBW-UHFFFAOYSA-N 436.424 3.024 5 40 IGBB CCOC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n([C@H](C)COC)c2C)cc([N+](=O)[O-])c1 10855736 RCWITPYGXLHPLE-CQSZACIVSA-N 446.456 3.437 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccc([N+](=O)[O-])cc1 18967254 JGWCFZZNQKVVTR-QHCPKHFHSA-N 437.452 3.273 5 40 IGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20528527 HLQMDROIOHMORQ-RUDMXATFSA-N 448.401 3.458 5 40 IGBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 35808627 MCWBHPUGSASSAT-SNYIIPAISA-N 428.448 3.366 5 40 IGBB CC(C)(C)OC(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 58014548 ZZIRVDDBIKSRIN-ZDUSSCGKSA-N 433.914 3.316 5 40 IGBB CC(C)c1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 218306821 LVKKZCGBCBCVJB-UHFFFAOYSA-N 433.530 3.233 5 40 IGBB C[C@@H]1CCC[C@@H](NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 245232199 QLBMSDRPDWYIAK-CEQIKUNHSA-N 435.480 3.497 5 40 IGBB Cc1cc([N+](=O)[O-])cc(C)c1C(=O)OC[C@@H](CO)OC(=O)c1c(C)cc([N+](=O)[O-])cc1C 2187150 QTMCXOFGQCMENM-QGZVFWFLSA-N 446.412 3.111 5 40 IGBB CCCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O 9581138 KCDHUFGJZNDAAC-XXBNENTESA-N 436.468 3.193 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 20107424 JBFYQAKLWXIAKM-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 32934444 ZOMWAGKUCMFJIR-FQEVSTJZSA-N 443.891 3.087 5 40 IGBB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113893990 UBGVQFWROFVQLL-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10128374 IBRKYWDEBGSICP-OAQYLSRUSA-N 439.493 3.432 5 40 IGBB O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 34798970 HWPNTZODVKEHJM-UHFFFAOYSA-N 440.433 3.435 5 40 IGBB COc1ccc(C(=O)NC[C@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 72311521 XEYDOCHTGUOCIF-CYBMUJFWSA-N 428.363 3.083 5 40 IGBB COc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220175440 RYMUSZKZABHDDI-NSHDSACASA-N 427.866 3.050 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220651189 JKQLSXAITLPYMX-QGZVFWFLSA-N 441.893 3.440 5 40 IGBB Cc1c(N(CC(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224970853 OGSOQPCHJWZNLV-UHFFFAOYSA-N 446.529 3.298 5 40 IGBB CCOC(=O)c1cnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc1N 408544091 RUMPZNWZFXDHEQ-UHFFFAOYSA-N 446.272 3.181 5 40 IGBB C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 84714550 ZBCCQWRJRFLURP-GUYCJALGSA-N 440.466 3.429 5 40 IGBB CC(C)CCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 89821161 KICVTPLSXYJBBV-UHFFFAOYSA-N 439.465 3.076 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225854040 JJBWKGSRZXTHPX-MAUKXSAKSA-N 449.529 3.334 5 40 IGBB CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2c(c(=O)c3ccccc3n2C)c1=O 2438289 CHRKBUZXWDDVIR-UHFFFAOYSA-N 435.480 3.351 5 40 IGBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 8831726 VROXSOKBEQHCPP-UHFFFAOYSA-N 447.948 3.435 5 40 IGBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(S(=O)(=O)c2cccs2)CC1 9284140 PDSYKFOSJWHDFT-UHFFFAOYSA-N 447.494 3.063 5 40 IGBB CCN(CC)C(=O)CN1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 12528069 VQVSKCUTAMTHDN-UHFFFAOYSA-N 438.528 3.206 5 40 IGBB Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 19629579 WGGPMPPILNVDHT-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB CCCCn1c(COc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 21976481 PFDHPEGLPODXFW-UHFFFAOYSA-N 449.467 3.222 5 40 IGBB C[C@@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220415944 TZKKIGQJSYSCJC-AWEZNQCLSA-N 439.921 3.152 5 40 IGBB COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 224617354 GVAUHDARCKDODB-UHFFFAOYSA-N 441.893 3.078 5 40 IGBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225512504 HEDJBXYFOCIOQJ-QGZVFWFLSA-N 443.500 3.233 5 40 IGBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc21 408532324 MIVRHIFJHHIGNP-JXMROGBWSA-N 425.401 3.311 5 40 IGBB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 408988606 IMTIDWFPNBHFBJ-QGZVFWFLSA-N 426.429 3.381 5 40 IGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1csc(-c2ccccc2)n1 9284653 DFUJJPBHLUXTHF-UHFFFAOYSA-N 437.433 3.448 5 40 IGBB COc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10219291 JOJLDYISUMFILE-UHFFFAOYSA-N 433.467 3.139 5 40 IGBB O=C(O[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 13015788 LJZFUWPUXHMQRC-HXUWFJFHSA-N 426.450 3.471 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 19868598 NDEZZCVKTXRVPG-UHFFFAOYSA-N 435.477 3.223 5 40 IGBB CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 102699919 FSIMUIITLVUBGL-QTDGGUCWSA-N 449.500 3.033 5 40 IGBB Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[nH]c2cc(=O)n1CCc1c[nH]c2ccccc12 12390584 MXIADIHGKFMNHV-UHFFFAOYSA-N 429.436 3.421 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 12556439 LXRZRDPJZBGCNL-AWEZNQCLSA-N 430.892 3.408 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12795992 QBGLECJBSWDVJA-UHFFFAOYSA-N 445.497 3.025 5 40 IGBB Cc1ccc(C(C)C)c(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])c1 12902801 CCTPCKMPJWSUJS-UHFFFAOYSA-N 442.515 3.045 5 40 IGBB COc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 32127359 FTTFOAWTFUDUED-UHFFFAOYSA-N 426.473 3.160 5 40 IGBB Cc1nc2n(c(=O)c1CC[N+]1([O-])CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O 44136595 SOGHBNZGNKDZHD-KAOQCPTQSA-N 442.491 3.094 5 40 IGBB in-vitro CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 48326286 ZXNIDVCDTIZJFR-BBWFWOEESA-N 425.551 3.267 5 40 IGBB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412160 GEAXWHJABTZEDA-LLVKDONJSA-N 431.392 3.407 5 40 IGBB CCOc1ccc(S(=O)(=O)N(CC(=O)OC)c2cc([N+](=O)[O-])ccc2Cl)cc1 224608979 NPCJYONBBCJOLV-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408677321 BQIFAIIKAXAXCT-YSGRDPCXSA-N 449.463 3.256 5 40 IGBB CC(C)(C)NC(=O)CNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 9691330 CNMWHNZGYMWZSG-UHFFFAOYSA-N 432.864 3.145 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[S@](=O)C3)cc1 11726335 UUTBCSKSSVEJMX-SSEXGKCCSA-N 446.872 3.457 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O 14413569 GQAHIALPUMBKJI-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Br)cc1 408659097 VNQNIMYRXHGZMG-ZDUSSCGKSA-N 447.241 3.136 5 40 IGBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 15277458 IXMDFLZMCWGCKI-IBGZPJMESA-N 433.380 3.415 5 40 IGBB CSc1ccc(CN(C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 17972333 LLAXVTUXLAWBHJ-UHFFFAOYSA-N 442.541 3.257 5 40 IGBB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 225007887 BFQZOPGFRFEJSM-KRWDZBQOSA-N 441.893 3.440 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408664005 YMSHDTDFYHISFZ-PMACEKPBSA-N 447.447 3.095 5 40 IGBB O=C(c1cnn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1cc(Cl)ccc1O 14197580 HVIRKBTXLVLZCA-UHFFFAOYSA-N 442.236 3.272 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1I 96190099 PUYKPDZRIRTPDT-UHFFFAOYSA-N 445.213 3.465 5 40 IGBB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548197 JQTKADNQAWYVBJ-QGZVFWFLSA-N 447.513 3.127 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1C 2787494 GQCIVSDKGNHSAU-UHFFFAOYSA-N 436.394 3.237 5 40 IGBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1c1ccccc1 9433927 BUMYVVCJEIASFD-CVDCTZTESA-N 436.468 3.192 5 40 IGBB Cc1ccc(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])c1 15545992 LHGSCIVKOFWFJR-NRFANRHFSA-N 438.484 3.122 5 40 IGBB Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 16043775 AQAHUBISWOYZFD-UHFFFAOYSA-N 435.477 3.390 5 40 IGBB COc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)c1 17227402 QVEMICAMPKQFOS-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB O=C(NC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc([N+](=O)[O-])c1 58162255 GYCUIZQYRGTHBW-QGZVFWFLSA-N 428.405 3.225 5 40 IGBB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 60088652 PHCICBHXDXBFRM-UHFFFAOYSA-N 428.426 3.052 5 40 IGBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 113889239 WPRHUPNKRMOYEY-UHFFFAOYSA-N 449.666 3.291 5 40 IGBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222988496 OTRZPYGHGISMHT-KRWDZBQOSA-N 443.500 3.316 5 40 IGBB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)c(C)c1 2753388 DHNZBELWFJHZRG-UHFFFAOYSA-N 443.485 3.307 5 40 IGBB CC(C)(C)c1ccc(Cn2nnnc2Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 68563088 NVRQJSVDRDNUHH-UHFFFAOYSA-N 442.392 3.487 5 40 IGBB biogenic CCC(=O)NCc1cc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)ccc1OC 84718685 SPYZAZBUJOOBPN-UHFFFAOYSA-N 428.850 3.051 5 40 IGBB COc1ccc(NC(=O)CSc2n[nH]c(-c3cccc(NC(C)=O)c3)n2)c([N+](=O)[O-])c1 408637453 KRMFRGKXBMROBF-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C 408672821 XFMANMFLRAWDOD-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 409074311 SZPSJHSMOFGXIG-AWNIVKPZSA-N 436.193 3.295 5 40 IGBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1CCC 9266796 ICQQHMIHKDXIRX-PGRDOPGGSA-N 430.505 3.399 5 40 IGBB COC(=O)[C@@H]1CC2(CC2)CN1C(=O)c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 2362804336 ISZFGMJHGIVKKT-SFHVURJKSA-N 440.452 3.350 5 40 IGBB CCN(c1ccc(I)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225001574 HXLQAMGKRFBHSG-UHFFFAOYSA-N 432.239 3.415 5 40 IGBB COc1ccc(CCC2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 40023350 PWHLEFVWSHVIOY-UHFFFAOYSA-N 439.468 3.383 5 40 IGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCc1cn2ccsc2n1 58305340 VOCOLGLRVNZECX-HNNXBMFYSA-N 435.893 3.028 5 40 IGBB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540349 YDZZNSLTVUDLTH-SFHVURJKSA-N 431.514 3.427 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc2c(c1)OCO2 409367778 GFDVCQPUIJLBRA-NFJKTXFASA-N 440.411 3.200 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1cccs1)N1CCOCC1 12523290 YHSGNZAGHMJDIA-QFIPXVFZSA-N 447.560 3.406 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 15391645 WYMSOMAWPHNFAV-UHFFFAOYSA-N 444.923 3.381 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543469 AVDSDRUZJZQDPB-YOEHRIQHSA-N 435.502 3.025 5 40 IGBB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 408548536 IJFXIBZVZGNJSS-UUILKARUSA-N 440.195 3.227 5 40 IGBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408652440 ONRYBPJSAXVKLG-GDBMZVCRSA-N 426.425 3.079 5 40 IGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2c1cccc2[N+](=O)[O-] 513839085 DAQYLUZNFLQKIO-HNNXBMFYSA-N 447.488 3.114 5 40 IGBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 21868381 GVSQXIFXLLJVBZ-OAQYLSRUSA-N 432.436 3.143 5 40 IGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cn3ccccc3n2)cc1 29006011 VOQMBARFCZAEMQ-OAQYLSRUSA-N 432.436 3.285 5 40 IGBB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 225025822 XTPCVWVXCZKRBD-INIZCTEOSA-N 447.557 3.499 5 40 IGBB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 16692595 JEUNMEUJMCEEHK-UHFFFAOYSA-N 441.893 3.215 5 40 IGBB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 19640804 PENAKMVDHQCUBQ-UHFFFAOYSA-N 444.513 3.387 5 40 IGBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 19643563 UDNPRHCFMJFVIE-UHFFFAOYSA-N 445.526 3.253 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 22561020 IIVHEGKYRWJOHH-UHFFFAOYSA-N 432.230 3.291 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC[C@@H]2CN(C)c2ccccc2)c([N+](=O)[O-])c1 58157288 KAKQGUIAUHZEBL-GOSISDBHSA-N 432.546 3.387 5 40 IGBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)Cc1ccccc1Cl 225119797 HOCAHSWXDPAHJJ-UHFFFAOYSA-N 432.285 3.302 5 40 IGBB Cc1cc2nc3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n3c2cc1C 408721163 LSOPWNKBGSORLT-UUASQNMZSA-N 446.282 3.450 5 40 IGBB CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139919 MDFXIAAFEUNZRD-WOSRLPQWSA-N 429.376 3.102 5 40 IGBB O=C1C[C@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N2N=CNC2=N1 38191783 SPQVOMFIFAFGDN-OAHLLOKOSA-N 444.245 3.112 5 40 IGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1 840689 XNXXQIRQGOQBNN-UHFFFAOYSA-N 425.466 3.107 5 40 IGBB CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] 2643836 VZPCKVKNTPAUPC-UHFFFAOYSA-N 437.817 3.059 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C 6194261 QTKCALAOWFWWKW-UHFFFAOYSA-N 437.485 3.161 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 9907981 QFKPZTJKTSLTFI-UHFFFAOYSA-N 446.891 3.429 5 40 IGBB COC(=O)[C@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCCCC2)=N1 12417433 OFGQHDCQIUIJQA-MRXNPFEDSA-N 443.407 3.150 5 40 IGBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 13553118 UZYQQRHVDXDQNW-FMKPAKJESA-N 439.474 3.140 5 40 IGBB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] 408647110 SEAGKPQXRZFGBX-UHFFFAOYSA-N 443.456 3.457 5 40 IGBB COCCn1c(-c2cccc(Br)c2)nc2c(c(=O)c3ccccc3n2C)c1=O 2324220 BQGBEUQRMZVZEW-UHFFFAOYSA-N 440.297 3.324 5 40 IGBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 3269167 FDQJVDJHVICZKS-UHFFFAOYSA-N 446.462 3.497 5 40 IGBB CC(C)OC(=O)c1cc(NC(=O)c2n[nH]c([N+](=O)[O-])c2Cl)cc(C(=O)OC(C)C)c1 8441845 IDCONDYJJLEGPT-UHFFFAOYSA-N 438.824 3.354 5 40 IGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1C1CCCCC1 9240797 MYVMCYHPBXIZEG-WMZHIEFXSA-N 440.500 3.297 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 13779008 JRUIPQJNOSVULG-ACRUOGEOSA-N 430.420 3.037 5 40 IGBB O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14245174 KKFJBVWRCKRPIR-OAHLLOKOSA-N 426.410 3.191 5 40 IGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(I)cc1 14270318 FMJKOGQLRCHFCF-UHFFFAOYSA-N 443.222 3.032 5 40 IGBB COc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24900949 GEEYSOOIGAJDEX-HNNXBMFYSA-N 427.457 3.390 5 40 IGBB O=C(CN1C(=O)c2ccccc2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176492 PDHLMHPSTBCGOD-JOCHJYFZSA-N 444.399 3.358 5 40 IGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 409346396 LMLGEQIKXNNPSK-IDUWFGFVSA-N 441.421 3.307 5 40 IGBB Cc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NC4CCCCC4)cc3c(=O)n2c1 19234379 GRYLWIJORZIPNU-KRWDZBQOSA-N 435.528 3.205 5 40 IGBB CCOC(=O)[C@@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 8997719 QNGXPLCYBQZZJC-KRWDZBQOSA-N 430.800 3.389 5 40 IGBB Nc1nc(SCc2cccc([N+](=O)[O-])c2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 9518211 XRYOPPLOAHVUSD-UHFFFAOYSA-N 433.396 3.083 5 40 IGBB CCOC(=O)c1ccc(NC(=O)Cn2c(=O)c3ccccc3c3ccccc3c2=O)cc1 10233281 DOLVJWFPZXCAMK-UHFFFAOYSA-N 428.444 3.330 5 40 IGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 22907627 YDCIONDKHZMYOQ-FQEVSTJZSA-N 434.452 3.042 5 40 IGBB COCCN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 409203736 XRUZBGDVPQQEKI-WJDWOHSUSA-N 431.426 3.473 5 40 IGBB Cc1cccc(CCNC(=O)CCCc2nnc3n4nc(C)nc4c4ccccc4n23)c1 9860224 SBRYYUHVXZSJRS-UHFFFAOYSA-N 427.512 3.224 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1-c1cc(C)ccc1OC 3491313 GCXYMZVAWTYQSC-LBPRGKRZSA-N 444.473 3.015 5 40 IGBB C[C@@](O)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 72304243 LFFPTSHUCSTGJT-LJQANCHMSA-N 441.406 3.447 5 40 IGBB Cc1c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] 260943071 SYWYAJFEIIYERR-OAHLLOKOSA-N 431.514 3.035 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689260 YAAYSXJIBJLMEE-WZBLMQSHSA-N 435.411 3.098 5 40 IGBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1OC 9441386 IMDJPUARBHELMC-UHFFFAOYSA-N 449.529 3.423 5 40 IGBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] 10765951 ZSBPCQYBVGDXDU-UHFFFAOYSA-N 443.934 3.414 5 40 IGBB COC(=O)[C@@]1(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N2C(N2CCCCC2)=N1 12417431 OFGQHDCQIUIJQA-INIZCTEOSA-N 443.407 3.150 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1cccs1 408653466 PWFSJZQRNUVKKR-IYBDPMFKSA-N 441.465 3.072 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 13607166 XTYQJDDJSCXYNN-QATBIIFWSA-N 428.448 3.366 5 40 IGBB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220407209 UGALDXSYLAFQJP-LLVKDONJSA-N 431.392 3.407 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 260934978 NUPVCKAURURHRM-MRXNPFEDSA-N 449.529 3.172 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc(F)c(Cl)c1 9963934 XYOQLJCQRAQUIJ-UHFFFAOYSA-N 437.811 3.019 5 40 IGBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 12921309 BWTQLZOPNWTOLH-UHFFFAOYSA-N 437.408 3.261 5 40 IGBB COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)c1 1807631 XIVHRLVXRBNAFU-UHFFFAOYSA-N 441.440 3.407 5 40 IGBB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6788231 VMBHRBOCEIAHSH-UHFFFAOYSA-N 430.549 3.350 5 40 IGBB O=C(NCc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1 13987643 SXJIZFWKKXFQDD-UHFFFAOYSA-N 434.408 3.363 5 40 IGBB COc1cccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn2C)c1 29965456 NJXDQJIDIQPUMA-KRWDZBQOSA-N 436.877 3.058 5 40 IGBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5C)c(=O)c4cc3c2=O)n1 40398935 WYQDEOXIAMRFIJ-UHFFFAOYSA-N 430.493 3.228 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 8927325 FQYCKGRZLCKHGW-ZDUSSCGKSA-N 447.241 3.136 5 40 IGBB CCCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 14412991 LVZXNTZZDJAZQA-UHFFFAOYSA-N 449.529 3.414 5 40 IGBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 408570257 TYNUFPGXQINGAQ-UHFFFAOYSA-N 432.864 3.039 5 40 IGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1cccc([N+](=O)[O-])c1 408659122 VPXPEIYVFITSMZ-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB Cc1csc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)n1 9240870 WJFFIHZRINRETR-UHFFFAOYSA-N 427.471 3.195 5 40 IGBB C[C@@H](C(=O)Nc1nc(-c2cccc(F)c2)cs1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 25322171 KZGLBKAYCXKRMF-JTQLQIEISA-N 440.412 3.481 5 40 IGBB COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1OC 408528455 FCUZKOPQBPCHLQ-UHFFFAOYSA-N 426.341 3.196 5 40 IGBB COc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408577227 YTSXMZOZTLFUAX-LYEUKMHKSA-N 432.274 3.026 5 40 IGBB Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1[N+](=O)[O-] 409137316 XAELLFFEABXUSV-UHFFFAOYSA-N 428.430 3.338 5 40 IGBB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 9356130 JSWBWTJODHLOKG-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 12818193 GTCIUTZLCYZILU-SFHVURJKSA-N 427.457 3.014 5 40 IGBB O=C1N=C(O)[C@@H]2[C@H]1[C@@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 20358432 GUDLRFKUINIPKG-MHORFTMASA-N 438.827 3.326 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3Cl)CC2)c([N+](=O)[O-])c1 408573727 NRYFOLSPYNPNKC-UHFFFAOYSA-N 447.875 3.153 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689253 YAAYSXJIBJLMEE-AFHBHXEDSA-N 435.411 3.098 5 40 IGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 409094928 AKJHMXLZNPYEES-LICLKQGHSA-N 443.437 3.374 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 13027996 CPMVLTXSOJBYFH-VIFPVBQESA-N 448.526 3.015 5 40 IGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)c1 16754408 CQZDQWVIAIYQAW-YBEGLDIGSA-N 440.437 3.060 5 40 IGBB CCC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504722 HVSZWKFMVWDHGG-OAQYLSRUSA-N 439.495 3.432 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260503954 AOAOEFAPJYTSRD-KDOFPFPSSA-N 437.493 3.464 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408683182 KRPRUTYGAATPCA-FPDPHYFHSA-N 447.447 3.032 5 40 IGBB Cc1c(NC(=O)COC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] 9493691 WLNXOHNVUBWQNE-UHFFFAOYSA-N 443.500 3.108 5 40 IGBB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 14269258 ZXGVTLTUQYXSFP-UHFFFAOYSA-N 442.526 3.299 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19868031 YDYJWSLUTKXGEN-UHFFFAOYSA-N 437.905 3.429 5 40 IGBB CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 32640708 FJHDNHFMBNRDHE-MOPGFXCFSA-N 445.522 3.072 5 40 IGBB O=C(CN1CCCCCC1)Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 69814456 DQABIVYISUFUQC-UHFFFAOYSA-N 432.502 3.210 5 40 IGBB O=C(NCc1ccc(Cn2cccn2)cc1)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1 8724439 TWXWTAGGBOUPHD-UHFFFAOYSA-N 435.469 3.039 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCC1 9584555 CFIQGVVCPALXJK-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504723 HVSZWKFMVWDHGG-NRFANRHFSA-N 439.495 3.432 5 40 IGBB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nn12 19629582 NGXHDZWRXUFYGQ-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 33631395 KFWBXQPYKMWGPN-KRXBUXKQSA-N 443.799 3.435 5 40 IGBB COc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 8989735 GPNYCXPDHUAUSS-NSHDSACASA-N 434.246 3.358 5 40 IGBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 33776616 MKRSRFKDXQNKFK-LJQANCHMSA-N 432.473 3.361 5 40 IGBB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 40154572 KJUFYNHNTAXGDQ-UHFFFAOYSA-N 429.452 3.349 5 40 IGBB O=C1NCCN(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl 96010176 FGMXKJBOQNIGBM-OAHLLOKOSA-N 438.665 3.324 5 40 IGBB O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 100354919 VDJYROQHBGVPDA-CJNGLKHVSA-N 434.191 3.029 5 40 IGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225005581 BUUVPAKNBOZMQR-SJORKVTESA-N 443.500 3.314 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225536592 VZRDWOLBLCMIGV-GFCCVEGCSA-N 441.868 3.427 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3cccc(C)c3C)CC2)c([N+](=O)[O-])c1 408571490 COXZQVXWAQIGDA-UHFFFAOYSA-N 441.484 3.116 5 40 IGBB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13075975 CAOQVDNNTUJXKN-FOSCPWQOSA-N 428.363 3.491 5 40 IGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCCC1 13581629 CCUWMPZQTVGXLC-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NCCCN2CCOCC2)c(C)c1 33012200 XFRCMYOSPFYCEI-UHFFFAOYSA-N 448.545 3.147 5 40 IGBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 33363877 RIAKVBFDHGQCRH-CXUHLZMHSA-N 432.410 3.463 5 40 IGBB COc1cc(C(=O)OCc2cc(=O)oc3cc(NC(C)=O)ccc23)c([N+](=O)[O-])cc1OC 3437468 DTTUDQAJPXNINT-UHFFFAOYSA-N 442.380 3.034 5 40 IGBB CNS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 8747032 RMYFLIZTXRUNBE-UHFFFAOYSA-N 432.527 3.497 5 40 IGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1C1CCCCC1 9240794 MYVMCYHPBXIZEG-XXBNENTESA-N 440.500 3.297 5 40 IGBB COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 9428214 YLKCOEFHBPYNQJ-UHFFFAOYSA-N 431.832 3.079 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 35808502 SVKPQABTYLBYBG-NYQDVAGCSA-N 428.448 3.366 5 40 IGBB C[C@H](CN1CCCC1=O)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 40157739 RICQCDHPOFPVET-CYBMUJFWSA-N 444.875 3.241 5 40 IGBB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536268 SZRXMKMTXKSMTK-HNNXBMFYSA-N 431.580 3.096 5 40 IGBB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772678 GGGZIHYMIGEDFL-UHFFFAOYSA-N 432.376 3.290 5 40 IGBB Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(Cl)cc21 886024644 WBKKVVFCZUISBZ-QWHCGFSZSA-N 426.860 3.161 5 40 IGBB Cc1nn(Cc2ccccc2C(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1[N+](=O)[O-] 2794765 XVUASWFVSLVAIX-UHFFFAOYSA-N 427.486 3.486 5 40 IGBB O=C(Nc1nnc(C2CC2)s1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12741951 ZYJDERNCPKKVRQ-UHFFFAOYSA-N 445.482 3.377 5 40 IGBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cl 224970628 IHEUCIITDURASN-UHFFFAOYSA-N 435.241 3.190 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1 3213120 GETLPMSWDMZKSS-UHFFFAOYSA-N 429.907 3.349 5 40 IGBB CCN(CC)C(=O)c1c2nc3c(C(=O)N(CC)CC)ccc(C)c3oc-2c(C)c(=O)c1N 5662794 NAYXTGWSJYBNPY-UHFFFAOYSA-N 438.528 3.456 5 40 IGBB CNc1ccc(C(=O)OCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)cc1[N+](=O)[O-] 22087347 YBIULWVMHVFDCY-UHFFFAOYSA-N 433.486 3.400 5 40 IGBB CCCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101098883 HVAKRZXYPOCFJG-QLYXXIJNSA-N 448.479 3.269 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccncc3)c3nnnn3C3CCCC3)CC2)cc1 13561815 QSOKONMDWMOWCF-OAQYLSRUSA-N 434.504 3.003 5 40 IGBB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 17096904 KYZWSFICGBNNJI-UHFFFAOYSA-N 430.486 3.426 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)N1CCCCC1 106756112 HIFKSIQVKCWWGG-AQTBWJFISA-N 440.481 3.434 5 40 IGBB CC[C@H](C(=O)NCCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540868 ZMSSVIHYAMSORQ-LJQANCHMSA-N 433.530 3.197 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260912672 BKZRTXDHBDRWOX-HZPDHXFCSA-N 445.541 3.424 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(C(C)(C)C)ccc2O1 38859789 FTUYWSULNXHAEB-IBGZPJMESA-N 447.513 3.366 5 40 IGBB O=C(C[S@@](=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 48333912 PQWNOFKUQWBOFN-PMERELPUSA-N 441.431 3.070 5 40 IGBB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547181 BVJXTNRBPSEGCP-KRWDZBQOSA-N 439.534 3.155 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(CC)cc3)CC2)c([N+](=O)[O-])c1 408572587 KRIAUBNHFVYJRH-UHFFFAOYSA-N 441.484 3.062 5 40 IGBB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 408640626 BAZRDQANWMMBKP-YJBOKZPZSA-N 426.425 3.161 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O 20063177 CTTCSYUYPBHYLC-UHFFFAOYSA-N 439.449 3.418 5 40 IGBB COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218274242 VKHLUKFXDSWQCP-NSHDSACASA-N 427.866 3.050 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408660626 WPXUOCRRRDSUKQ-XPGWFJOJSA-N 447.447 3.175 5 40 IGBB CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409231674 FIAAOALRKAHDSX-BJMVGYQFSA-N 434.211 3.351 5 40 IGBB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)c1 1360256 FWSDNTPJECFDDI-OAHLLOKOSA-N 444.469 3.222 5 40 IGBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)nnc1C(F)(F)F 9365156 WAFHXVZOCYLBOL-UHFFFAOYSA-N 440.201 3.235 5 40 IGBB COc1cc(NC(=O)COC(=O)COc2cccc(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 9510018 UOYUKMPJXVXJTD-UHFFFAOYSA-N 442.346 3.491 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3Cl)cc2[N+](=O)[O-])CC1 12563798 GPCXGPAGRBBIDV-AWEZNQCLSA-N 430.892 3.408 5 40 IGBB Cc1ccc(-n2ncc3c(=O)nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c32)cc1 14227027 VNAYVUCBNCYZDF-UHFFFAOYSA-N 436.453 3.056 5 40 IGBB CCOC(=O)C1=C(C)NC(=N)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 107972005 WYKOAZUDVXVOSG-HXUWFJFHSA-N 440.456 3.188 5 40 IGBB CCOC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113886028 QELFUESCPZOFEJ-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 2683788 LRBFHLHUNHPJNM-FQEVSTJZSA-N 425.441 3.325 5 40 IGBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)NCCCn1nc(C(F)(F)F)cc1C1CC1 2778975 UKAGBZPBUFMVHL-UHFFFAOYSA-N 434.806 3.134 5 40 IGBB O=[N+]([O-])c1cccnc1N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 14328895 BZTJPFOFTPPWOK-UHFFFAOYSA-N 434.378 3.381 5 40 IGBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cccc1C(=O)O 20153343 MOBHURKOUYCODL-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 58907969 HXQXBJMNWVUBLY-WMLDXEAASA-N 430.461 3.031 5 40 IGBB CCCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100826740 GVDPJFNXXNDWPN-UHFFFAOYSA-N 436.537 3.460 5 40 IGBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC 225770493 JZOAPYNKTUOLPP-UHFFFAOYSA-N 428.441 3.467 5 40 IGBB COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1813901 PGVWLOYUTXKJGC-GOSISDBHSA-N 428.505 3.317 5 40 IGBB biogenic COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154313 GXFJSLRGFXOYRG-UHFFFAOYSA-N 449.305 3.336 5 40 IGBB CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 40398891 UCCZDXGLNNDEDE-UHFFFAOYSA-N 436.884 3.183 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Br)cc1 89793293 WXWVQQBVIRQADG-UHFFFAOYSA-N 443.275 3.171 5 40 IGBB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224218818 GWYKIGXYIMKVSM-IBGZPJMESA-N 443.500 3.234 5 40 IGBB COc1cccc(CNC(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 9960498 MXXMXYPTJPLBEC-UHFFFAOYSA-N 441.484 3.313 5 40 IGBB COc1ccccc1N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 79064733 HNTRMVYDMZPXIV-UHFFFAOYSA-N 438.253 3.467 5 40 IGBB CC(C)C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 95444977 KQJOGSKBZXSKIB-KRWDZBQOSA-N 428.445 3.420 5 40 IGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc2ccccc2c1 225060095 MIXDERWIPSZSQL-UHFFFAOYSA-N 430.438 3.125 5 40 IGBB CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Br)cc2)C1 408563907 SCZCIGCCMPOEQW-GOSISDBHSA-N 434.246 3.190 5 40 IGBB Cc1cc(C(=O)N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)ccc1[N+](=O)[O-] 2749119 GVLWLSTXVOVOJW-UHFFFAOYSA-N 426.429 3.108 5 40 IGBB COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC 20152651 QLTITJWLWFLUJS-UHFFFAOYSA-N 433.420 3.126 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 95441117 ORYKPICNNXAJIF-VQIMIIECSA-N 437.493 3.077 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O 222570149 GOPJUTCPPNSNAW-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB COc1cccc(NC(=O)CN(C)C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 9120771 LSZQLJMEWCIYIW-UHFFFAOYSA-N 440.378 3.131 5 40 IGBB C[C@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 13758740 IMLIBDXSSRQGJJ-IYBDPMFKSA-N 426.521 3.040 5 40 IGBB Cc1ccc2c(c1)[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)CC(C)(C)O2 22348222 KLYDEJOVWMSVDY-SFHVURJKSA-N 447.513 3.088 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1 25427417 ZSEHWMDAPMXKFW-UHFFFAOYSA-N 448.906 3.046 5 40 IGBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1 36383723 CWDAOASFGJUFDO-OAQYLSRUSA-N 432.546 3.340 5 40 IGBB COc1ccccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C1=O 100943216 DLMALLWDACOCFI-IRLDBZIGSA-N 442.431 3.386 5 40 IGBB CCCn1nnnc1CN1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 40120742 YSIQSBAEGZZUGZ-UHFFFAOYSA-N 427.534 3.038 5 40 IGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CCCC4)c(=O)c3cc2c1=O 40399094 CILZFNTZNLHDNY-UHFFFAOYSA-N 433.468 3.024 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103560800 IOOAFZCJSSRLCE-VNTMZGSJSA-N 446.463 3.089 5 40 IGBB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223280869 AJQMNYHLTCJHPT-NHCUHLMSSA-N 436.541 3.315 5 40 IGBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223426337 ZBJZDMUWJUQDNM-QGZVFWFLSA-N 427.501 3.480 5 40 IGBB O=C(NCCc1ccc(F)cc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9365972 HIKQCELRJRKWSY-UHFFFAOYSA-N 444.440 3.474 5 40 IGBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(-c3cccs3)nn2)c1 9853652 ZEHCGYTZYQQBFF-UHFFFAOYSA-N 440.890 3.124 5 40 IGBB Cc1c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cccc1[N+](=O)[O-] 2202333 NEZZDEIIZAAYDN-UHFFFAOYSA-N 448.438 3.353 5 40 IGBB COc1ccc(CCN(C)C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 3419479 DGJRIAUMCBUFGX-UHFFFAOYSA-N 436.848 3.123 5 40 IGBB O=C(Nc1nnc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1 222875767 BKIMRORJYVYPJD-UHFFFAOYSA-N 439.862 3.153 5 40 IGBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 12564746 QWVAVQOIIJOFKD-GFCCVEGCSA-N 428.704 3.008 5 40 IGBB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cc1[N+](=O)[O-] 12887725 GSAFGUXVDPXLIT-UHFFFAOYSA-N 443.525 3.431 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411253 DLSVXLIMKNJFIX-LPHOPBHVSA-N 435.440 3.040 5 40 IGBB COCCOc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1OC 24956289 PGJPICZJVCABDQ-UHFFFAOYSA-N 430.866 3.391 5 40 IGBB Cc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C2CC2)cc1 25500001 WTQSUIYQMFMOKH-NRFANRHFSA-N 431.514 3.487 5 40 IGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)cc(Cl)c1 8826471 MGADBRZWPXDDHB-SNVBAGLBSA-N 442.255 3.490 5 40 IGBB Cc1cnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)s1 9662096 CLHLTXOIRLQVMF-UHFFFAOYSA-N 444.922 3.053 5 40 IGBB COc1ccccc1CNC(=O)COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 9716120 WXNARGWOOCRIPG-UHFFFAOYSA-N 441.484 3.457 5 40 IGBB CS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)c1 12823251 IISFSVPYEMQSSE-UHFFFAOYSA-N 439.492 3.495 5 40 IGBB COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccc([N+](=O)[O-])cc1 34887609 QXNOXFSOEJDNIA-XBXARRHUSA-N 440.368 3.050 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102530178 DZEQQNBGZQZUPH-ZPLOVTKXSA-N 429.432 3.405 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 837560 GHTMHJPGWGYTIB-CYBMUJFWSA-N 447.241 3.136 5 40 IGBB Cc1c(NC(=O)CCCN(c2ccc(F)c(F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 222679409 LJZOHHPAWAWHDN-UHFFFAOYSA-N 427.429 3.366 5 40 IGBB O=C(NCCc1nnc2ccc(SCc3cccc([N+](=O)[O-])c3)nn12)c1ccccc1 9578413 GHEFJWQEZUDUDL-UHFFFAOYSA-N 434.481 3.297 5 40 IGBB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 19641436 BABXCOXDYFQMLB-UHFFFAOYSA-N 444.557 3.005 5 40 IGBB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545822 DUIIIFQLYMKQMW-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225364458 CXKVFUFAPRDYIS-HXUWFJFHSA-N 427.501 3.480 5 40 IGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cccc1[N+](=O)[O-] 408601813 BTYVPNKFRXVPKG-UHFFFAOYSA-N 447.513 3.341 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408687211 TWVCWZIBZPCVAY-MJGOQNOKSA-N 447.447 3.176 5 40 IGBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1[N+](=O)[O-] 2181646 BNXJGPIXFDFCEU-UHFFFAOYSA-N 431.426 3.038 5 40 IGBB Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2nc(O)n(-c3ccccc3)c(=O)c21 9659606 PNCZAZJQDAQMLX-UHFFFAOYSA-N 439.815 3.244 5 40 IGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 13883103 QIBSXJMHCIZXDQ-UHFFFAOYSA-N 441.469 3.363 5 40 IGBB C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]34)cc2NC1=O 23129908 PUVFPCQBSMPODY-ROOHIHILSA-N 436.468 3.484 5 40 IGBB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1 100433784 JRTIFWIDEILTKD-RTBURBONSA-N 429.521 3.161 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408681664 ICZRJYAXWIKSQJ-HZVDNRATSA-N 437.427 3.322 5 40 IGBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10128371 IBRKYWDEBGSICP-NRFANRHFSA-N 439.493 3.432 5 40 IGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCCCC1=O 15940439 ANWFZZYFGCSACU-GDBMZVCRSA-N 428.894 3.155 5 40 IGBB CC[C@@H](C(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1)C(C)C 104176418 BJBWPCDPXOZHOF-FLYMDIHJSA-N 430.565 3.296 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105876735 MSCDMBSSWNTZRX-NDUPCHFUSA-N 449.573 3.245 5 40 IGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(C)(C)C)C2=O)o1 107757812 KDGYOGYNPLYYJG-UVTDQMKNSA-N 443.412 3.245 5 40 IGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1Oc1ccc([N+](=O)[O-])cn1 409330706 LEJXIVXJRXBROV-QPJJXVBHSA-N 441.356 3.461 5 40 IGBB O=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccc([N+](=O)[O-])cc1 3099976 UCXZFKULIHBEOE-UHFFFAOYSA-N 448.347 3.236 5 40 IGBB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 8933981 HKKYXTGLTFITGO-UHFFFAOYSA-N 435.527 3.356 5 40 IGBB Cc1cc(C)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 17095911 IYLLYZHBLWXSRA-UHFFFAOYSA-N 428.514 3.483 5 40 IGBB O=C(NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 89773082 DGEZALCCBGQHCG-UHFFFAOYSA-N 443.319 3.379 5 40 IGBB COc1cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(C)=O)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 247898286 DPMUTYNODWNDAB-CLAROIROSA-N 447.447 3.016 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1 8927322 FQYCKGRZLCKHGW-CYBMUJFWSA-N 447.241 3.136 5 40 IGBB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 9980931 SQCNWFXWHNXYCF-UHFFFAOYSA-N 428.397 3.279 5 40 IGBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21129668 FQOQHJRKENRZNZ-NEPJUHHUSA-N 449.822 3.311 5 40 IGBB O=C(NCCCn1cccn1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 30171174 MBYYJQIZBYNKPJ-UHFFFAOYSA-N 425.411 3.233 5 40 IGBB C[C@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 32882734 JXQFKOZOVHXGHH-KBPBESRZSA-N 446.470 3.420 5 40 IGBB O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9510218 NWBUZNOMACEBQV-HNNXBMFYSA-N 435.845 3.233 5 40 IGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 9667886 AJTFOWDRCCGCEW-UHFFFAOYSA-N 433.486 3.095 5 40 IGBB CCN(c1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1)C(C)C 12606851 GCURCKHGPJULRK-UHFFFAOYSA-N 434.518 3.284 5 40 IGBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1 2258105 POKCOEHBFIRZHG-QGZVFWFLSA-N 427.464 3.471 5 40 IGBB COc1ccccc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 8398249 GKBBFLPRYVWIJG-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB Cn1c(=O)c2c(SCc3cccc([N+](=O)[O-])c3)nc(C3CCCCC3)nc2n(C)c1=O 9517477 WUQGYRXASYIRPE-UHFFFAOYSA-N 441.513 3.275 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2 12795127 QYJCNUJJHFORIB-UHFFFAOYSA-N 445.497 3.025 5 40 IGBB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)c1 13083838 AWJSXFWLGCPDPC-HNNXBMFYSA-N 444.469 3.222 5 40 IGBB Cc1cnn([C@H]2CCCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 95451738 XMBQDRGTGKUKQJ-AWEZNQCLSA-N 440.241 3.182 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 102690721 GOHDMJMWXUVVEM-FGTMMUONSA-N 447.278 3.437 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 408641630 CVZGUUOEZMMUMD-WOJBJXKFSA-N 449.463 3.319 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408683184 KRPRUTYGAATPCA-FQELHTAISA-N 447.447 3.032 5 40 IGBB COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5722363 DQILQAFCZDCXKQ-URXFXBBRSA-N 448.431 3.418 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 9136575 RVUMNMMWTZOIRW-MDWZMJQESA-N 433.486 3.286 5 40 IGBB C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 9507584 MBJDYXFEKBQZSG-GFCCVEGCSA-N 436.453 3.136 5 40 IGBB CN(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] 89326654 KZLCSGJKBYZSTG-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB O=C(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 100241692 UWQWAPGUQNXHOL-VXGBXAGGSA-N 437.283 3.121 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1 408663215 MGSMGOUPWAWURO-UHFFFAOYSA-N 429.429 3.121 5 40 IGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O 409236282 DDAKPSVVCADTPK-LZYBPNLTSA-N 431.401 3.418 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1cccc(Cl)c1 12565263 GZJRTGVFFFEYKS-CYBMUJFWSA-N 425.894 3.442 5 40 IGBB CCOc1cc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 14270405 DUZFMCPVEMOZGD-UHFFFAOYSA-N 448.501 3.422 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 39964163 PDYPXHGQEQTRFN-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccc(Cl)cc1)N1CCCN21 100829582 GOHDMJMWXUVVEM-SQNIBIBYSA-N 447.278 3.437 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222668460 HTKWINXBNWWZHT-MRXNPFEDSA-N 443.500 3.314 5 40 IGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 409175126 QGUOVQJMEATPHA-CXUHLZMHSA-N 431.401 3.418 5 40 IGBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 409182049 HUFJQZXKMGADKO-UHFFFAOYSA-N 425.418 3.467 5 40 IGBB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 3596257 XBVSNRIBRYQPCW-HXUWFJFHSA-N 430.848 3.434 5 40 IGBB O=C1CC[C@H](COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)N1 12554324 SOPMWPRMHFPZLL-LJQANCHMSA-N 437.496 3.489 5 40 IGBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727625 XNZVMLWRHKTYTQ-TZMCWYRMSA-N 440.387 3.441 5 40 IGBB O=C(NCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1)c1ccc([N+](=O)[O-])cc1 24179667 UYUCFRFWBGXWGD-UHFFFAOYSA-N 446.507 3.212 5 40 IGBB COc1ccc(C(=O)Oc2cc(C)ccc2[N+](=O)[O-])cc1S(=O)(=O)NC1CCCC1 24597406 HKBMDVQPPGUVIZ-UHFFFAOYSA-N 434.470 3.352 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)n1 2370274 RGZYNMSKNULXHR-UHFFFAOYSA-N 427.442 3.055 5 40 IGBB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 9644850 POSCVKWBVDBPES-UHFFFAOYSA-N 446.510 3.461 5 40 IGBB COc1cc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(C)=O)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 15996939 DPMUTYNODWNDAB-CIAFKFPVSA-N 447.447 3.016 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 24236406 JSWGFYVAZXDBJE-FQEVSTJZSA-N 434.456 3.102 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223190529 DIBJNDCCEPYXBW-HNNXBMFYSA-N 431.514 3.035 5 40 IGBB CC[C@@H](C(=O)N[C@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260507537 MOBMKAJSTHUNGE-PMACEKPBSA-N 431.514 3.333 5 40 IGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@H]1COc2ccccc2O1 9119417 MOEGWNUQLMSJQT-AAEUAGOBSA-N 425.363 3.370 5 40 IGBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])CC2=O)cc1 9631139 GKTBCUIYLJTCLC-QGZVFWFLSA-N 439.468 3.309 5 40 IGBB COc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 27366671 AQWLMDWFOQKRSE-UHFFFAOYSA-N 439.390 3.350 5 40 IGBB CC[C@@H](CO)n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3305221 WTRVKXYTQSNGDI-HNNXBMFYSA-N 443.481 3.407 5 40 IGBB CN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162498 MDFXIAAFEUNZRD-XEZPLFJOSA-N 429.376 3.102 5 40 IGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] 9363702 HYQDKGJBCWFZIU-UHFFFAOYSA-N 434.411 3.045 5 40 IGBB CCCOC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 9934576 YJMBNMLTQBDOCG-UHFFFAOYSA-N 443.456 3.016 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 22529657 RXICRFUWJQFMPY-IZZDOVSWSA-N 431.470 3.040 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 39964162 PDYPXHGQEQTRFN-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB Cc1ccc(-c2nn3c(CCC(=O)O)nc4ccc(Br)cc4c3nc2=O)cc1 71924140 UVGDJJQRWMIUDN-UHFFFAOYSA-N 439.269 3.393 5 40 IGBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N=C(S)N(C3CC3)C2=O)[C@H]1c1ccccc1 105804051 UONGBQDGZLDGOL-XMSQKQJNSA-N 436.493 3.132 5 40 IGBB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)cc1 225077151 DMQAUEKCLILYPH-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ncccc1[N+](=O)[O-] 409320520 QGNBVVIONQBYNJ-GQCTYLIASA-N 427.329 3.071 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)n1 2732736 HTXKCKOGMIYRSF-UHFFFAOYSA-N 448.483 3.026 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 10060092 WERXXQCILSXQBI-LJQANCHMSA-N 436.428 3.131 5 40 IGBB COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c([N+](=O)[O-])c1 23401080 KNGSNQMRQAUUAX-UHFFFAOYSA-N 448.501 3.100 5 40 IGBB O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524730301 DUBVQSFBSVICFU-DZGCQCFKSA-N 426.860 3.011 5 40 IGBB biogenic COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C 9974159 KZUZROHPZNYHOT-INIZCTEOSA-N 447.513 3.260 5 40 IGBB CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H](Nc2ccccn2)n2nnc3ccccc32)CC1 59488697 XFAKCGDCPMYTFC-HSZRJFAPSA-N 444.499 3.145 5 40 IGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225383928 KVOAQLCQGSGAKR-IAGOWNOFSA-N 427.501 3.478 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408682155 JBYZDOARCHERDW-MFMILTCTSA-N 447.447 3.032 5 40 IGBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139915 VBOPKTYHIIMLBP-WOSRLPQWSA-N 429.376 3.102 5 40 IGBB CC(C)[C@H](NC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 12764540 MDWDVSYXGYPJOI-FQEVSTJZSA-N 447.875 3.263 5 40 IGBB CCCn1c(=O)c2c(C(=O)OCC)cc(-c3cccc([N+](=O)[O-])c3)nc2n(CCC)c1=O 13114326 PAWLCYFJFGHLPG-UHFFFAOYSA-N 440.456 3.130 5 40 IGBB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257413 AHBIAKVBJNRQTQ-UHFFFAOYSA-N 426.429 3.389 5 40 IGBB O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 28776521 WOPKZBBXKCMVNF-UHFFFAOYSA-N 425.466 3.368 5 40 IGBB CC(C)(C)OC(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl 58014549 ZZIRVDDBIKSRIN-CYBMUJFWSA-N 433.914 3.316 5 40 IGBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O 9130779 HRDMZMVSFJTYTR-AUSIDOKSSA-N 436.468 3.021 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)nc12 3186009 LZPMZCVTGPUSBI-UHFFFAOYSA-N 426.410 3.119 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 8449441 LMPLCZLZKDYKHQ-GQSCTRQFSA-N 448.431 3.170 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1 12403148 LBKLWDAGXTUTST-UHFFFAOYSA-N 438.352 3.419 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 12514751 NKXFEQFJUUVFOL-QWHCGFSZSA-N 437.440 3.149 5 40 IGBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 20968849 UNZJWTBCHYQEQP-UHFFFAOYSA-N 426.473 3.166 5 40 IGBB CN(C(=O)CNC(C)(C)COc1ncccc1Br)c1ccc([N+](=O)[O-])cc1 95456049 QBVQUKRIYLJVPC-UHFFFAOYSA-N 437.294 3.162 5 40 IGBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225391439 DNXFQCWYIHYXMS-HXUWFJFHSA-N 427.501 3.480 5 40 IGBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc(C)c1C 845114 AGMMBDKQINDIBF-UHFFFAOYSA-N 445.295 3.356 5 40 IGBB CC(C)N(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4933867 KCBIIQDIIQRJMX-UHFFFAOYSA-N 445.428 3.227 5 40 IGBB CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 9496052 BRABPUOPWSCJOP-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] 408644580 GVUHVZCFPYCEAZ-UHFFFAOYSA-N 429.429 3.066 5 40 IGBB Cc1ccc(S(=O)(=O)c2ccc(NNS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 9124775 IXGHNFSXESECOV-UHFFFAOYSA-N 447.494 3.041 5 40 IGBB CCNc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1[N+](=O)[O-] 10530783 RGNNTAZSJJYPCG-UHFFFAOYSA-N 447.245 3.154 5 40 IGBB Cc1c(NC(=O)CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] 12857756 CSWNPZGKZYATPA-UHFFFAOYSA-N 437.422 3.468 5 40 IGBB CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 33773421 MWGHXSNGAOJDSH-VBQJREDUSA-N 443.403 3.493 5 40 IGBB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 72295979 NQVZPVZZKFXDBW-NRFANRHFSA-N 436.449 3.325 5 40 IGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc(Cl)cc1Cl 8826468 FOVBARYGHGOEMX-JTQLQIEISA-N 442.255 3.490 5 40 IGBB O=C(CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 29848148 HMVKJVGLRFHJHX-UHFFFAOYSA-N 448.405 3.022 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222988086 JBLRCQBIRCCMKJ-CQSZACIVSA-N 448.317 3.453 5 40 IGBB Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)s1 224362306 NZKHOMXRYYPCOU-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2)CC1=O 408644886 TYRWZNQWIIJDEQ-NSHDSACASA-N 434.246 3.358 5 40 IGBB Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 9707392 CANDOUJXFGEDKO-UHFFFAOYSA-N 436.449 3.403 5 40 IGBB CC(=O)N1CCC[C@@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 29895793 RJRHOVKOSFUZDG-NQIIRXRSSA-N 439.468 3.385 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O 220387272 NRBLTLOMNQXPOP-HNNXBMFYSA-N 443.591 3.240 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCC1 408693526 YOUJWCCMEWJOLF-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 9699577 QKXAOLDQXBHLSS-LLVKDONJSA-N 427.866 3.050 5 40 IGBB COCCNc1ccc(C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1[N+](=O)[O-] 18111437 MVVCUMILTCASRW-UHFFFAOYSA-N 438.937 3.326 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 101169176 RRLRTYLZAZPELC-PRHHBONVSA-N 449.500 3.318 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O 220389002 YBHNEEZGVUQZNU-CYBMUJFWSA-N 425.894 3.028 5 40 IGBB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224752242 YKXHKGNDSMAHSN-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB CC[C@H](C)N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 9423114 SYYZSHSUUWGNRU-LOKHBOFASA-N 445.475 3.461 5 40 IGBB COc1cc(C(=O)O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 408632912 DKLCNVYPXNVABN-UHFFFAOYSA-N 429.166 3.485 5 40 IGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12553950 VWIGUHQRKQRSDX-AWEZNQCLSA-N 438.937 3.357 5 40 IGBB Cn1c2ccccc2c(=O)c2c(=O)n(CCc3ccccc3)c(CN3CCCCC3)nc21 55393757 RKYBRUXGHYZJJC-UHFFFAOYSA-N 428.536 3.477 5 40 IGBB CCc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222545974 BJCGCXWJFWCEDU-QGZVFWFLSA-N 435.502 3.349 5 40 IGBB C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222924875 AWXYSNJDPNCKMD-OAHLLOKOSA-N 431.514 3.117 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 260513053 ZMKCJCDAAAPVLV-OAHLLOKOSA-N 437.493 3.466 5 40 IGBB Cc1[nH]c2ccccc2c1C(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9128593 CHVWHPWXJIKDJK-UHFFFAOYSA-N 443.481 3.431 5 40 IGBB C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9745460 FVBPBUVRGAINIA-SNVBAGLBSA-N 425.417 3.203 5 40 IGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 14685817 CMCWYNPLKGEPRY-UHFFFAOYSA-N 444.296 3.048 5 40 IGBB O=c1c2ccccc2ncn1CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58165806 JEKBNDGTPDFQHL-UHFFFAOYSA-N 433.390 3.103 5 40 IGBB COc1cc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc(OC)c1 100863260 RMPGZGWQIXKLNC-SUXCYGLUSA-N 427.461 3.138 5 40 IGBB O=C(/C=C/c1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 107980425 BIBHVDVNZADTBV-RMKNXTFCSA-N 430.917 3.485 5 40 IGBB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc21 408535733 ZXGYHQKMDUPBTI-DHZHZOJOSA-N 435.484 3.427 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23382224 PTPWDUHSXCPFEJ-AUUYWEPGSA-N 435.440 3.040 5 40 IGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 57317103 OITPMSMTBGFPPK-UHFFFAOYSA-N 440.500 3.307 5 40 IGBB O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1Br 58160255 UNGSGILGSVILEO-UHFFFAOYSA-N 437.269 3.257 5 40 IGBB CCCC[C@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224831210 RKEOOCYYTPRTOA-INIZCTEOSA-N 443.566 3.482 5 40 IGBB O=C(O)c1cccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)c1 409196889 ZWCPDWUDIJODSX-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB COC(=O)c1cc(C(=O)Nc2ccccc2I)cc([N+](=O)[O-])c1 1097980 PDFFKJSCIJFANH-UHFFFAOYSA-N 426.166 3.238 5 40 IGBB COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5722364 DQILQAFCZDCXKQ-QPPBQGQZSA-N 448.431 3.418 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1C 32640681 VMSJNLKRPWHFNB-RBUKOAKNSA-N 431.539 3.487 5 40 IGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 36733026 HROSVHPDONSNNU-UHFFFAOYSA-N 438.362 3.413 5 40 IGBB CCOc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57477877 SLDVTSQVGVDDNZ-UHFFFAOYSA-N 435.484 3.302 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)N1CCCC1 205908169 DKOGSPLFZHTQJL-LDADJPATSA-N 440.481 3.103 5 40 IGBB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408637900 ASDLZWOBANAXGZ-HNNXBMFYSA-N 441.440 3.162 5 40 IGBB CCOC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc(C(C)=O)c1C 409112676 FSHVKRRFFGWPQK-UHFFFAOYSA-N 426.472 3.453 5 40 IGBB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 23409399 DXRBOXLCQXGKON-NRFANRHFSA-N 428.464 3.112 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 43732450 XTYQJDDJSCXYNN-JKHABCDFSA-N 428.448 3.366 5 40 IGBB O=C(CCNc1ccccc1[N+](=O)[O-])OCc1nc2ccccc2c(=O)n1Cc1ccco1 11365760 LRQWTNBINUWCFP-UHFFFAOYSA-N 448.435 3.491 5 40 IGBB O=C(Nc1ccccc1C(=O)N1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1Cl 24996772 JHXUUWYBOWQJNF-UHFFFAOYSA-N 445.859 3.480 5 40 IGBB COc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222367045 JSWITHCPDCXTMC-OAHLLOKOSA-N 435.502 3.027 5 40 IGBB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534113 VTWXLSRONJTZIW-LJQANCHMSA-N 431.514 3.033 5 40 IGBB COc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1[N+](=O)[O-] 2649654 VDSFDZDVJLYVKR-JTQLQIEISA-N 429.454 3.383 5 40 IGBB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 10060093 MFOWQTXZPYKFLH-IBGZPJMESA-N 436.428 3.131 5 40 IGBB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 95347699 JMNXNOZYILVYLE-SFHVURJKSA-N 432.864 3.312 5 40 IGBB O=C(O)c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)cc([N+](=O)[O-])c2)cc1 408673223 QJHJTQDJUOQNEK-UHFFFAOYSA-N 449.375 3.496 5 40 IGBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccccc2I)cc1[N+](=O)[O-] 20528818 YSFYDPCUJUGSNJ-UHFFFAOYSA-N 443.153 3.369 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33423695 FERFLKCUXXKIQD-UHFFFAOYSA-N 439.472 3.456 5 40 IGBB CCN(CC)C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 40012945 HOYAHOMWHWLAGI-LJQANCHMSA-N 440.500 3.482 5 40 IGBB CCOc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 409322719 LOEOEWVZXHLRPZ-ZZXKWVIFSA-N 441.356 3.461 5 40 IGBB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 680569420 XVJHCQBZYAYQTH-DEOSSOPVSA-N 425.488 3.163 5 40 IGBB O=C1CC[C@@]2(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)Sc3ccccc3N12 3568990 ULIJWRDYOSYSRQ-FQEVSTJZSA-N 428.422 3.134 5 40 IGBB O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)nc2ccccc12 9379471 XCJKLKHMVONOSS-UHFFFAOYSA-N 433.390 3.172 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(I)c1 9846236 RIJDIUYFTZMIET-UHFFFAOYSA-N 445.213 3.465 5 40 IGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 10386745 HLTOXEJKMIRCKN-KPKJPENVSA-N 441.509 3.418 5 40 IGBB CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2112717 IPESCDKHOHDSIF-NZQKXSOJSA-N 432.480 3.417 5 40 IGBB biogenic CNc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] 12640353 FCWDJZFYNGYQPN-UHFFFAOYSA-N 425.441 3.143 5 40 IGBB CC(C)COC[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccco1 58178769 SJRWVFNUNZSYOL-INIZCTEOSA-N 431.445 3.406 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 220391117 KCNMKDZLOWZZMY-OAHLLOKOSA-N 435.502 3.484 5 40 IGBB O=C(C1=NO[C@@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12)c1ccc([N+](=O)[O-])cc1 100354925 VDJYROQHBGVPDA-BBRMVZONSA-N 434.191 3.029 5 40 IGBB C[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCC2 223235617 HYLUACICFCGVAD-HUUCEWRRSA-N 431.514 3.115 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408660619 WPXUOCRRRDSUKQ-CDHQVMDDSA-N 447.447 3.175 5 40 IGBB O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355762 SILOXTMCYHGDCA-UHFFFAOYSA-N 446.510 3.244 5 40 IGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc(Br)cc1 12522941 READJJRPSGXDIM-LLVKDONJSA-N 437.246 3.190 5 40 IGBB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225092537 NNQQVFHIMGITTA-UHFFFAOYSA-N 436.486 3.449 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225531992 QSWKXRJYGYDOCR-KRWDZBQOSA-N 443.500 3.233 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260842747 XJGWGCGAHYPBMD-INIZCTEOSA-N 449.529 3.070 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1[N+](=O)[O-] 408669152 MWYNRMRBZGNIEO-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB Cn1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 1547206290 CAVIGONJSJWJMR-AEFFLSMTSA-N 434.496 3.217 5 40 IGBB biogenic O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2)c(S(=O)(=O)N2CCOCC2)c1 9539565 LMEAWVUMPSCGMN-UHFFFAOYSA-N 443.275 3.171 5 40 IGBB COc1ccc(OC)c(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 13972421 KFGFWLOEMLDELM-UHFFFAOYSA-N 449.466 3.154 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(CCN1CCOCC1)c1nc2c(F)cc(F)cc2s1 22998575 CRISMJMYEFNUMR-UHFFFAOYSA-N 448.451 3.462 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408671044 SAMDLCIQLCWAHL-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB COc1ccc(Cc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 409165019 RBSGMBRYJYEMAJ-UHFFFAOYSA-N 427.486 3.362 5 40 IGBB COc1ccccc1CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14826654 FMWDEQPSFKCPPZ-UHFFFAOYSA-N 433.467 3.074 5 40 IGBB CC(C)(C)c1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)O2 38853973 OBNWLSXUJMGBLK-GOSISDBHSA-N 433.486 3.058 5 40 IGBB O=C1c2cc([N+](=O)[O-])cc(C(=O)N3CCCCC3)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 43379619 XQGJLHAKPQGERB-UHFFFAOYSA-N 426.341 3.249 5 40 IGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCCNc3ccncc3)c([N+](=O)[O-])c2)C1 72278770 IHMFHXHUEYOFLM-MRXNPFEDSA-N 433.534 3.325 5 40 IGBB CC(C)(C)OC(=O)N(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 1848351078 WLNICCISROEBRL-UHFFFAOYSA-N 435.502 3.310 5 40 IGBB CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc([N+](=O)[O-])cc1 9426883 XAWAKZSDAPDTTI-UHFFFAOYSA-N 441.469 3.157 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 16429243 CUFFXMISNJFOGE-UHFFFAOYSA-N 444.252 3.492 5 40 IGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCCn1cccn1 30168952 WLRMALVGMLJLIG-UHFFFAOYSA-N 430.468 3.393 5 40 IGBB Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640693 WBJLGGZYSVODGC-PKOBYXMFSA-N 431.539 3.487 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 33400942 UXANMEMITBNACN-UHFFFAOYSA-N 433.467 3.196 5 40 IGBB O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16493510 ILNUNJIXBCRGRQ-UHFFFAOYSA-N 431.364 3.264 5 40 IGBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 30861699 LOYOZDXQUKETOQ-UHFFFAOYSA-N 427.866 3.196 5 40 IGBB CNc1ccc(C(=O)OCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1[N+](=O)[O-] 32858162 IFBSWLDJLFVHPX-UHFFFAOYSA-N 434.408 3.345 5 40 IGBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 13387809 JWFRVFKQMGTLRM-QGZVFWFLSA-N 439.471 3.256 5 40 IGBB Cc1ccc(CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1F 57568462 LCKWOADTLCYFOB-UHFFFAOYSA-N 437.475 3.029 5 40 IGBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 102699634 QKJYOWDIFZIZCD-GUDVDZBRSA-N 426.860 3.092 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc2ccccc12 138697295 DFSQMEORPTXOGS-MRXNPFEDSA-N 433.420 3.283 5 40 IGBB CCCC[C@@H](CC)CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 224831165 RKEOOCYYTPRTOA-MRXNPFEDSA-N 443.566 3.482 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 408576924 YWHHGGZLWLBBRC-UHFFFAOYSA-N 447.875 3.396 5 40 IGBB CCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc12)[C@H]1CCS(=O)(=O)C1 9612697 LCCOTIVSAKNSPH-SFHVURJKSA-N 425.506 3.185 5 40 IGBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3CCc3ccccc3)c(=O)n2c1 15952831 YIYWHMSXLQQLCN-UHFFFAOYSA-N 441.535 3.352 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O 16450519 NCOPYMUCEVGRQA-UHFFFAOYSA-N 444.252 3.492 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)N2CCOCC2)c1 23108200 URUZWOAUMSPUCM-QFIPXVFZSA-N 441.509 3.100 5 40 IGBB O=[N+]([O-])c1c(/C=C/c2ccccc2)nc(NCCCn2ccnc2)nc1N1CCOCC1 71195144 VOQIZLCBZZOCFY-BQYQJAHWSA-N 435.488 3.091 5 40 IGBB Cc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1S(=O)(=O)N(C)C 12595691 WDSZUQOQNCTCQT-UHFFFAOYSA-N 446.529 3.009 5 40 IGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cccc1[N+](=O)[O-] 12911411 BFGQXUHWCZFKBL-UHFFFAOYSA-N 443.525 3.431 5 40 IGBB COc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1[N+](=O)[O-] 17098337 LUYFJMDDZIKREU-UHFFFAOYSA-N 433.339 3.295 5 40 IGBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 32640698 PTZQTMVSGQGCII-RDJZCZTQSA-N 439.465 3.148 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 39964019 KWDUGGMABHDUEO-APWZRJJASA-N 435.440 3.040 5 40 IGBB Cc1c(N(CC(=O)Nc2cccc(Br)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220023566 PFORXHCVJXGZLT-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 223524910 VHIRAPMMGOOCBL-UHFFFAOYSA-N 429.498 3.407 5 40 IGBB C[C@@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225700900 SKFPMKFHUXPZJP-LBPRGKRZSA-N 445.419 3.085 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NCC(C)C)cc1 408590477 GZFRDNFPXWCTJV-OAHLLOKOSA-N 435.502 3.244 5 40 IGBB COC(=O)c1sc2ncn3nc(-c4ccc(Cn5ccc([N+](=O)[O-])n5)cc4)nc3c2c1C 2793333 YQFWMDZEFVSUFJ-UHFFFAOYSA-N 449.452 3.254 5 40 IGBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 8738889 UZYQQRHVDXDQNW-DZKIICNBSA-N 439.474 3.140 5 40 IGBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 9545899 BZGAGNALRXOVEP-UHFFFAOYSA-N 447.875 3.457 5 40 IGBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccco3)cc2)c([N+](=O)[O-])c1 10220701 GDTNODSKGDGQDM-UHFFFAOYSA-N 445.453 3.269 5 40 IGBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 12909534 ATWQAAQIKJQUBD-KMFMINBZSA-N 441.502 3.159 5 40 IGBB Cc1cccc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1[N+](=O)[O-] 30063076 KAXLBNDFEHVVRT-UHFFFAOYSA-N 429.498 3.281 5 40 IGBB CC[C@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222517860 LEQIEFYFZJGZCE-GOSISDBHSA-N 437.543 3.048 5 40 IGBB COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1)C(=O)OC 409078644 IZWLALWZMFKSEI-UHFFFAOYSA-N 432.341 3.033 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 8449440 LMPLCZLZKDYKHQ-LPTDTENNSA-N 448.431 3.170 5 40 IGBB O=C(O)CCCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 9065103 AVIHGLLYWABOFS-CYVLTUHYSA-N 425.441 3.127 5 40 IGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17098370 KSVQVEHNABYBBJ-UHFFFAOYSA-N 433.421 3.369 5 40 IGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1cccc2ccccc12)N1CCOCC1 23108206 ZDVQMGLKVNZXBY-NRFANRHFSA-N 441.509 3.100 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222678664 FKLXLNRFNNQIGL-UHFFFAOYSA-N 443.428 3.067 5 40 IGBB O=C1CC[C@@H](COC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(Cc3ccccc3)CC2)N1 12554322 SOPMWPRMHFPZLL-IBGZPJMESA-N 437.496 3.489 5 40 IGBB Cc1c(CS(=O)(=O)[C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] 48250868 SSAPZXXYZWACLL-CQSZACIVSA-N 434.470 3.007 5 40 IGBB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113877031 HDQWNSUVOXKAJZ-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB Cc1[nH]nc(O)c1C(c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1c(O)n[nH]c1C 8972985 KFOJVJMJGTWBEJ-UHFFFAOYSA-N 449.423 3.468 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(NC(C)=O)cc2)n[nH]1 408674884 LLLJJPKNJDCNLX-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(C(F)(F)F)c1 9373647 HNSQZIPRHKEDPV-UHFFFAOYSA-N 431.392 3.378 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 12514759 NKXFEQFJUUVFOL-STQMWFEESA-N 437.440 3.149 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3cccnc3)c3nnnn3C3CCCC3)CC2)cc1 13561813 KNGZPMATBAYWQT-OAQYLSRUSA-N 434.504 3.003 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OC(=O)Oc2nc3ccccc3o2)c([N+](=O)[O-])c1 58377670 KUSCVIAZHLDORK-UHFFFAOYSA-N 435.414 3.344 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102530280 UTCAVOOSNXAPSO-ZPLOVTKXSA-N 429.432 3.405 5 40 IGBB C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](COC(=O)Nc3ccccc3)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 104176408 BFRFVVOBDSBOAF-IACLWVNRSA-O 437.516 3.319 5 40 IGBB COc1cc(OCC(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 219829978 HCLYNOVPEXYQRJ-UHFFFAOYSA-N 432.820 3.344 5 40 IGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc21 408530295 KBJLXWLYOVLXTA-WQRHYEAKSA-N 438.465 3.064 5 40 IGBB O=C(NCc1cc(-c2ccc(F)cc2F)on1)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 1680614061 WWXIIICYZALSAH-UHFFFAOYSA-N 428.355 3.404 5 40 IGBB CN(CC(=O)Nc1cccc(F)c1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br 9453876 JYXOMVCZUHBWSH-UHFFFAOYSA-N 439.241 3.005 5 40 IGBB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14699618 WSIQOAOSMXHJBM-UHFFFAOYSA-N 436.420 3.246 5 40 IGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(Cc3csc4ccccc34)CC2)c1 25753562 DASOONVMVAVIOB-IBGZPJMESA-N 427.526 3.367 5 40 IGBB O=C(OCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100539024 IKRYMYYEMMINCF-UHFFFAOYSA-N 449.332 3.369 5 40 IGBB Cc1ccc(CCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220393548 QFNJWMTXPZIISI-KRWDZBQOSA-N 433.530 3.115 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 408641625 CVZGUUOEZMMUMD-BGYRXZFFSA-N 449.463 3.319 5 40 IGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O)c1ccccc1 4084471 AWCFLDOPPCKLFN-UHFFFAOYSA-N 430.372 3.435 5 40 IGBB COc1ccc(OCCCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 9544870 GTOBXWDXEOIQEA-UHFFFAOYSA-N 432.429 3.261 5 40 IGBB COc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 16045556 LYCMKWFJGWKFSY-SNVBAGLBSA-N 434.865 3.352 5 40 IGBB C[C@@H](CN1CCCC1=O)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 40157738 RICQCDHPOFPVET-ZDUSSCGKSA-N 444.875 3.241 5 40 IGBB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 62581958 HBFBBAPYENOHQK-OAHLLOKOSA-N 442.877 3.230 5 40 IGBB COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])o2)C2CCCCC2)ccc1OCC(N)=O 17097451 AAPRCMZYEIHZRG-UHFFFAOYSA-N 431.445 3.036 5 40 IGBB COc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 25064056 NAAQFCVCMGFYNF-UHFFFAOYSA-N 448.501 3.100 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859804 XSNFTXQIRQFUEK-KRWDZBQOSA-N 439.877 3.112 5 40 IGBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 409106675 SJGCFOCBYSYSJJ-DEDYPNTBSA-N 445.435 3.225 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCCO2 409196424 UZLXEAAXSXKRFN-RQZCQDPDSA-N 441.421 3.041 5 40 IGBB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1[N+](=O)[O-] 3306517 UAHDQUALKJTIPD-UHFFFAOYSA-N 446.441 3.261 5 40 IGBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc2OC)cc1 9539693 AXNVVNSDZCRPLS-UHFFFAOYSA-N 447.425 3.258 5 40 IGBB COC(=O)c1cc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc([N+](=O)[O-])c1 21763048 FEYTZOXXJYZGRT-UHFFFAOYSA-N 446.769 3.291 5 40 IGBB CCOc1cc2c(cc1CNC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@H](C)C2 26386933 FUUZDYTVNRGMST-OAHLLOKOSA-N 441.484 3.084 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(Cc2ccccc2)CC1 58450238 XWCZJZCYBPEEKC-UHFFFAOYSA-N 444.557 3.092 5 40 IGBB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768962 YDUXFRQRMVFUOH-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB COc1ccc(N(CC(=O)N[C@H](C)C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 260903971 ZDGGWTVXIZRRQA-MRXNPFEDSA-N 449.529 3.268 5 40 IGBB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408660803 WXDGKOOFBHINNP-UJKMTWAASA-N 439.427 3.132 5 40 IGBB O=C(Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCC1 9519662 MZIMNHOSVVCGNK-UHFFFAOYSA-N 427.482 3.146 5 40 IGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccco1 101173208 TWPNACVHBBQPOU-QLYXXIJNSA-N 448.479 3.124 5 40 IGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101723792 OBMUTBBPPYUMQF-UFOPBENGSA-N 430.416 3.372 5 40 IGBB CCCn1/c(=N\C(=O)C2CCCCC2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627756 FLDNJAZZMPLSCV-QLYXXIJNSA-N 436.512 3.244 5 40 IGBB COc1ccc(Cl)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222361568 CMWYFMBODDZMHB-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 408581630 YAOHVZUFUSCBSJ-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl 408665565 FWBWULFBCYFWRF-CQSZACIVSA-N 445.859 3.400 5 40 IGBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)n1C1CC1 9964017 TVBLUKACTHQVTE-UHFFFAOYSA-N 427.457 3.224 5 40 IGBB COC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc([N+](=O)[O-])c1 12804719 PORWJMOYPFBZJX-UHFFFAOYSA-N 435.318 3.233 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 24068420 XPRVMQJKFYRDJF-UHFFFAOYSA-N 447.513 3.341 5 40 IGBB Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)sc1C(=O)Nc1nccs1 1836654 VWLGNOCYVBRSNV-UHFFFAOYSA-N 436.500 3.073 5 40 IGBB CCOC(=O)Nc1ccc2c(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc(=O)oc2c1 9980915 YKYVSVJHHDDNNA-UHFFFAOYSA-N 437.364 3.066 5 40 IGBB CCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21 100707518 JSKVJCKYSKOPIY-UHFFFAOYSA-N 442.928 3.415 5 40 IGBB Cc1c(N(CC(=O)NCc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 223519519 UIZUJGCAYGHYII-UHFFFAOYSA-N 445.419 3.004 5 40 IGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1ccc([N+](=O)[O-])cc1 408643669 GLEOPXBCCIWOFG-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1cccs1 408653465 PWFSJZQRNUVKKR-HZPDHXFCSA-N 441.465 3.072 5 40 IGBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 862024 NJCFZAQHPSTZNL-UHFFFAOYSA-N 438.889 3.392 5 40 IGBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)s1 1747055 QUWQKTVQYYQGTB-UHFFFAOYSA-N 439.500 3.123 5 40 IGBB Cc1ccc(NS(=O)(=O)c2ccc(-n3ccc(=O)c([N+](=O)[O-])c3)c([N+](=O)[O-])c2)c(C)c1 78968070 XVJYZCHWDPNFJR-UHFFFAOYSA-N 444.425 3.072 5 40 IGBB CN(C)c1nc2ccc(NC(=O)CCCn3c(=O)oc4cc([N+](=O)[O-])ccc43)cc2o1 83855449 XGNCKPRAYZHYOO-UHFFFAOYSA-N 425.401 3.129 5 40 IGBB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408561526 JFOYVGCHJGXOKI-UHFFFAOYSA-N 433.486 3.095 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 15740602 VEKXTNTXUWXWIN-CQSZACIVSA-N 434.518 3.158 5 40 IGBB COc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1[N+](=O)[O-] 15787680 WBTKIIYIKLQAJK-UHFFFAOYSA-N 431.317 3.261 5 40 IGBB Cc1c(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)oc2ccccc12 17368937 SZMVZRYRXVHWJP-UHFFFAOYSA-N 443.481 3.015 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1[N+](=O)[O-] 408667717 KAPPYKPFWXNVQW-INIZCTEOSA-N 425.441 3.055 5 40 IGBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(C3CCCC3)c2=N)cc1 2207303 WVGRKZNATRBPQH-UHFFFAOYSA-N 434.521 3.385 5 40 IGBB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 12632085 BZBMXTJVMZBWGE-UHFFFAOYSA-N 449.471 3.371 5 40 IGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13097191 UCSBHGUUARQKDF-UHFFFAOYSA-N 429.864 3.254 5 40 IGBB O=C(O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224753029 OGUQCQBDZRFIJI-UHFFFAOYSA-N 442.449 3.454 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408686237 RBFNOBLAFGHARB-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 8931712 YJVVIRQVUAWISQ-IBGZPJMESA-N 428.464 3.287 5 40 IGBB O=[N+]([O-])c1ccc(NNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c([N+](=O)[O-])c1 9310372 CZSOJZFXYFZJCU-UHFFFAOYSA-N 443.468 3.108 5 40 IGBB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 11533202 FNARJAJMCAMXMV-INIZCTEOSA-N 425.441 3.000 5 40 IGBB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 15109517 UWQWAPGUQNXHOL-NEPJUHHUSA-N 437.283 3.121 5 40 IGBB COc1c(O)ccc([C@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1[N+](=O)[O-] 16293013 PDLMQUGXWUKTAC-MRXNPFEDSA-N 428.470 3.049 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@@H](c1ccccc1)c1nc[nH]n1 97141280 PEQXBINKWMIGNO-IBGZPJMESA-N 442.501 3.089 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O)c1ccc(Cl)cc1 138840657 UDOWKGCAVQGRBL-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB CC[C@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523043 RIZUJBQVWSDPKQ-QGZVFWFLSA-N 425.894 3.109 5 40 IGBB COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 408610726 RWEGURDCFWWYFY-SFHVURJKSA-N 445.447 3.106 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408687208 TWVCWZIBZPCVAY-HKUYNNGSSA-N 447.447 3.176 5 40 IGBB COc1ccccc1C(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 1886160 XIZKTWOGQHTTJY-UHFFFAOYSA-N 445.482 3.438 5 40 IGBB COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 9357952 FGVZXIXKJOHUSK-HNNXBMFYSA-N 438.889 3.086 5 40 IGBB Cc1sc2nc(COC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9713753 DRYIHVYWNKEEMT-UHFFFAOYSA-N 428.470 3.467 5 40 IGBB aggregator O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CCCO1 13041914 ZPIBNNPTMONINZ-AWEZNQCLSA-N 442.859 3.306 5 40 IGBB CN([C@@H](Cc1ccccn1)C(C)(C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 72307442 YOTXBSVUDPEQNC-IBGZPJMESA-N 435.502 3.039 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224830962 CBLCNOZKMTVPIX-UHFFFAOYSA-N 443.566 3.481 5 40 IGBB COc1ccc(CCN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC 8687786 APDYFAAMAXXIBS-UHFFFAOYSA-N 449.529 3.075 5 40 IGBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccncc4)[C@H]3C2=O)cc1 9209885 IKDDKLDLWXZRND-NJYVYQBISA-N 430.420 3.349 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(OCc2cccc(Cl)c2)c1=O 16943803 CNYAQBFHNMVOTD-UHFFFAOYSA-N 429.816 3.300 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2F)CC1 19868501 KBBUPRJNTCBSAA-UHFFFAOYSA-N 435.477 3.223 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1CN(C)[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408568860 VAMHJCBFYKFJKR-DCPHZVHLSA-N 446.301 3.370 5 40 IGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408667726 KCOWSEVJJAJWCT-QGZVFWFLSA-N 439.468 3.254 5 40 IGBB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 9339274 ASBWWWGTAITXEJ-UHFFFAOYSA-N 430.770 3.441 5 40 IGBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 16517476 CXISVQUPCLWKQZ-IBGZPJMESA-N 425.397 3.432 5 40 IGBB CC(=O)Oc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 12364663 SGLVTEUAESZBDH-UHFFFAOYSA-N 427.442 3.046 5 40 IGBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@H]3CC(N)=O)c([N+](=O)[O-])c2)c(C)c1 89614182 PLQHRZIVONFFIZ-INIZCTEOSA-N 446.529 3.247 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 103999962 VXWNHYQXRDWVHF-GDBMZVCRSA-N 436.207 3.203 5 40 IGBB Cc1c(N(CC(=O)Nc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220030611 XLVHEHLSKMGHEB-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 222593874 UJGAVLXZEJQUMI-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224166411 QTIZCDDBYMSGEK-OAHLLOKOSA-N 435.502 3.027 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C 408556641 IWTVMNANANUZGW-INIZCTEOSA-N 447.513 3.341 5 40 IGBB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 9974802 ITWJQVOFTILPOL-MRXNPFEDSA-N 447.513 3.260 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H](C)c2ccccc2)CC1 12754609 QUAAFZFTSWAVIE-QGZVFWFLSA-N 445.541 3.224 5 40 IGBB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20410944 DOODTMSFTZMDQA-UHFFFAOYSA-N 444.513 3.347 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 408648720 KDGJBKWVOFZYGV-UHFFFAOYSA-N 447.378 3.270 5 40 IGBB CCOC(=O)c1c(NC(=O)Cn2cnc([N+](=O)[O-])n2)sc2c1CC[C@@H](C(C)(C)C)C2 2081464 WJEXOVQBBJSHOX-LLVKDONJSA-N 435.506 3.214 5 40 IGBB CCOC(=O)Nc1ccc2c(Cn3cnc4cc([N+](=O)[O-])ccc4c3=O)cc(=O)oc2c1 3430543 DYESCXMVQFAVES-UHFFFAOYSA-N 436.380 3.028 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 8918653 DOFAJULQEYVWNM-LPKWFMKBSA-N 433.464 3.176 5 40 IGBB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 10428378 NBZGNLRTTLXRRU-UHFFFAOYSA-N 444.875 3.464 5 40 IGBB COC(=O)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409350501 RYEWKERZDWNBKU-LICLKQGHSA-N 426.406 3.301 5 40 IGBB CCCC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 6481419 BYQAWHPUMXIMMG-KRWDZBQOSA-N 439.424 3.175 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCCC1 9356411 SAJUQFANNUUSGS-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 15827980 SLSOMFWHJQENAV-IBGZPJMESA-N 427.457 3.014 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)cc1 15740603 VEKXTNTXUWXWIN-AWEZNQCLSA-N 434.518 3.158 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907196 UZLYQAIWRXXCJX-HXUWFJFHSA-N 427.482 3.266 5 40 IGBB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 9510014 HAVVIICFQCWXSR-JTQLQIEISA-N 438.820 3.458 5 40 IGBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103933920 XJPLLHRKSVYLLG-UHFFFAOYSA-N 431.361 3.272 5 40 IGBB CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225472176 PRXSBVJTCNGLGV-ZDUSSCGKSA-N 434.290 3.063 5 40 IGBB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 260805366 BRSNDEWCDAWDEE-CVEARBPZSA-N 433.530 3.498 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409136231 RXCLDAGHDJTRIJ-RQZCQDPDSA-N 444.421 3.303 5 40 IGBB O=C(c1ccccc1)c1ccc(NCCCN2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 12521933 PRSCACFKZUKOAU-UHFFFAOYSA-N 446.511 3.240 5 40 IGBB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13940851 DWGRSUCAJDJZFB-UHFFFAOYSA-N 436.873 3.484 5 40 IGBB NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCCC2 19640838 BZLXFGXAQCJQBA-UHFFFAOYSA-N 444.513 3.113 5 40 IGBB Cc1ccccc1[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57524780 XBDLFYJUPNIOEF-SFHVURJKSA-N 433.512 3.451 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N2CCc3c(cccc3NC(C)=O)C2)c([N+](=O)[O-])c1 59420645 UHASSAIAHHEBRM-UHFFFAOYSA-N 446.529 3.146 5 40 IGBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222804753 UBIIPWHDSYAPRO-FQEVSTJZSA-N 427.501 3.478 5 40 IGBB O=C(CSc1nnc(-c2ccncc2)n1C[C@@H]1CCCO1)Nc1ccc([N+](=O)[O-])cc1 9059397 ZAYCGCPZVFURNY-KRWDZBQOSA-N 440.485 3.158 5 40 IGBB COc1cc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c([N+](=O)[O-])cc1OC 9540437 QPNRMXYXRNELDM-UHFFFAOYSA-N 426.328 3.009 5 40 IGBB COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c(OC)c1 20130959 ZAAOYQDKRMBMJL-UHFFFAOYSA-N 433.420 3.126 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc(F)c1 101176441 SHKMRAQXMYJNFB-MEFGMAGPSA-N 448.454 3.287 5 40 IGBB CCOCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225872816 UCTHUWPUODWDQP-UHFFFAOYSA-N 429.473 3.400 5 40 IGBB O=C(c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1)N1CCOCC1 838029 KHAMNKBNEDIQLG-UHFFFAOYSA-N 431.404 3.021 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 28208211 UFMLXAHAWOALCY-UHFFFAOYSA-N 441.893 3.296 5 40 IGBB C[C@H](C(=O)NCc1ccc2ccccc2c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222807227 CEGXJEMSPWOKLW-OAHLLOKOSA-N 427.482 3.219 5 40 IGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 4121266 BJJGTRMREJSILU-UHFFFAOYSA-N 441.444 3.204 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccc(Cl)cc1)S(C)(=O)=O 22374759 BMZZAEMPJDYECO-UHFFFAOYSA-N 439.921 3.072 5 40 IGBB COc1cc(CC[C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)ccc1O 2107244 YDIOODKHMXDQNW-ZWKOTPCHSA-O 430.521 3.196 5 40 IGBB biogenic CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2146926 MHXRDIPADVDYNS-REWPJTCUSA-N 432.480 3.417 5 40 IGBB biogenic O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1 3302172 VXKAUZXOXUREJR-UHFFFAOYSA-N 434.411 3.045 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 8692971 RSJXAVYTSIBCGY-UHFFFAOYSA-N 441.893 3.296 5 40 IGBB COc1ccc(C(=O)[C@@H](C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-] 9601547 LMLKHNVWHOUCKT-IBGZPJMESA-N 447.875 3.101 5 40 IGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)NCc1ccc(F)cc1 9829068 ZVKIJHCYTIGKRG-UHFFFAOYSA-N 438.444 3.247 5 40 IGBB CCN(CC)Cc1ccccc1CNC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] 16140501 RLCSVNJPNLASFB-UHFFFAOYSA-N 431.489 3.392 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c1 23108197 URUZWOAUMSPUCM-JOCHJYFZSA-N 441.509 3.100 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408589755 FIIOVXZVQPUTFE-HXUWFJFHSA-N 425.466 3.123 5 40 IGBB C[C@@H](O)Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 9388829 PSMLPIHDXRIRDT-LLVKDONJSA-N 448.888 3.070 5 40 IGBB COc1cc(NC(=O)COC(=O)/C=C/c2ccc(Br)o2)c(C)cc1[N+](=O)[O-] 9509748 BNPSZISKWMWWIW-GQCTYLIASA-N 439.218 3.462 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 9720551 YCPCABMTQWPYCU-UHFFFAOYSA-N 425.466 3.368 5 40 IGBB CCOc1ccc(CCNC(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC 9882980 UIQNSJMCRPAWOJ-UHFFFAOYSA-N 430.457 3.216 5 40 IGBB C[C@H]1CCCN(c2ccc(C(=O)N(C)Cc3nnc4n3CCCCC4)cc2[N+](=O)[O-])C1 32898823 LUOGZPIWIARORL-INIZCTEOSA-N 426.521 3.421 5 40 IGBB COc1ccc(Br)cc1CN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 48355824 VJCLWVVQAZMNSG-UHFFFAOYSA-N 429.292 3.328 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 501788032 CHMZZHGOQVDVSC-SZNDQCEHSA-N 433.892 3.263 5 40 IGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2c(F)cccc21 531365673 NXAXFFUNIXBQBE-HNNXBMFYSA-N 447.488 3.114 5 40 IGBB O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9510219 NWBUZNOMACEBQV-OAHLLOKOSA-N 435.845 3.233 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC1(c2ccccc2)CCC1 9910217 VVQARISCDSBDGH-UHFFFAOYSA-N 431.514 3.150 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCn1cnc2ccccc21 17282814 KYYDEBUUERMFSL-UHFFFAOYSA-N 429.502 3.231 5 40 IGBB Cc1c(Cl)cc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 18707119 UFOFUEQLZVXRPS-UHFFFAOYSA-N 436.877 3.155 5 40 IGBB Cc1c(N(CC(=O)Nc2cccc(C(F)(F)F)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220024675 AIVMQYYDNSZJCI-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB CC(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 8710324 MCFPTPGHKUVIDN-LJQANCHMSA-N 430.486 3.300 5 40 IGBB CCOc1cc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c([N+](=O)[O-])cc1OC 19473837 HLKZBEHMYKEYIK-UHFFFAOYSA-N 429.381 3.480 5 40 IGBB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225391455 DNXFQCWYIHYXMS-FQEVSTJZSA-N 427.501 3.480 5 40 IGBB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Cl)c1 408526657 BQMDZVBBIOANML-UHFFFAOYSA-N 441.893 3.262 5 40 IGBB CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](C(C)C)C2=O)cc1[N+](=O)[O-] 8769452 HKAYHRPMGRETGB-FQEVSTJZSA-N 426.425 3.262 5 40 IGBB COc1ccc(NC(=O)CN2C(=O)N[C@](CC(C)C)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 9127572 HCYYGMGZVCZMCE-JOCHJYFZSA-N 440.456 3.035 5 40 IGBB O=C([C@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 27666385 JYQQHGTVVDKFCR-JOCHJYFZSA-N 429.524 3.061 5 40 IGBB COc1ccccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 100943222 DLMALLWDACOCFI-IFMALSPDSA-N 442.431 3.386 5 40 IGBB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113877585 VKWDNISYGPZACM-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 409003211 RLYFSMQJUQBLAC-IBGZPJMESA-N 448.497 3.022 5 40 IGBB Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2728535 WQHHUDWMOXBIEA-UHFFFAOYSA-N 441.398 3.177 5 40 IGBB Cc1cccc(C(=O)OCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] 13159870 DIKUXODIPCMEJA-HXUWFJFHSA-N 428.441 3.345 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 39964018 KWDUGGMABHDUEO-VQIMIIECSA-N 435.440 3.040 5 40 IGBB CC[C@@H](C(=O)NCCSc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222517810 LEQIEFYFZJGZCE-SFHVURJKSA-N 437.543 3.048 5 40 IGBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408647536 JKQANYLMJMRLDO-RYGJVYDSSA-N 449.463 3.399 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 408650692 MRHBMEJLTLYAHF-JSGCOSHPSA-N 446.843 3.424 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 31813347 DODQELDFWSQTEP-HNNXBMFYSA-N 426.820 3.337 5 40 IGBB CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290764 AJZXEWYHASXHME-LJQANCHMSA-N 427.534 3.355 5 40 IGBB O=C(NCc1ccccc1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199424857 BYJSKFXXXKBAAV-IBGZPJMESA-N 425.828 3.150 5 40 IGBB CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 14273397 AZDIJOCNWTZSPV-UHFFFAOYSA-N 446.891 3.324 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(C)c1C)S(C)(=O)=O 222632288 JPFFCYSICXSGRP-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB COc1ccc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408566292 NKVJTNGQQWXROZ-JSECANHTSA-N 432.274 3.026 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1NCc1cccnc1 9720977 KAQNGJWHGHOVPV-UHFFFAOYSA-N 425.880 3.372 5 40 IGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 32858170 PORDBUFTNUUACG-UHFFFAOYSA-N 448.435 3.369 5 40 IGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3)c2=N)cc1 100869811 XIUDEHRWURNOAB-UHFFFAOYSA-N 449.514 3.415 5 40 IGBB CC[C@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[C@@H](CC)CN1C(C)=O 106923126 PPXHTLFNVFVMCL-STQMWFEESA-N 437.440 3.114 5 40 IGBB CC[C@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224654950 KUKJTUGBYZEHLJ-LJQANCHMSA-N 433.530 3.277 5 40 IGBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408652441 ONRYBPJSAXVKLG-GOEBONIOSA-N 426.425 3.079 5 40 IGBB CCOC(=O)C[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 3622626 QAGANXXAMHGXQW-INIZCTEOSA-N 432.429 3.045 5 40 IGBB CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F 6600657 IXWXROPKLXCRBQ-VQHVLOKHSA-N 427.388 3.259 5 40 IGBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 40400493 XMXQBJORQQWRGZ-OAHLLOKOSA-N 448.439 3.103 5 40 IGBB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 9540032 MGBMZIQXQYZTJF-IBGZPJMESA-N 426.429 3.269 5 40 IGBB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 25326877 LROSBAXGESXZGZ-UHFFFAOYSA-N 436.512 3.364 5 40 IGBB CCSc1n[nH]c(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n1 40398930 SUMNYZKZTDULLE-UHFFFAOYSA-N 444.520 3.173 5 40 IGBB CC[C@H](C)N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101477221 SYYZSHSUUWGNRU-MWVRUIGXSA-N 445.475 3.461 5 40 IGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)cc1 223063156 JDLXFUNJSAOYHP-MRXNPFEDSA-N 427.501 3.478 5 40 IGBB COc1ccc(NC(=O)CN2C(=O)N[C@@](CC(C)C)(c3ccccc3)C2=O)c([N+](=O)[O-])c1 9127571 HCYYGMGZVCZMCE-QFIPXVFZSA-N 440.456 3.035 5 40 IGBB Cc1ccc(-c2csc(NC(=O)COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)n2)cc1 9583125 WSIGHIJXHGBJST-UHFFFAOYSA-N 429.458 3.022 5 40 IGBB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)nn1 15880784 IAAQHLXTTZFRAM-UHFFFAOYSA-N 432.845 3.361 5 40 IGBB Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640694 WBJLGGZYSVODGC-HKUYNNGSSA-N 431.539 3.487 5 40 IGBB O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 40043389 GZQOFXVARLXONI-MHZGPWMTSA-N 440.544 3.330 5 40 IGBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 8868268 NAZNEZJZKGBRBN-OAHLLOKOSA-N 442.877 3.230 5 40 IGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1C1CCCCC1 9240793 MYVMCYHPBXIZEG-AUSIDOKSSA-N 440.500 3.297 5 40 IGBB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12767201 ZLHOARRZFHIYRM-UHFFFAOYSA-N 441.362 3.430 5 40 IGBB Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C 22097554 QMOLTNOLKRYBDJ-JKSUJKDBSA-N 425.441 3.135 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 33920128 YAOJLVKSVMJFBW-VAWZGJIGSA-N 449.500 3.033 5 40 IGBB CCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101146548 LTQFZFLZKDTJCC-QYQHSDTDSA-N 444.491 3.285 5 40 IGBB Cc1c(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)ccc2c1oc(=O)c1ccccc12 2159944 VCXROLZIPAFETE-FQEVSTJZSA-N 431.444 3.446 5 40 IGBB biogenic Nc1cc([N+](=O)[O-])c(CCNC(=O)c2ccccc2)cc1CCNC(=O)c1ccccc1 3845104 DUVWZNOGXWOPJF-UHFFFAOYSA-N 432.480 3.122 5 40 IGBB biogenic CC(C)[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505220 NIJWSHMXEUCUKB-IBGZPJMESA-N 427.534 3.210 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cccc(C(F)(F)F)c1 9125008 HVWPYRJKRULQLD-UHFFFAOYSA-N 446.403 3.214 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccc(OC(F)F)c(OC)c1 9283308 HGXJAJCVFYEDEN-UHFFFAOYSA-N 425.388 3.284 5 40 IGBB COc1cc(OC)c(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 9510015 HAVVIICFQCWXSR-SNVBAGLBSA-N 438.820 3.458 5 40 IGBB Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 138527279 DIOGHQQYOCEPGX-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223235520 BKZRTXDHBDRWOX-HOTGVXAUSA-N 445.541 3.424 5 40 IGBB Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 9707395 DIEJOUXWMFTEBQ-UHFFFAOYSA-N 436.449 3.403 5 40 IGBB C[C@H](C(=O)NCc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222883430 WRHJGVZYUXRWCP-OAHLLOKOSA-N 427.482 3.219 5 40 IGBB COc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)cc1 8660879 GPNYCXPDHUAUSS-LLVKDONJSA-N 434.246 3.358 5 40 IGBB CCc1cc2c(=O)n(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cnc2s1 12522538 XNDARUHTSPJOMK-UHFFFAOYSA-N 430.489 3.259 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)c(F)c1 12597118 NHHKRQMIQMSYGU-LBPRGKRZSA-N 427.429 3.067 5 40 IGBB COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269588 LTYWSAHFUGJCEU-UHFFFAOYSA-N 442.497 3.499 5 40 IGBB CN1C(=O)c2ccc(N3C(=O)c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4C3=O)cc2C1=O 850639 PWEDMINGTFQEHA-UHFFFAOYSA-N 443.371 3.414 5 40 IGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)nn1 9787090 AWJMFOADFCWARP-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 15987397 IOOAFZCJSSRLCE-NMLBUPMWSA-N 446.463 3.089 5 40 IGBB O=C(c1ccccc1)N1CCN(c2ccc(I)cc2[N+](=O)[O-])CC1 32927105 TYISCAJCWSHHPJ-UHFFFAOYSA-N 437.237 3.162 5 40 IGBB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408652325 CGPAMMQWHZEWSR-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O 408917973 DJSGSOSIQDXXJZ-VIZOYTHASA-N 431.382 3.454 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1 409140418 DLPBKLXUCRWPBP-UHFFFAOYSA-N 444.429 3.218 5 40 IGBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 8683171 UZIHABIJZKNLSJ-UHFFFAOYSA-N 435.484 3.368 5 40 IGBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1OC 9328551 QZSMVDCLNGUCCR-UHFFFAOYSA-N 443.485 3.447 5 40 IGBB COc1ccc(C(=O)NC[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)cc1[N+](=O)[O-] 72311522 XEYDOCHTGUOCIF-ZDUSSCGKSA-N 428.363 3.083 5 40 IGBB O=c1c([N+](=O)[O-])c(N(CCN2CCCC2)Cc2ccc(Cl)cc2)nc2ccccn12 84606510 LLUHIWHBWKGKMJ-UHFFFAOYSA-N 427.892 3.359 5 40 IGBB CCOc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222533253 IIIUCMWRELCLED-SFHVURJKSA-N 435.502 3.485 5 40 IGBB Cc1c(NS(=O)(=O)c2ccc(O[C@@H](C)C(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] 408597663 VRTPTABIWKTVKB-HNNXBMFYSA-N 435.502 3.244 5 40 IGBB Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)cc1[N+](=O)[O-] 10186595 LYSQRYWXLLNFNT-UHFFFAOYSA-N 432.484 3.364 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1[N+](=O)[O-] 22028517 RNDRQWJVVHXDBX-INIZCTEOSA-N 425.441 3.055 5 40 IGBB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223426393 ZBJZDMUWJUQDNM-KRWDZBQOSA-N 427.501 3.480 5 40 IGBB CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3223020 OUHCHGXHBHLEPM-KRWDZBQOSA-N 442.399 3.171 5 40 IGBB Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cccc1[N+](=O)[O-] 17098004 YSELILRUAAXFKF-VIFPVBQESA-N 432.527 3.315 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408670548 RCQQMUAGFOLEMW-AWEZNQCLSA-N 445.859 3.400 5 40 IGBB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 12446609 YQARLJLCTQWIJJ-UHFFFAOYSA-N 448.395 3.184 5 40 IGBB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCO4)c12 13002641 OVEUCERVWFYGQS-UHFFFAOYSA-N 435.396 3.468 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccccc2OC)n1 102773960 ARQCTSGZTDGSCV-BSLALVQMSA-N 428.489 3.328 5 40 IGBB COc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1 108283420 FQRAYAUETWTPIJ-XBXARRHUSA-N 429.816 3.383 5 40 IGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225350530 SBUTVKHMULZPHI-DLBZAZTESA-N 427.501 3.478 5 40 IGBB CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 408669645 XVNDRWKYPQHHIV-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C 409333748 VNCGSSZERYGJJZ-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB COc1cccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 13039980 MXFTUOLOEZZALZ-UHFFFAOYSA-N 438.406 3.383 5 40 IGBB CC1(C)OC(=O)C2(Cc3c(ccc([N+](=O)[O-])c3N3CCCCC3)N3CCCC[C@@H]32)C(=O)O1 8738345 OGIPQENSAODRFJ-GOSISDBHSA-N 443.500 3.323 5 40 IGBB O=C(CNS(=O)(=O)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 10042196 QXXBNFLRYDTUJS-UHFFFAOYSA-N 442.449 3.409 5 40 IGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1C 12756670 ODIVIHJFSGYOGX-UHFFFAOYSA-N 443.525 3.457 5 40 IGBB CCOc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)O[C@H](C)C2 18238385 ZWEVSLYNQNDOIR-CQSZACIVSA-N 427.457 3.406 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787545 QTCJTFJHDBCCID-UHFFFAOYSA-N 431.317 3.018 5 40 IGBB CCOc1ccccc1NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533101 TVESEMKTYUPBAO-KRWDZBQOSA-N 435.502 3.485 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)n1 2312364 LTXXBLTZTFOMAX-UHFFFAOYSA-N 427.442 3.055 5 40 IGBB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2660887 RBLJTWDNXUWJEL-UHFFFAOYSA-N 449.448 3.484 5 40 IGBB CCN(CC)CCCN(CC(=O)N(C)Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1 6511130 JHVXSCSWKNVFQZ-UHFFFAOYSA-N 440.544 3.428 5 40 IGBB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 31778184 GLIOYFWMSBVBIS-IBGZPJMESA-N 431.876 3.229 5 40 IGBB CCCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 408625340 SBYZJHZXAYCALY-UHFFFAOYSA-N 441.893 3.344 5 40 IGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 409232257 NMHMFQKZAQNRFS-LICLKQGHSA-N 428.832 3.342 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 8790480 YTONEQLRUHBJSV-UHFFFAOYSA-N 434.499 3.487 5 40 IGBB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(F)cc23)c([N+](=O)[O-])c1 12487759 RURUDRJRALBKLC-UHFFFAOYSA-N 428.405 3.293 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 59503319 JZZUZHSAIMFSJS-CAZKKTPXSA-N 441.399 3.380 5 40 IGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 95467611 DNWBGKPRMMFMNQ-ZHRRBRCNSA-N 445.541 3.459 5 40 IGBB COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 408566222 FCIJVWMXHWVGCL-SFHVURJKSA-N 428.470 3.481 5 40 IGBB CCCc1nc(S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408633079 VSNUTMOEQFJYSZ-POHAHGRESA-N 429.252 3.351 5 40 IGBB CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 9090458 YGBSZBCWOIIVII-CPUCHLNUSA-N 443.403 3.493 5 40 IGBB Cc1cccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C 22028663 WLAJDMGWVCIMJO-CVEARBPZSA-N 425.441 3.135 5 40 IGBB COc1ccccc1[C@H](C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224331773 CJPRFECIZJKDMT-INIZCTEOSA-N 449.529 3.335 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998278 UOXMVILBGZUVJV-UHFFFAOYSA-N 430.461 3.323 5 40 IGBB CS(=O)(=O)c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] 58005109 WRXSLUQYOJSHBZ-UHFFFAOYSA-N 444.435 3.129 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 408603756 GYGOBQCDXMSGGN-UHFFFAOYSA-N 447.513 3.341 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 13598727 FSIMUIITLVUBGL-UGTOYMOASA-N 449.500 3.033 5 40 IGBB COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 95459434 QBTFFARJIVSUGD-INIZCTEOSA-N 425.551 3.268 5 40 IGBB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538037 RBJFYEUEFJZVSS-KRWDZBQOSA-N 439.921 3.418 5 40 IGBB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 225007853 BFQZOPGFRFEJSM-QGZVFWFLSA-N 441.893 3.440 5 40 IGBB O=C1C[C@]2(CON=C2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 1313377 NEYQMIFWTGXDQM-GOSISDBHSA-N 430.214 3.042 5 40 IGBB CN(CC(=O)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 9461979 FKHGQVAWTMATCA-UHFFFAOYSA-N 435.355 3.102 5 40 IGBB COc1cccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)c1 13083836 AWJSXFWLGCPDPC-OAHLLOKOSA-N 444.469 3.222 5 40 IGBB COc1ccc([C@H]2CCCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1 32744730 YTGQBGUZKWPHCK-LJQANCHMSA-N 441.484 3.426 5 40 IGBB CCC[N+]12[C@@H](O)[C@@H](CC)[C@@H]3C[C@H]1[C@H]1N(C)c4ccc(Br)cc4[C@]14C[C@H]2[C@@H]3[C@H]4O 104205443 WVWGVZDBDCIGAJ-DWLMKECWSA-N 448.425 3.242 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O 222370500 FOJPBDDWHJMADT-UHFFFAOYSA-N 439.534 3.156 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cc(Cl)ccc1Cl 9493930 HDQQSGXDRSOCSM-UHFFFAOYSA-N 428.228 3.101 5 40 IGBB CCn1cc(-c2ccnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)c(C)n1 17095807 VNGZTBRQXMUYJA-UHFFFAOYSA-N 428.474 3.316 5 40 IGBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 20789748 CADMMJLJWKRANI-JTQLQIEISA-N 440.239 3.202 5 40 IGBB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(=O)O 42783159 JHWMQXSEWGOPNW-JQWIXIFHSA-N 431.239 3.199 5 40 IGBB Cc1cccc2c1N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 512306657 RDDJETHPUYDBTQ-SFHVURJKSA-N 443.525 3.283 5 40 IGBB Cc1ccc(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1[N+](=O)[O-] 11765915 WIYBTZZIKMTCJB-UHFFFAOYSA-N 449.393 3.215 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 12561528 ZGWZZIMLRDWVFB-ZDUSSCGKSA-N 432.427 3.033 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 36331976 XTYQJDDJSCXYNN-NYQDVAGCSA-N 428.448 3.366 5 40 IGBB CC(=O)NCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](C)C(=O)OC(C)(C)C 96004671 HGDVNVWKMPEULR-AWEZNQCLSA-N 445.472 3.163 5 40 IGBB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544633 WWIANQSDKZVHQE-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C 222558853 XLXYAYOHLXCUKA-UHFFFAOYSA-N 447.513 3.268 5 40 IGBB CC(C)NC(=O)CN1CCN(C(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1 253417163 IHUOMGVUDACICF-UHFFFAOYSA-N 442.541 3.028 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 9364660 JCKZRPKPAGGLQC-UHFFFAOYSA-N 445.482 3.438 5 40 IGBB Cc1ccccc1C(=O)N1CCC(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 12645166 JMGVLBYGLAXWHS-UHFFFAOYSA-N 439.468 3.246 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 13845196 QKXAOLDQXBHLSS-NSHDSACASA-N 427.866 3.050 5 40 IGBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(c4ccccc4)C3=O)[C@@H]2C1 16956649 DNKZQXNZKRSEHO-FAHJTYSBSA-N 434.452 3.230 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23382221 PTPWDUHSXCPFEJ-LIRRHRJNSA-N 435.440 3.040 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 59503315 UJFBUFVFZRRQHV-CAZKKTPXSA-N 441.399 3.380 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 12561791 MRSVQTXFVZGBKG-CYBMUJFWSA-N 432.427 3.033 5 40 IGBB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 138858750 QDQZJGXAAXBFHW-UHFFFAOYSA-N 429.429 3.284 5 40 IGBB C[C@H](C(=O)Nc1cccc(Br)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400469 ONSYDBWCLPYFMD-LLVKDONJSA-N 442.291 3.151 5 40 IGBB COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(C)=O)N2C=Cc4ccccc4[C@@H]32)c(C)cc1[N+](=O)[O-] 247898287 DPMUTYNODWNDAB-MLNNCEHLSA-N 447.447 3.016 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCC(C)CC1 408705597 JHHBVDBDCIEVFY-UHFFFAOYSA-N 433.486 3.276 5 40 IGBB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C 3401071 SUQFBVCLGCISSB-CYBMUJFWSA-N 434.445 3.277 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12643039 XYHOWVDSFYQATH-UHFFFAOYSA-N 436.350 3.254 5 40 IGBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O 13591420 GTAWYQXMOVFEOI-GCJKJVERSA-N 440.431 3.164 5 40 IGBB CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1 32640706 FJHDNHFMBNRDHE-OALUTQOASA-N 445.522 3.072 5 40 IGBB CCN(c1ccc(I)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024429 DHSGZOOZJDPZDF-UHFFFAOYSA-N 432.239 3.415 5 40 IGBB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408660697 BZJHEQULZLYHMW-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)nc12 9404080 JPCZJENCCLOBOV-UHFFFAOYSA-N 426.410 3.119 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224661202 BRVMCJJSHYSYIO-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 12514748 NKXFEQFJUUVFOL-CHWSQXEVSA-N 437.440 3.149 5 40 IGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] 22907603 ZSJUETKXLNTFAU-FQEVSTJZSA-N 434.452 3.042 5 40 IGBB COC(=O)c1cc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc([N+](=O)[O-])c1 24945411 UIEVPOPSNSEGSS-UHFFFAOYSA-N 437.202 3.167 5 40 IGBB Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 33522464 SNJZDLMWUSLSDV-UHFFFAOYSA-N 437.475 3.245 5 40 IGBB O=C(NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408660802 WXDGKOOFBHINNP-LIKPIUCQSA-N 439.427 3.132 5 40 IGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NC[C@H]1CCCO1 9284879 DVBXPMKJYAEZNW-GOSISDBHSA-N 439.497 3.230 5 40 IGBB CC[C@@H](C(=O)NC(C)(C)Cc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224654908 KUKJTUGBYZEHLJ-IBGZPJMESA-N 433.530 3.277 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 9117688 NPHYXUDWEPCUER-UHFFFAOYSA-N 431.514 3.381 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 9907980 XMJILVLNFVAKOE-UHFFFAOYSA-N 446.891 3.429 5 40 IGBB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 11614675 NNPUHIYISHVTPW-SFHVURJKSA-N 427.844 3.461 5 40 IGBB Cc1ccc2nc3nc(NC4CCCC4)c(C(=O)NCc4cccnc4)cc3c(=O)n2c1 13519057 PCKKBAXWGZPJSG-UHFFFAOYSA-N 428.496 3.231 5 40 IGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] 20528471 COYVTHGFKMNLLZ-UHFFFAOYSA-N 426.179 3.292 5 40 IGBB COC(=O)c1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)sc2c1CCN(C)C2 408574756 KXDULFVWTCLYTO-UHFFFAOYSA-N 435.527 3.303 5 40 IGBB Cc1ccccc1OCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9064500 AVVSIJZIIHJSGB-UHFFFAOYSA-N 448.932 3.159 5 40 IGBB CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1Cl 15128861 JEQWIBBAENBMDR-KRWDZBQOSA-N 426.926 3.391 5 40 IGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 17989037 NJITUHXOJOAPTQ-IRXDYDNUSA-N 434.404 3.090 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220044867 PFNHXAPIFXNXEF-UHFFFAOYSA-N 447.391 3.027 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 220386309 NASXNVHZEWLOOD-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408686598 SCAHEMXUZBEZOE-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB O=C1C[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N2NC=NC2=N1 409372053 XWSCZFFHGHZNKC-HNNXBMFYSA-N 444.245 3.112 5 40 IGBB COc1ccc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)cc1OC 8586950 GZNYDLTXCGEIMQ-UHFFFAOYSA-N 425.445 3.081 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NC1CCN(Cc2ccccc2)CC1 9612788 AAQVDXUPGOMRIO-UHFFFAOYSA-N 444.557 3.456 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1OCC(F)(F)F 12522674 NCZJLRHKMNTAJQ-UHFFFAOYSA-N 438.406 3.297 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OC)c(Nc2ncnc3ccc([N+](=O)[O-])cc23)c1 6144194 BLFLJDWUCKGALR-UHFFFAOYSA-N 431.474 3.321 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21 9461169 NGRVVTWGWQTRJM-IYWMVGAKSA-N 446.463 3.089 5 40 IGBB CN(C)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 11615411 GCZABSYAXSQLMG-LJQANCHMSA-N 425.416 3.337 5 40 IGBB COc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 12566180 RRDBBHYWZINANU-UHFFFAOYSA-N 433.726 3.466 5 40 IGBB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(NC2CC2)n1 25570597 WJBXNTLPSJEIDI-ZDUSSCGKSA-N 425.474 3.176 5 40 IGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2cccn2)nc1 32795102 YRUFUJMOTLFFNV-UHFFFAOYSA-N 449.393 3.106 5 40 IGBB CCOc1cccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222541688 FIUVMLSOCBZUGF-SFHVURJKSA-N 435.502 3.485 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224988900 VJJBJZKTSPJBGC-UHFFFAOYSA-N 440.499 3.084 5 40 IGBB CCn1cc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)c2ccc(C)nc21 9587733 ACOLRUVBIVQRBW-UHFFFAOYSA-N 444.831 3.082 5 40 IGBB COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 10187228 ASQDRFCUWNNNEP-LBPRGKRZSA-N 445.906 3.110 5 40 IGBB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 11533200 FNARJAJMCAMXMV-MRXNPFEDSA-N 425.441 3.000 5 40 IGBB CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 29303941 KBYLVZABKJUCEC-MRXNPFEDSA-N 430.486 3.139 5 40 IGBB Cc1nc([C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c2ccccc2)n[nH]1 69530822 NMLRJNCVCWHTSX-IBGZPJMESA-N 442.501 3.007 5 40 IGBB CCOc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)N(C)C2=S)cc1 409030899 FQIZVMWTGUMYOH-YBEGLDIGSA-N 429.454 3.312 5 40 IGBB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902414 BQVQGOXFDBBKNA-UHFFFAOYSA-N 436.262 3.455 5 40 IGBB Nc1ncnc(NCCOC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1[N+](=O)[O-] 72238790 UCKGLUFWJDABNI-UHFFFAOYSA-N 430.424 3.451 5 40 IGBB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544006 KWRNJVXGJCGWQG-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[S@](=O)C3)cc1 9413751 IIHYMUWRXGRVRF-SSEXGKCCSA-N 446.872 3.457 5 40 IGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17095800 VQNJFCZFZJWVDF-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)n1 1588365 TYHCNOWIJAMOPT-UHFFFAOYSA-N 430.384 3.248 5 40 IGBB COc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 3362430 RODYIIJQJZZJKU-UHFFFAOYSA-N 430.200 3.109 5 40 IGBB Cc1ccc(NS(=O)(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 15206623 BUXFBUILTWMCGA-UHFFFAOYSA-N 448.545 3.147 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 30902145 VDUCHJADHZJDLG-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 220387454 DMESCEBFKPPBEQ-NSHDSACASA-N 429.857 3.489 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408570731 LZMRNCTXABHSKX-GFDJHTQQSA-N 446.301 3.416 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408677315 BPWKWZAWGJMGKB-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 12758868 YEQYWPMFTFQFCF-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12887719 RCSYVFJLWDDDJB-UHFFFAOYSA-N 429.498 3.123 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102529503 LMFYXGMENIJJRZ-WCAYHLDQSA-N 429.432 3.405 5 40 IGBB Cc1cccc(CCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393628 GTHZCOXOVQFHAM-QGZVFWFLSA-N 433.530 3.115 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] 408670483 QIWQSWSMWLZXFS-CQSZACIVSA-N 445.859 3.400 5 40 IGBB CC(=O)Nc1cccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C 25600807 KFXIYKLGIXKEEN-UHFFFAOYSA-N 426.458 3.394 5 40 IGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C)cc1 34688203 IQLGOGHLJWYWQE-WEVVVXLNSA-N 439.424 3.329 5 40 IGBB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223280766 AJQMNYHLTCJHPT-RTWAWAEBSA-N 436.541 3.315 5 40 IGBB CS(=O)(=O)N(CCCC(=O)N[C@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 260503993 BBENDTICDCPWEI-FQEVSTJZSA-N 431.514 3.335 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] 408640243 IELSTKFRUFQACO-INIZCTEOSA-N 425.441 3.460 5 40 IGBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3362912 VQLIUORTNIOPED-UHFFFAOYSA-N 441.223 3.241 5 40 IGBB CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N=c1[nH]c2ccccc2[nH]1 9224066 QBYBVCRQUZXHPT-MRXNPFEDSA-N 447.904 3.037 5 40 IGBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 11028999 MEPCYYQVDJPYHP-UHFFFAOYSA-N 440.239 3.156 5 40 IGBB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 16693026 BKTHPXAFJJSOCO-UHFFFAOYSA-N 443.456 3.259 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)Nc1cccc([N+](=O)[O-])c1 25017201 WLVRABGXACBSFP-MRXNPFEDSA-N 433.420 3.283 5 40 IGBB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224388236 YJGLCNOVQGQQJC-SFHVURJKSA-N 447.463 3.065 5 40 IGBB COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c([N+](=O)[O-])cc1OC 3449734 YARLUQIQJUQISS-OAHLLOKOSA-N 446.456 3.249 5 40 IGBB Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-] 3450071 RHUPWCBHNZTQCT-UHFFFAOYSA-N 447.447 3.482 5 40 IGBB Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 9352297 PNBNQCCNJWDEQT-UHFFFAOYSA-N 429.248 3.238 5 40 IGBB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9584831 MWKMOUTUWQFELP-UHFFFAOYSA-N 443.953 3.345 5 40 IGBB CCc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 14269251 JTOMDPIFSGNDKM-UHFFFAOYSA-N 442.526 3.299 5 40 IGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223596698 ZPEWUAPMMSAHIW-WOJBJXKFSA-N 440.481 3.223 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409356444 GOFBYRCALYGQAP-LZYBPNLTSA-N 429.366 3.128 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 13083800 HVVRZAZPDWSAIJ-AWEZNQCLSA-N 432.433 3.352 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Br)cc1 20101805 CWMNFXAWTMULPG-UHFFFAOYSA-N 449.257 3.234 5 40 IGBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3Br)nn12 26532220 REMKKFMANFPQPG-NTEUORMPSA-N 429.255 3.036 5 40 IGBB O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 56896052 BZZBTOSAOKMWAB-QHCPKHFHSA-N 431.496 3.283 5 40 IGBB O=C(C1=NO[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12)c1ccc([N+](=O)[O-])cc1 100354917 VDJYROQHBGVPDA-CZUORRHYSA-N 434.191 3.029 5 40 IGBB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 408640623 BAZRDQANWMMBKP-CRAIPNDOSA-N 426.425 3.161 5 40 IGBB COc1ccc(Cc2nnc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])s2)cc1 13941858 GINVZBRCAZJSPP-UHFFFAOYSA-N 430.442 3.315 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCc3ccccc3C2)cc1 22906639 RXZFBHDIVOKWTI-JOCHJYFZSA-N 438.509 3.068 5 40 IGBB COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 222362240 OHVVLAIFBFNPTF-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223374925 YAJZVZKOVREQFS-FQEVSTJZSA-N 445.541 3.390 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc2ccccc12 408671348 XXRNOQLSBFBOMV-INIZCTEOSA-N 433.420 3.283 5 40 IGBB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409348818 QIUJKRMLKFFFGF-MFOYZWKCSA-N 443.437 3.287 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(F)c(F)c1 57470953 CXUSLBYRDYQYNN-UHFFFAOYSA-N 427.411 3.182 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)o2)cc1 408639767 YZZCBESCLDQXNY-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)cc1 224457038 NCJXGCSYFDVWSJ-KRWDZBQOSA-N 427.501 3.335 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCC(=O)NC(C)C)c([N+](=O)[O-])c1 40067548 KBDBSXCLLDXCDJ-UHFFFAOYSA-N 434.518 3.137 5 40 IGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1cccc(Cl)c1 14167722 CWBMQDQPNAJVBV-UHFFFAOYSA-N 435.849 3.159 5 40 IGBB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])o2)c1 17227460 IHDXRTSTUVYMNT-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB COc1cc(OC)cc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 3211034 SOCGXISDHUXUJQ-UHFFFAOYSA-N 449.466 3.154 5 40 IGBB Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCCOc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 23143580 OMTQCORXNZIJIV-UHFFFAOYSA-N 449.363 3.188 5 40 IGBB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4cc(F)ccc4[N+](=O)[O-])CC3)cccc2c1 40153497 SIIQOQMKDQJLBA-UHFFFAOYSA-N 444.488 3.097 5 40 IGBB O=C(O)c1cccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 3146598 ZCFMGCXPTOYCQQ-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9190652 APVNSOFPMZANLO-DEOSSOPVSA-N 446.415 3.331 5 40 IGBB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccc([N+](=O)[O-])cc4)nc32)cc1 9738921 MZUUVNSZQUWGHX-UHFFFAOYSA-N 432.440 3.080 5 40 IGBB CC[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(C)cc1 12606011 WXKATYFDXDWDQK-IBGZPJMESA-N 432.546 3.403 5 40 IGBB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 15882783 GXFRLKBSNFLXNU-UHFFFAOYSA-N 426.454 3.012 5 40 IGBB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23078880 QGQUXQWKEYNILQ-UHFFFAOYSA-N 433.848 3.189 5 40 IGBB Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 138527398 DIOGHQQYOCEPGX-INIZCTEOSA-N 425.441 3.055 5 40 IGBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cc(Cl)ccc4[N+](=O)[O-])cnc32)cc1C 10252073 RUCRYGQBOCBRLO-UHFFFAOYSA-N 438.831 3.145 5 40 IGBB O=C(CCSCc1cn2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12520481 SYFUASVERUAZHJ-UHFFFAOYSA-N 425.514 3.215 5 40 IGBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 14291344 APDKQWXDCHKSMB-UHFFFAOYSA-N 440.441 3.339 5 40 IGBB C[C@@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 23064159 BLKCFUAYHPLJPJ-CYBMUJFWSA-N 429.404 3.040 5 40 IGBB O=c1c(Cl)c(Cl)cnn1-c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 24222783 KHRYFZRCMOUAHH-UHFFFAOYSA-N 441.252 3.248 5 40 IGBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(C)c5)c(=O)c4cc3c2=O)n1 40398934 HAVSWTDVOHVASC-UHFFFAOYSA-N 430.493 3.228 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220362684 MHQKDYJEJDDTSO-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 408673357 RKJYRMBEHCXPJL-UHFFFAOYSA-N 445.384 3.047 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 408683977 MQWKOMAMDGISNX-UHFFFAOYSA-N 447.378 3.270 5 40 IGBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409070044 KJODSWLYJPXNIL-VCBXAZPMSA-N 432.410 3.461 5 40 IGBB O=C(CSc1nnc(Cc2ccc(Cl)cc2)c(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 12348475 ZTUSEFCUULOYMH-UHFFFAOYSA-N 431.861 3.048 5 40 IGBB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14273135 LWOKEZCPMLITDD-UHFFFAOYSA-N 446.891 3.174 5 40 IGBB CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 18217954 GRSMBQRPAXEJKJ-UHFFFAOYSA-N 429.502 3.122 5 40 IGBB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 100627717 PZBNVZGBFNOKDU-GCJKJVERSA-N 449.573 3.423 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223720146 VOAZXTDGVMMTNU-CQSZACIVSA-N 449.891 3.189 5 40 IGBB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224690143 DPLCEDAHLHIILK-KRWDZBQOSA-N 443.591 3.240 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 408650691 MRHBMEJLTLYAHF-GXTWGEPZSA-N 446.843 3.424 5 40 IGBB O=C1N(c2ccc([N+](=O)[O-])cc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 8828033 OSOBTAOJDNLXNR-HOTGVXAUSA-N 441.387 3.226 5 40 IGBB Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12520871 ALZJFQNZSYIXEV-UHFFFAOYSA-N 425.879 3.329 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 13779174 GZEQEFZTLJYHLO-VSKRKVRLSA-N 445.431 3.347 5 40 IGBB CC[C@@H](C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16752252 MALLSJZYWQHKAK-QGZVFWFLSA-N 429.524 3.381 5 40 IGBB CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 32932682 QAJHMLIBYVKKGB-GOSISDBHSA-N 438.594 3.184 5 40 IGBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72280434 HEYLXNXDYLDVDF-UHFFFAOYSA-N 443.891 3.253 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 9331629 FSIMUIITLVUBGL-URFJDIBFSA-N 449.500 3.033 5 40 IGBB CC(C)CCn1cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1 13102746 VXPNYJJWNZSOEU-UHFFFAOYSA-N 447.495 3.411 5 40 IGBB COc1cc(CCNS(=O)(=O)c2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC 15362664 RQGCNPSTSUPWBF-UHFFFAOYSA-N 435.285 3.440 5 40 IGBB COc1ccccc1CC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 72054288 PTPHBHKQXBZYJO-UHFFFAOYSA-N 431.876 3.220 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccc2F)CC1 9714282 PGUGDBJFPACKCS-UHFFFAOYSA-N 448.520 3.235 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@@H]1CCCC[C@H]1C 58907972 HXQXBJMNWVUBLY-RHSMWYFYSA-N 430.461 3.031 5 40 IGBB NS(=O)(=O)c1ccc(NCCSc2ccc(Br)cc2)c([N+](=O)[O-])c1 9883823 CWDSVKCFOZSVMZ-UHFFFAOYSA-N 432.321 3.209 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 10220700 AQLRCUBUXITEEJ-UHFFFAOYSA-N 445.453 3.269 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 10812257 HBYCPTVLDSIJPK-CYBMUJFWSA-N 429.907 3.492 5 40 IGBB CC(C)OCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 11692081 UREAHIYDZXVJOP-UHFFFAOYSA-N 429.480 3.422 5 40 IGBB O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 48362292 FBKXOGISSINOMQ-HXUWFJFHSA-N 433.468 3.194 5 40 IGBB Cn1cc(O)c(=O)cc1CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 84314098 IGFSVAFGPDXOMM-UHFFFAOYSA-N 429.816 3.375 5 40 IGBB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518014 ZJMKFGAGAWAMAB-QGZVFWFLSA-N 425.894 3.109 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CS(=O)(=O)C3)c(C)c1 3009687 RYKWOUVLSAPLCK-UHFFFAOYSA-N 440.481 3.386 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O 10434447 VFANFYPHWXBYFW-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB Cc1cc(=O)c(C(=O)Nc2ccc(Br)cc2)nn1-c1ccccc1[N+](=O)[O-] 21887305 ZULNHMZVQIMCNJ-UHFFFAOYSA-N 429.230 3.464 5 40 IGBB CC(=O)N1CCC[C@H](C(=O)O[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)C1 29895797 RJRHOVKOSFUZDG-RXVVDRJESA-N 439.468 3.385 5 40 IGBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@H](C)C2 845108 JUGGLJBRVKDULD-QMMMGPOBSA-N 426.882 3.365 5 40 IGBB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 2683787 LRBFHLHUNHPJNM-HXUWFJFHSA-N 425.441 3.325 5 40 IGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 9430435 ZIPJFMVKSGJOAC-DYESRHJHSA-N 440.843 3.043 5 40 IGBB COc1cc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])ccn1 12554527 YSFZMLVWAJDWEA-UHFFFAOYSA-N 434.518 3.468 5 40 IGBB O=C(COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc([N+](=O)[O-])c1 13072508 URTAIFBCNRRZDW-UHFFFAOYSA-N 445.859 3.282 5 40 IGBB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 32903354 IMBGFUIXKJBXMA-UHFFFAOYSA-N 431.399 3.118 5 40 IGBB COc1ccc(Cl)cc1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 35377671 FNWZHYYMHMSIAQ-UHFFFAOYSA-N 427.866 3.021 5 40 IGBB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260503957 AOAOEFAPJYTSRD-RDTXWAMCSA-N 437.493 3.464 5 40 IGBB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)Nc1ccc(F)cc1[N+](=O)[O-] 9982137 RNVBHMOMUSNAEV-UHFFFAOYSA-N 448.410 3.168 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1F 108931458 KTUAMFPOSDWIKE-GIDUJCDVSA-N 435.364 3.254 5 40 IGBB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220672862 NMCTUISKBVBHTI-IBGZPJMESA-N 435.502 3.485 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C 408556645 IWTVMNANANUZGW-MRXNPFEDSA-N 447.513 3.341 5 40 IGBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCC1 408696664 DFIMHABEPIVVHB-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 409110038 PZZVAHXTKCYRTJ-UHFFFAOYSA-N 429.454 3.161 5 40 IGBB CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cc1C 2656762 PRKDCKPEZBNMDP-UHFFFAOYSA-N 448.486 3.068 5 40 IGBB CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 9426758 OPOFVIVAYAVKIS-UHFFFAOYSA-N 439.497 3.442 5 40 IGBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 32747510 RBOYKFXQYDOZKY-CYBMUJFWSA-N 425.363 3.372 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 43730793 SVKPQABTYLBYBG-JKHABCDFSA-N 428.448 3.366 5 40 IGBB CCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 101124759 SZIQHFFVGNKFMJ-UHFFFAOYSA-N 429.524 3.476 5 40 IGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCC1=CCCCC1 223527284 PKFVANAIFJBCMW-UHFFFAOYSA-N 429.498 3.407 5 40 IGBB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 2650948 QSMZBLOCXLWEBU-UHFFFAOYSA-N 425.466 3.424 5 40 IGBB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Br 15913533 UIVZNIJPYCPGNP-UHFFFAOYSA-N 435.263 3.268 5 40 IGBB CC[C@@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 107757795 CKOWCHZPYYFXIA-DYTQJMLRSA-N 443.412 3.245 5 40 IGBB Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 409390910 MEJHQESFBGIOEO-UHFFFAOYSA-N 433.486 3.014 5 40 IGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 2310219 XAHSHQKVBHSUKN-UHFFFAOYSA-N 445.479 3.337 5 40 IGBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)c(S(=O)(=O)N2CCCCC2)c1 3301107 ZCBRHQOMOSQAQM-UHFFFAOYSA-N 425.488 3.092 5 40 IGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 13059949 LPHABZBFYHKXQQ-UHFFFAOYSA-N 448.457 3.320 5 40 IGBB C[C@@H](OC(=O)c1cnn2c(-c3ccccc3)ccnc12)C(=O)Nc1ccccc1[N+](=O)[O-] 32922093 DNXAHIMKGKZKHO-CQSZACIVSA-N 431.408 3.489 5 40 IGBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17095790 NUHKGICVFUGZPF-UHFFFAOYSA-N 428.470 3.410 5 40 IGBB CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408665144 URGMNXDGVARLIM-UHFFFAOYSA-N 427.413 3.006 5 40 IGBB CN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409195544 WHNPIFVUOYLIFK-OQLLNIDSSA-N 432.230 3.459 5 40 IGBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 9793678 DLHVNEIBNNTULF-UHFFFAOYSA-N 431.499 3.485 5 40 IGBB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 17095897 RWIPWINRTWJHIL-UHFFFAOYSA-N 428.514 3.483 5 40 IGBB Cc1cc(NCCS(=O)(=O)N2CCc3ccccc32)nc(-c2cccc([N+](=O)[O-])c2)n1 48300574 TXLYHPDLVRPNPI-UHFFFAOYSA-N 439.497 3.165 5 40 IGBB O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 409375454 KXSOZYZVOVETNK-HNNXBMFYSA-N 444.245 3.112 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(Cn3cccn3)cc2)c([N+](=O)[O-])c1 12526944 ORJCAFBGARNGKE-UHFFFAOYSA-N 443.529 3.482 5 40 IGBB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 12781418 RHLNTDJDOOYNPP-UHFFFAOYSA-N 435.477 3.480 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(C)(=O)=O 409130583 IFBSJOKEVCUFTR-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB O=C(OCc1nc2ccccc2[n+]([O-])c1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 9307508 KKNSIXWYGAZWKF-UHFFFAOYSA-N 429.388 3.364 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 12606244 MIBRKDJCODDOGF-UHFFFAOYSA-N 430.892 3.189 5 40 IGBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 40718044 ALTFVKVZGHWJQS-UHFFFAOYSA-N 426.473 3.166 5 40 IGBB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223881875 INDUYIIBGCQTCA-HNNXBMFYSA-N 447.463 3.065 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c([N+](=O)[O-])c1 409149133 XWVBAGOUOJMCKV-UHFFFAOYSA-N 444.429 3.038 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Br)cc1)S(C)(=O)=O 10360797 HBRKVJUYAVQEKE-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB O=C(O)Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20153220 ZOFXLGYGINLKPJ-UHFFFAOYSA-N 442.497 3.339 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 30847485 AKCSRAGBYURBRP-JXMROGBWSA-N 431.470 3.040 5 40 IGBB O=C(c1ccc(I)c([N+](=O)[O-])c1)N1CCc2ccc([N+](=O)[O-])cc21 58313921 QZJBVNMPCSFKJT-UHFFFAOYSA-N 439.165 3.311 5 40 IGBB O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] 100433759 FFTZODLAHOORCU-ROUUACIJSA-N 429.521 3.161 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1Br)S(C)(=O)=O 409265571 VQDWTFKDMNSBAH-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB CCC(=O)N1N=C(c2cccc(NS(=O)(=O)CC)c2)C[C@H]1c1cccc([N+](=O)[O-])c1 9495075 CKBJVYGDRFVWBO-IBGZPJMESA-N 430.486 3.444 5 40 IGBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21129671 FQOQHJRKENRZNZ-RYUDHWBXSA-N 449.822 3.311 5 40 IGBB Cc1nc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 89708967 BXFZPKZMOZRHRL-OAHLLOKOSA-N 447.561 3.469 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NCC(C)C)cc1 408590472 GZFRDNFPXWCTJV-HNNXBMFYSA-N 435.502 3.244 5 40 IGBB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 15081871 VDNSIADMGBZOGP-UHFFFAOYSA-N 447.513 3.260 5 40 IGBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 19643549 CASDRJLTAFEFDS-UHFFFAOYSA-N 445.526 3.253 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 408563231 JVZFFTUBWFUJCQ-QGZVFWFLSA-N 427.310 3.000 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 408641628 CVZGUUOEZMMUMD-PMACEKPBSA-N 449.463 3.319 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 408649488 KYPCDFIPFYTWHS-ZDUSSCGKSA-N 432.816 3.036 5 40 IGBB O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1c1cccc(Cl)c1 409105647 JBVUHAJKFGBPIU-BOPFTXTBSA-N 428.832 3.182 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1F 9720623 SUTWCVAGCYNDMY-OMCISZLKSA-N 445.384 3.138 5 40 IGBB COc1ccc([C@@H](CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])N2CCOCC2)cc1 27670907 KEDRABYZABKPHS-HXUWFJFHSA-N 431.514 3.129 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(Nc2ccn(CCc3ccccn3)n2)c([N+](=O)[O-])c1 70012041 UZJJYKSFYSZNSL-UHFFFAOYSA-N 444.517 3.203 5 40 IGBB CCCCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101101396 LAPVHTKJGUOWBK-QLYXXIJNSA-N 448.479 3.350 5 40 IGBB O=C1NN=C(c2ccc([N+](=O)[O-])cc2)[C@H]1n1nc(-c2ccccc2)c2ccccc2c1=O 102916283 XUWPFLFLMRZOLL-OAQYLSRUSA-N 425.404 3.047 5 40 IGBB CCC[N+]12[C@@H](O)[C@@H](CC)[C@@H]3C[C@@H]1[C@H]1N(C)c4ccc(Br)cc4[C@]14C[C@H]2[C@@H]3[C@H]4O 104205439 WVWGVZDBDCIGAJ-XDYJCRHWSA-N 448.425 3.242 5 40 IGBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408663621 AQNVBGOLNUORSY-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 408689267 YAFPXFUVTUZBCH-RTBURBONSA-N 435.436 3.010 5 40 IGBB CCOC(=O)c1cc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(C(=O)OCC)c1 9440113 UMFGUVDKTXGIAE-UHFFFAOYSA-N 431.397 3.394 5 40 IGBB O=C(NCc1nccn1CCCc1ccccc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 95989287 KIFXKACHSFYBDL-UHFFFAOYSA-N 449.511 3.191 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102084097 SZXYXMSXHZEREB-UFOPBENGSA-N 429.432 3.405 5 40 IGBB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 103137795 GZCQIYIVCKJLCH-QWRGUYRKSA-N 428.363 3.491 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528989 FASDCXDHPXCZBQ-IFXJQAMLSA-N 435.502 3.025 5 40 IGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224963516 LUWQMLFUCSRCRH-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687793 VDBCSNDTDMLGPK-UXHICEINSA-N 447.447 3.176 5 40 IGBB CCOC(=O)c1c(N)n(CCOC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc12 1838740 GPYDKEQFWLPBRI-UHFFFAOYSA-N 449.423 3.109 5 40 IGBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 13750710 OYXBIPVIGMLNOH-QDUHJBTASA-N 440.484 3.274 5 40 IGBB O=C(c1ccco1)N1CCC[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 30609153 UOXYPURCTITRBQ-OAHLLOKOSA-N 446.891 3.042 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)c1 10060091 WERXXQCILSXQBI-IBGZPJMESA-N 436.428 3.131 5 40 IGBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408731890 QLQKZVZSSADAFQ-HXUWFJFHSA-N 441.440 3.373 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])s3)cc2)n1 6156088 XTCFYUHKBHMFAG-XBXARRHUSA-N 445.482 3.207 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 9377791 SFJFFCKFEPEWLQ-UHFFFAOYSA-N 436.453 3.056 5 40 IGBB O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)c1 16526943 OYACOFJXWISPMK-UHFFFAOYSA-N 430.313 3.408 5 40 IGBB COc1cc(C)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC 40134367 HPERXAWMQGBLMT-HNNXBMFYSA-N 429.473 3.248 5 40 IGBB COc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@H]3C2=O)cc1 103618337 ZQUYTOZKARLXOD-IFMALSPDSA-N 442.431 3.386 5 40 IGBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409081822 QQSVFYNRBROYFI-UHFFFAOYSA-N 446.368 3.423 5 40 IGBB CN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409188457 HSPJRUIFSIMGRU-OQLLNIDSSA-N 432.230 3.459 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 409348637 RNKFDFRLSXWJEL-RQZCQDPDSA-N 444.421 3.237 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1 12137674 HYHGVLKATSIOJE-UHFFFAOYSA-N 441.465 3.091 5 40 IGBB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547747 CFIHRGJJOXAYPD-OAHLLOKOSA-N 443.428 3.065 5 40 IGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2cccc(F)c21 508802709 RMSPKACMVDCWJL-INIZCTEOSA-N 447.488 3.114 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 13003676 BLYMXVHEQWEPKY-UHFFFAOYSA-N 433.877 3.318 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3OC)o2)c([N+](=O)[O-])c1 19928438 VANCGVDANAQINB-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 22568461 NRNPPDQXKVUBPV-UHFFFAOYSA-N 433.398 3.124 5 40 IGBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc(Cl)cc3)c12 72332774 QQTUESGFJROHHO-UHFFFAOYSA-N 448.826 3.487 5 40 IGBB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545111 PJWRXRWHOZYPBQ-OAHLLOKOSA-N 441.893 3.440 5 40 IGBB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080956 ILAVDBOHRFOTDB-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1C 408557460 MWXLHRSBQKLZSY-UHFFFAOYSA-N 447.513 3.341 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 9806334 ZBCIQGTYGSVRSZ-IBGZPJMESA-N 431.514 3.103 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](CC(C)C)c1ccccc1)S(C)(=O)=O 38755160 BGJZYUTWLPAMPE-GOSISDBHSA-N 449.529 3.273 5 40 IGBB CCCCOC(=O)c1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1 59497860 HYMHOZBJTNNMID-UHFFFAOYSA-N 448.435 3.054 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 8831725 PHLZLDRESZQTKW-UHFFFAOYSA-N 447.948 3.435 5 40 IGBB Cc1nn(CC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)c1[N+](=O)[O-] 9144546 YHAVCHUTPKYSKW-UHFFFAOYSA-N 434.758 3.262 5 40 IGBB Cc1cc(N2CCC(N(C)CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)nc(C)n1 72308288 TZDCTAJTPPWTQG-UHFFFAOYSA-N 426.521 3.239 5 40 IGBB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 223582282 BUIBMBICXSGYBN-UHFFFAOYSA-N 432.458 3.173 5 40 IGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2264674 XXQKACOVYYRVSM-UHFFFAOYSA-N 443.463 3.108 5 40 IGBB O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 16183243 OHQJZGUTAFDIPH-KEYYUXOJSA-N 443.765 3.352 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2=O)cc1[N+](=O)[O-] 408640245 IELSTKFRUFQACO-MRXNPFEDSA-N 425.441 3.460 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3c(C)cccc3C)CC2=O)cc1[N+](=O)[O-] 408667718 KAPPYKPFWXNVQW-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 3102026 MWPLFTBQANKSQE-HXUWFJFHSA-N 425.441 3.325 5 40 IGBB O=C(O)CCCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 9045595 GETMQRWUSJLDSL-XDJHFCHBSA-N 425.441 3.127 5 40 IGBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 32640699 PTZQTMVSGQGCII-NVXWUHKLSA-N 439.465 3.148 5 40 IGBB CCN(CC)C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 40012944 HOYAHOMWHWLAGI-IBGZPJMESA-N 440.500 3.482 5 40 IGBB O=c1c2cc3c(=O)n(-c4ncn[nH]4)ccc3nc2ccn1-c1cc(Cl)cc(Cl)c1 40398740 JNDBBMDGPYTUDH-UHFFFAOYSA-N 425.235 3.115 5 40 IGBB Cc1nn(-c2ccc(F)cc2F)c(C)c1CC(=O)NCCNc1ccccc1[N+](=O)[O-] 48301941 RPUMGUGMVWJYFG-UHFFFAOYSA-N 429.427 3.446 5 40 IGBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccncc3)C2=O)cc1 102757035 IKDDKLDLWXZRND-PCCBWWKXSA-N 430.420 3.349 5 40 IGBB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220673190 VPWCZRUERNXYKA-SFHVURJKSA-N 435.502 3.485 5 40 IGBB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225364491 CXKVFUFAPRDYIS-FQEVSTJZSA-N 427.501 3.480 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229858307 IOOAFZCJSSRLCE-YRPNKDGESA-N 446.463 3.089 5 40 IGBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])CC2=O)cc1 9631140 GKTBCUIYLJTCLC-KRWDZBQOSA-N 439.468 3.309 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 12590576 GLSZFJVSPZEMPU-AWEZNQCLSA-N 430.892 3.408 5 40 IGBB CN(CC(=O)Nc1ccccc1Br)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12982872 DWZAPOHHQOFHOU-UHFFFAOYSA-N 436.262 3.294 5 40 IGBB Cc1nn(-c2ccccc2)c(OC(=O)C2CC2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976821 LBEZYVIBZYTEFR-UHFFFAOYSA-N 427.438 3.237 5 40 IGBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1occc1CS(=O)(=O)c1ccccc1 23184820 GLNVANUOBQWAAI-UHFFFAOYSA-N 429.454 3.004 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H]1COc2ccccc2O1 89866457 WRXJCVZATJJADZ-OAHLLOKOSA-N 433.486 3.021 5 40 IGBB CCOC(=O)[C@@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100029689 FECBXBOAEJTKAZ-ZWOKBUDYSA-N 431.445 3.458 5 40 IGBB CN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162496 MDFXIAAFEUNZRD-WWGRRREGSA-N 429.376 3.102 5 40 IGBB O=C1N(c2ccc([N+](=O)[O-])cc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 8828035 OSOBTAOJDNLXNR-CVEARBPZSA-N 441.387 3.226 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)CC1 36329818 QAYSRMUOFRDYMN-UHFFFAOYSA-N 445.419 3.342 5 40 IGBB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)N1CCCC1 48362295 FBKXOGISSINOMQ-FQEVSTJZSA-N 433.468 3.194 5 40 IGBB CC[C@H](C(=O)NCc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534255 VZHODMUAPIBYNE-QGZVFWFLSA-N 439.921 3.418 5 40 IGBB Cc1cc(C)cc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408671656 SYBRLYFQPLOBDO-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB O=C(CN1CCN(C(=O)Nc2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 72308066 JPUYJYLKFHLEPJ-UHFFFAOYSA-N 435.843 3.176 5 40 IGBB COc1cc(OC)c(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 3385166 YJEYBFZOWPIQPA-JTQLQIEISA-N 438.820 3.458 5 40 IGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccc(-n2ccnc2)nc1 12544557 JUZQAQOWYVGJEN-UHFFFAOYSA-N 449.393 3.106 5 40 IGBB COC(=O)c1cc(C)sc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 17098381 ZEOWYGFNLLTKJU-UHFFFAOYSA-N 433.446 3.162 5 40 IGBB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 18174358 SAQBRLQSBSMIFM-KRWDZBQOSA-N 429.429 3.306 5 40 IGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)ccc1Cl 20896911 XGUXDOQUHKMIRJ-JTQLQIEISA-N 442.255 3.490 5 40 IGBB CC(=O)CC[C@@](Br)(CC[C@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] 1595448 SLQWDVMCAZEWKN-RYUDHWBXSA-N 446.092 3.241 5 40 IGBB Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9707394 GVDMFUKBPHUUOO-UHFFFAOYSA-N 436.449 3.403 5 40 IGBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCc1cc(Br)c2c(c1)OCO2 89807743 VSJAOAAXIVFPFQ-UHFFFAOYSA-N 432.230 3.357 5 40 IGBB COc1ccccc1-n1c(SCC(=O)N2CCCC2=O)nc2cc([N+](=O)[O-])ccc21 10734709 GAJKRSMAHWFTDI-UHFFFAOYSA-N 426.454 3.183 5 40 IGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 10970917 NCQOOTXONPHADT-GFCCVEGCSA-N 430.848 3.084 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2[N+](=O)[O-])CC1 12561526 ZGWZZIMLRDWVFB-CYBMUJFWSA-N 432.427 3.033 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1 15175022 KHFFSZLYMFPRJU-UHFFFAOYSA-N 427.935 3.336 5 40 IGBB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 40148898 UEBRGVBIBLQHGL-CQSZACIVSA-N 447.289 3.172 5 40 IGBB CCCCOC(=O)c1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1 59497777 MQRSPQDJIGHQHF-UHFFFAOYSA-N 434.408 3.044 5 40 IGBB Cc1sc2nc3c4ccccc4c(N4CCN(C(=O)C5CC5)CC4)nn3c(=O)c2c1C 9478424 LUFYIIDAJNYEBL-UHFFFAOYSA-N 433.537 3.133 5 40 IGBB CSc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12770288 HPUDWQZOCFFBDA-UHFFFAOYSA-N 449.554 3.421 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12775757 DRNXWQBBFYFUJG-UHFFFAOYSA-N 428.470 3.282 5 40 IGBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])c(OC)cc3OC)C2=O)o1 107905059 MQZIPAMGNIMIRY-FRKPEAEDSA-N 448.409 3.228 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260796082 PBJWKLDYLQKHSA-KDOFPFPSSA-N 435.502 3.025 5 40 IGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)NCc1ccco1 12492185 JBWBGIHMLVGZRD-QGZVFWFLSA-N 443.485 3.034 5 40 IGBB COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)c1 78902688 SWYMUFNFYTYJAP-UHFFFAOYSA-N 444.263 3.125 5 40 IGBB CCCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100707406 DJEKFFKUAUDRJJ-UHFFFAOYSA-N 436.537 3.460 5 40 IGBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)c1 409101406 BPVBOYVYXYVJQW-DEDYPNTBSA-N 445.435 3.225 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359568 QSMXJCXQZOLALN-CQSZACIVSA-N 432.433 3.352 5 40 IGBB O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc([N+](=O)[O-])c1 2640992 XVOAGYWENMACEZ-UHFFFAOYSA-N 447.856 3.375 5 40 IGBB COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c([N+](=O)[O-])c1 10187229 ASQDRFCUWNNNEP-GFCCVEGCSA-N 445.906 3.110 5 40 IGBB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 14756063 PESQUIJHARZZEO-BBRMVZONSA-N 443.504 3.365 5 40 IGBB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17095908 WCSOQHSYGOLZET-UHFFFAOYSA-N 428.514 3.429 5 40 IGBB O=C1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N2NC=NC2=N1 409372061 XWSCZFFHGHZNKC-OAHLLOKOSA-N 444.245 3.112 5 40 IGBB COc1cc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O 726915 FHAHIDOFBUVKCK-VIZOYTHASA-N 426.381 3.190 5 40 IGBB C[C@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 8424582 QLBMSDRPDWYIAK-HZUJVAHNSA-N 435.480 3.497 5 40 IGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCNc4ccccc4C3)c([N+](=O)[O-])c2)C1 32926984 QKPOWMLHNAFMTB-INIZCTEOSA-N 430.530 3.448 5 40 IGBB CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 218257246 UNCAHYDYLKJYSU-UHFFFAOYSA-N 427.866 3.052 5 40 IGBB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1 15609903 XNKPLTUGLQYZDF-UHFFFAOYSA-N 431.445 3.355 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)c1 138700478 KAHWPLPTUJPQEE-INIZCTEOSA-N 425.441 3.055 5 40 IGBB COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 408665093 TZBFUIJOFIBBGA-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB CCOc1cc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 408758375 JGIIOIBKWSCNLL-YBEGLDIGSA-N 429.410 3.080 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 13576550 SVKPQABTYLBYBG-QATBIIFWSA-N 428.448 3.366 5 40 IGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@@H](C)C2 21548911 UNPJLDUCNQGMEZ-SNVBAGLBSA-N 436.442 3.346 5 40 IGBB CCc1c(C(=O)NCc2cccc(N3CCCC3=O)c2)cnn1-c1ccc([N+](=O)[O-])cc1 32312706 OOXICBMOUMHNKC-UHFFFAOYSA-N 433.468 3.400 5 40 IGBB CNS(=O)(=O)c1ccc(Oc2ccc(-c3cnc(NC(C)=O)s3)cc2)c([N+](=O)[O-])c1 40090038 KPXURIQCQUVBTA-UHFFFAOYSA-N 448.482 3.377 5 40 IGBB CCOCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(OC)c(OC)cc21 101035538 BSTMFWCFXAUOKX-MRCUWXFGSA-N 431.470 3.406 5 40 IGBB CCCn1/c(=N\C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176335 SZIFCOBMDLKTDC-MEFGMAGPSA-N 448.454 3.116 5 40 IGBB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C 21421529 DDRGYFANXWXISH-CYBMUJFWSA-N 432.429 3.031 5 40 IGBB CN(CC(=O)Nc1ccc(O)cc1)C(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 58166144 GLSDSXMTLMSXBQ-UHFFFAOYSA-N 440.378 3.218 5 40 IGBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1nccs1 58180672 DOLYWTRLHUTLNG-UHFFFAOYSA-N 446.517 3.492 5 40 IGBB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1C 95441734 NHYKLBDMKFQCSA-UHFFFAOYSA-N 429.248 3.253 5 40 IGBB Cc1cccc(S(=O)(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1Cl 97163895 CKCDHEZPBFWGIT-UHFFFAOYSA-N 449.920 3.334 5 40 IGBB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220385005 PJQMLLGEGMGCLI-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB COc1cc(C(=O)Nc2ccc(N3CCCCC3=O)c(OC)c2)c([N+](=O)[O-])cc1OC 10221001 DHWPOEHMFOSJPC-UHFFFAOYSA-N 429.429 3.390 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 13137179 XSZSGBVCQMBDKN-AWEZNQCLSA-N 433.486 3.276 5 40 IGBB O=C1[C@H]2Sc3[nH]c(=O)sc3[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 100831034 UZYQQRHVDXDQNW-YCPHGPKFSA-N 439.474 3.140 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 8445738 IADGOTLAVCMVFA-UHFFFAOYSA-N 429.458 3.042 5 40 IGBB COc1ccc(OC)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 32945544 ABQROMDYNHZFHW-UHFFFAOYSA-N 443.456 3.398 5 40 IGBB COc1cc(OCC(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] 219829883 HLGXYFYQUWAZTH-UHFFFAOYSA-N 432.820 3.344 5 40 IGBB COc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 222583193 OYQXYSXAKDRQPY-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB Cc1ccc(I)cc1NC(=O)c1c(C(=O)O)cccc1[N+](=O)[O-] 8398125 NXXPGEVDKXMIDF-UHFFFAOYSA-N 426.166 3.458 5 40 IGBB C[C@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl 9364301 QELIFPSKOLQNNX-ZDUSSCGKSA-N 426.878 3.409 5 40 IGBB Cn1nnnc1Sc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 9955643 OEOXMSQWDHGBEC-UHFFFAOYSA-N 428.518 3.216 5 40 IGBB CC(=O)Nc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 19633599 OELDABXEIKNXRH-UHFFFAOYSA-N 441.469 3.252 5 40 IGBB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408673123 YVCZIHWGBNPSJS-MRXNPFEDSA-N 425.441 3.000 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187227 VVQXERJXNNPBFY-GFCCVEGCSA-N 445.906 3.110 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 12490261 KEWIWBZIOXZLQC-UHFFFAOYSA-N 428.430 3.338 5 40 IGBB O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)c(Br)c1 100505038 SBJRIKVHHNYYDR-UHFFFAOYSA-N 425.111 3.454 5 40 IGBB CC[C@@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 103459254 SYYZSHSUUWGNRU-ADDUHUFJSA-N 445.475 3.461 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222941314 XHJMWDNHLGGVAU-INIZCTEOSA-N 445.541 3.425 5 40 IGBB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 223434891 FPTLBRUIUYJDPH-QGZVFWFLSA-N 433.530 3.472 5 40 IGBB O=C1N/C(=C\c2ccccc2I)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 408552332 RQYLAQJKCLHYOT-DHDCSXOGSA-N 449.204 3.292 5 40 IGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1[N+](=O)[O-] 409240235 PCHJITJNSHMSAC-LZYBPNLTSA-N 431.401 3.418 5 40 IGBB O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 8837903 YJVVIRQVUAWISQ-LJQANCHMSA-N 428.464 3.287 5 40 IGBB COc1cc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])c(OC)c1OC 12759258 CBSKMPLAGNQNKN-OAHLLOKOSA-N 437.880 3.307 5 40 IGBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1CCC 16956750 ICQQHMIHKDXIRX-GCJKJVERSA-N 430.505 3.399 5 40 IGBB O=c1c2cccnc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1CCc1c[nH]c2ccccc12 20356848 CLDVKVMBABUECW-UHFFFAOYSA-N 441.447 3.239 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686623 SFAVXCDROFFYSZ-SZVBFZGTSA-N 449.463 3.256 5 40 IGBB O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc(-c3ccccc3Br)nn12 1896642 XELDHHJJVYUELE-ZROIWOOFSA-N 429.255 3.036 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640682 VMSJNLKRPWHFNB-OALUTQOASA-N 431.539 3.487 5 40 IGBB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 34872087 PESQUIJHARZZEO-XJKSGUPXSA-N 443.504 3.365 5 40 IGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H](CN(C)C)C3)c([N+](=O)[O-])c2)CC1 58166513 LYYYYCUWMBOFLS-ADKAHSJRSA-N 438.594 3.230 5 40 IGBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1ccc(Cl)c([N+](=O)[O-])c1 78432532 XGLOYMWDDJIENK-UHFFFAOYSA-N 426.776 3.100 5 40 IGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1Cl 12562776 YORAATLHRVEQMG-CQSZACIVSA-N 438.937 3.357 5 40 IGBB O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12939628 VJVTVJHOBOGEOZ-QGZVFWFLSA-N 425.413 3.055 5 40 IGBB NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(Cc1ccccc1)C2 23153822 RCYNGALOWDQSMX-UHFFFAOYSA-N 426.454 3.159 5 40 IGBB O=C1C[C@H](c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N2NC=NC2=N1 409375455 KXSOZYZVOVETNK-OAHLLOKOSA-N 444.245 3.112 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 8722153 XBKJSDHHZMFCDJ-INIZCTEOSA-N 446.441 3.329 5 40 IGBB O=C(O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 9056376 CLKZAOJOJYRCTB-YRSZXAOTSA-N 440.411 3.170 5 40 IGBB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 11614674 HMCLITKBOBAZHE-GOSISDBHSA-N 427.844 3.461 5 40 IGBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl 218271641 NYMKEERSJGUPPY-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2C)c1 408663147 LOGJXFZDHXMZAH-UHFFFAOYSA-N 429.429 3.121 5 40 IGBB Cc1cccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 13613669 JLGXQBTVOZUPEF-UHFFFAOYSA-N 439.493 3.415 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 100537844 XJACHFFQDNQMHZ-LRGYGIHKSA-N 448.431 3.170 5 40 IGBB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406250 JWDFVBMCWQUZNH-NSHDSACASA-N 427.866 3.050 5 40 IGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260796085 PBJWKLDYLQKHSA-RDTXWAMCSA-N 435.502 3.025 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408656166 IOCRSWXVGHUAQL-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 9056371 ZPPBLSSUVJKECH-ZRDDSIGQSA-N 441.399 3.380 5 40 IGBB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12563566 NIQDAUAHMNDJKO-SFHVURJKSA-N 446.916 3.400 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 20051107 BLJCTMSBMKIJQK-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408659527 VWQOKOHVIOISAR-CYBMUJFWSA-N 443.843 3.416 5 40 IGBB Cc1c(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] 38860285 PMQWRZIYZWSEHW-KRWDZBQOSA-N 439.877 3.112 5 40 IGBB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4C)CC3)cccc2c1 40153498 HUCVFFQIWCKHHC-UHFFFAOYSA-N 440.525 3.266 5 40 IGBB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 14245173 KKFJBVWRCKRPIR-HNNXBMFYSA-N 426.410 3.191 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccc(C)c(F)c1 58907998 PVRTYEPTZHGASU-UHFFFAOYSA-N 442.403 3.422 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102084110 UTCAVOOSNXAPSO-UFOPBENGSA-N 429.432 3.405 5 40 IGBB C[N+]1(C)CC[N+](C)(CSCCCCCCSC[N+]2(C)CC[N+](C)(C)CC2)CC1 5664850 MWTLCGZXWONDHW-UHFFFAOYSA-N 434.804 3.001 5 40 IGBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 9008842 MBTWNFNHVVVXDF-LBPRGKRZSA-N 440.865 3.056 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2OC)o1 19928440 BIIABAZRDMFXMF-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 105876737 MSCDMBSSWNTZRX-ZTTFOMCMSA-N 449.573 3.245 5 40 IGBB CCOc1ccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222533197 IIIUCMWRELCLED-GOSISDBHSA-N 435.502 3.485 5 40 IGBB Cc1c(NC(=O)CSc2nnc(N3CCCC3)n2C[C@H]2CCCO2)cccc1[N+](=O)[O-] 10517764 KVQGABLDKLSDSZ-OAHLLOKOSA-N 446.533 3.005 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640714 KCNITADKTJAPER-HKUYNNGSSA-N 431.539 3.487 5 40 IGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108936792 OZRJROFDDZOEGD-UHFFFAOYSA-N 429.433 3.049 5 40 IGBB COc1ccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 218053369 FKTBWKFSSFHWRF-UHFFFAOYSA-N 444.469 3.212 5 40 IGBB CCOc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 222620814 NOJPCBHOWVLBRK-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223281002 HJMVKELVDYCUJI-RTWAWAEBSA-N 436.541 3.315 5 40 IGBB CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1cccc([N+](=O)[O-])c1 409141426 HXOAOJIDCLIUCZ-UHFFFAOYSA-N 427.442 3.302 5 40 IGBB COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 2786048 BKEJERDXTIPXIH-PZJWPPBQSA-N 447.451 3.018 5 40 IGBB CCc1ccc([C@@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])N(C)C)cc1 12755133 KSCRKGKWSAEGAO-QGZVFWFLSA-N 431.489 3.216 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260587994 DEQWJWOYYFHFRL-SJORKVTESA-N 433.530 3.195 5 40 IGBB CCn1nccc1CN(C)C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2795320 YRVNFLMGESSVCV-UHFFFAOYSA-N 447.293 3.091 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12 11025906 DCKMWQUOGRQHPG-UHFFFAOYSA-N 441.874 3.279 5 40 IGBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3Br)nn12 13748593 RSEGDDSFDXNTGL-ZROIWOOFSA-N 429.255 3.036 5 40 IGBB C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CCC2 16320209 IXHYVNYBRHBLKV-HNNXBMFYSA-N 439.468 3.104 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 408557196 LZSIOOPCQXWQMC-OAHLLOKOSA-N 433.486 3.033 5 40 IGBB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1343770 UKFNLQKVAPSNCR-QGZVFWFLSA-N 429.408 3.327 5 40 IGBB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 8735656 PZBNVZGBFNOKDU-AVRDEDQJSA-N 449.573 3.423 5 40 IGBB CCOc1ccccc1-c1noc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 11378585 RFCAMKPPWDEWQY-NRFANRHFSA-N 437.412 3.011 5 40 IGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 13946252 CTHANTGFMKMBAH-UHFFFAOYSA-N 440.500 3.307 5 40 IGBB CCCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 101154165 MJCHNGYKPOREJP-UHFFFAOYSA-N 433.487 3.388 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 248263321 NGRVVTWGWQTRJM-ZRNYENFQSA-N 446.463 3.089 5 40 IGBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064799 SXMXDTNHFMNFBA-UHFFFAOYSA-N 444.469 3.029 5 40 IGBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C 9630713 UXONALWDUHMXKC-UHFFFAOYSA-N 443.456 3.356 5 40 IGBB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 11381688 NKWZEKRDUOUQQK-UHFFFAOYSA-N 432.502 3.500 5 40 IGBB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 13006422 XJIXEVZXKCPJIO-UHFFFAOYSA-N 449.254 3.193 5 40 IGBB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220402208 IACHTOGLTDRVRR-LLVKDONJSA-N 431.392 3.407 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCCc1ccccc1)S(C)(=O)=O 222377239 VCWZHZIDHMBCNP-UHFFFAOYSA-N 433.530 3.198 5 40 IGBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccc([N+](=O)[O-])c1 10059163 ZQYXXXVFUAVASK-DEOSSOPVSA-N 446.415 3.331 5 40 IGBB CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 13305483 MWGHXSNGAOJDSH-CKEIUWERSA-N 443.403 3.493 5 40 IGBB CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 40151566 JZUCWENSKMJILB-UHFFFAOYSA-N 427.505 3.063 5 40 IGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102407320 PVOFCOOQVAZBOT-NYYJTOMGSA-N 427.423 3.473 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccccc1Cl)S(C)(=O)=O 220388924 YBHNEEZGVUQZNU-ZDUSSCGKSA-N 425.894 3.028 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 9226298 BYJPSXNWYCHQLT-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10336448 BHRORXOIBWLUJY-UHFFFAOYSA-N 428.470 3.071 5 40 IGBB CS(=O)(=O)N(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9373518 PKSIVADZXQHJDY-UHFFFAOYSA-N 425.271 3.057 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 15549004 PSSKNYMWTBZWQZ-INIZCTEOSA-N 448.545 3.257 5 40 IGBB Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 17095861 IEQNZKVYLGRAMQ-UHFFFAOYSA-N 428.499 3.045 5 40 IGBB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 23409396 DXRBOXLCQXGKON-OAQYLSRUSA-N 428.464 3.112 5 40 IGBB COc1ccc([C@@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2c[nH]c3ccccc23)cc1 559684336 SBTUFSYUSKFCSX-GHTZIAJQSA-N 435.484 3.064 5 40 IGBB COc1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 16809163 AIMCPSRTIXSDND-NFJKTXFASA-N 426.428 3.480 5 40 IGBB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)c1 19867774 YDKFMWISQHQXFM-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB O=C(NCCc1ccccc1F)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48274190 YIMXVTOFWXQCHD-UHFFFAOYSA-N 425.464 3.112 5 40 IGBB CS(=O)(=O)N(CCCC(=O)N[C@@H]1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 222366966 BBENDTICDCPWEI-HXUWFJFHSA-N 431.514 3.335 5 40 IGBB CN(C)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2474915 SEGKGUPMPWOOGE-UHFFFAOYSA-N 432.483 3.202 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 9364651 KTXVZZDQNMVRML-UHFFFAOYSA-N 445.482 3.438 5 40 IGBB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 17095796 JUFPXMFNCFTZIU-UHFFFAOYSA-N 428.470 3.410 5 40 IGBB Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2=O)c1C 22097551 QMOLTNOLKRYBDJ-HZPDHXFCSA-N 425.441 3.135 5 40 IGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581040 OZOOYIVANYTWRP-CVDCTZTESA-N 447.491 3.450 5 40 IGBB CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc([N+](=O)[O-])c2)S1(=O)=O 219195496 QTBMVUHOPZTGGY-UHFFFAOYSA-N 447.469 3.151 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 222360868 RKQXYGBJAQEVDG-UHFFFAOYSA-N 425.894 3.111 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224930335 BSVHABRZUDXANF-INIZCTEOSA-N 446.529 3.297 5 40 IGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225350568 SBUTVKHMULZPHI-SJORKVTESA-N 427.501 3.478 5 40 IGBB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 10060094 MFOWQTXZPYKFLH-LJQANCHMSA-N 436.428 3.131 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1 10220645 YSTYQJFLWBKIFC-UHFFFAOYSA-N 433.486 3.419 5 40 IGBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139917 VBOPKTYHIIMLBP-XJKCOSOUSA-N 429.376 3.102 5 40 IGBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 3309285 FRBPBMMQVVXJNY-UHFFFAOYSA-N 429.816 3.194 5 40 IGBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O 9128699 HRDMZMVSFJTYTR-WMZHIEFXSA-N 436.468 3.021 5 40 IGBB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 9569522 ATZCNGROIDSXRH-UHFFFAOYSA-N 428.445 3.463 5 40 IGBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCCC2)c1cccc([N+](=O)[O-])c1 10186665 PPLZRFXXZODRBO-UHFFFAOYSA-N 436.493 3.449 5 40 IGBB CCOc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)cc1OC 12780545 RIUFONBQSOCDMW-IBGZPJMESA-N 443.500 3.114 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O 222370765 NZTSPBZTBOEXRZ-UHFFFAOYSA-N 443.428 3.067 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccc2)CC1 9713788 WWWTVPGFRYGYPK-UHFFFAOYSA-N 430.530 3.096 5 40 IGBB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 12481099 RBQRAZZDXALADF-UHFFFAOYSA-N 428.276 3.202 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 33699365 GLVAHNFESMYFNQ-UHFFFAOYSA-N 429.454 3.161 5 40 IGBB O=C(NC[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 56896240 ADDYDJRJOABJTP-QHCPKHFHSA-N 449.486 3.422 5 40 IGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccs1 59109355 WNRNPEASNUBJOD-FNORWQNLSA-N 429.410 3.234 5 40 IGBB CCOc1ccccc1CN(C[C@@H](C)O)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 84810993 LWDXBRHNLLTLFP-MRXNPFEDSA-N 438.484 3.345 5 40 IGBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225098232 CVQFGZVSPXRRDA-LJQANCHMSA-N 443.500 3.316 5 40 IGBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@@H]1COc2ccccc2O1 21179873 BZRJUJXMZXVZSH-KRWDZBQOSA-N 442.453 3.395 5 40 IGBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cc([N+](=O)[O-])ccc3O)C(=O)O)n[nH]2)c1 408633585 OAMDUXIJHGOVMP-PXNMLYILSA-N 444.425 3.321 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408676227 ANJCXGAEQBVSIB-FEBSWUBLSA-N 437.427 3.322 5 40 IGBB Cc1[nH]c(-n2nc(-c3cccs3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)nc(=O)c1C 11855016 ZQZULKAUVUNFOJ-UHFFFAOYSA-N 426.414 3.054 5 40 IGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12974109 LPCQMJCMXBJCHV-UHFFFAOYSA-N 437.422 3.468 5 40 IGBB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)n1 13425230 MGYYQAKNULAZKX-UHFFFAOYSA-N 445.530 3.153 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 23722366 IGYHYUJEZDABER-UHFFFAOYSA-N 447.513 3.341 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(NCCc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 78990286 UBNGWJUBKATXHW-UHFFFAOYSA-N 445.501 3.330 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100561458 UGUODNHFYXCPLW-JXXFODFXSA-N 429.498 3.095 5 40 IGBB Cc1ccc(C)c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 139090929 VDPQWGISBMJPOS-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220749479 SAQMSBMMJOKHJG-MRXNPFEDSA-N 441.893 3.440 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1 9015557 FLVZTNAMLNMCIA-UHFFFAOYSA-N 447.860 3.400 5 40 IGBB COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064670 ADHKMBMIPATRIF-UHFFFAOYSA-N 442.497 3.499 5 40 IGBB Cc1cccc(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 10447653 DTOOPOYEKPXWRL-UHFFFAOYSA-N 439.493 3.415 5 40 IGBB COc1ccc(C)cc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222374159 CHMHWRYSOCNXQU-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224174704 GWSJFCZNDISBSI-LJQANCHMSA-N 443.500 3.234 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1CN(C)[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408568852 VAMHJCBFYKFJKR-ADLFWFRXSA-N 446.301 3.370 5 40 IGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 3250188 YBBGBZAXYNBYOX-UHFFFAOYSA-N 426.450 3.430 5 40 IGBB COc1cc(CCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(OC)c1OC 9127451 VPZGNOIFXAXRMU-UHFFFAOYSA-N 433.413 3.163 5 40 IGBB Cc1nn(CC(=O)Nc2ccccc2S(=O)(=O)N(C)C2CCCCC2)c(C)c1[N+](=O)[O-] 9910920 YKVCGAVZQSILOT-UHFFFAOYSA-N 449.533 3.000 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)ccc1O 12561027 WZNPERVMXSWISU-UHFFFAOYSA-N 428.348 3.306 5 40 IGBB COc1cc(CN(C(=O)c2ccccc2[N+](=O)[O-])C2CCCCC2)ccc1OCC(N)=O 19633701 TUSJCYMCDKCIJU-UHFFFAOYSA-N 441.484 3.443 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(C)c2)CC1 19867767 REAUQBVUFDOBSX-UHFFFAOYSA-N 447.513 3.092 5 40 IGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101723797 OBMUTBBPPYUMQF-SOXBMFEASA-N 430.416 3.372 5 40 IGBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)c1ccccc1 855977 HGIRQIQNQDLNFA-UHFFFAOYSA-N 430.372 3.435 5 40 IGBB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 2761123 PVFDMXCZMSAFSC-UHFFFAOYSA-N 432.780 3.487 5 40 IGBB CCOc1ccc(C(=O)Nc2cc(-c3nn4cnnc4s3)ccc2OC)cc1[N+](=O)[O-] 10119864 SSAJKEZTYBFFGA-UHFFFAOYSA-N 440.441 3.421 5 40 IGBB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)c1 12173194 KFBCLPMZDDUAFK-UHFFFAOYSA-N 446.441 3.401 5 40 IGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)N1CCc2ccccc21 9829071 QMJNRHSVRRMBNJ-UHFFFAOYSA-N 432.465 3.381 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1Cl 12597681 NNWFFNDOJVDCEM-CYBMUJFWSA-N 425.894 3.442 5 40 IGBB O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611866 VTIMNSKKAPLENG-UHFFFAOYSA-N 436.262 3.211 5 40 IGBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)cc1 40400476 SVOVXGCPXLVVGJ-HNNXBMFYSA-N 448.439 3.103 5 40 IGBB CCN(C[C@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] 48326287 ZXNIDVCDTIZJFR-IXDOHACOSA-N 425.551 3.267 5 40 IGBB CCc1ccc(CC)c(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 223547398 KYJYVMYIXWOUTJ-HNNXBMFYSA-N 433.530 3.191 5 40 IGBB CC(C)CNC(=O)c1c(NC(=O)c2ccc(COc3cccc([N+](=O)[O-])c3)o2)cnn1C 2729791 JJIIZLBDSRWATM-UHFFFAOYSA-N 441.444 3.138 5 40 IGBB COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 12560822 WQCDIOFSOAJNNF-UHFFFAOYSA-N 439.877 3.493 5 40 IGBB CCS(=O)(=O)N1CCC[C@H](c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)C1 13643752 NEJAVJWRHIIMCT-ZDUSSCGKSA-N 430.559 3.033 5 40 IGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1occc1CS(=O)(=O)c1ccccc1 22023409 QNEHRDMNEUKCLX-UHFFFAOYSA-N 429.454 3.004 5 40 IGBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(OC)c1 62581955 HBFBBAPYENOHQK-HNNXBMFYSA-N 442.877 3.230 5 40 IGBB CC[C@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504196 FASDCXDHPXCZBQ-AUUYWEPGSA-N 435.502 3.025 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686622 SFAVXCDROFFYSZ-SUMDDJOVSA-N 449.463 3.256 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1ccc(N2CCOCC2)cc1 9669732 IRCNWNOMPABXEE-UHFFFAOYSA-N 431.392 3.469 5 40 IGBB O=C(O)c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1 409092043 XECAVXYTKOMDHK-UNOMPAQXSA-N 432.392 3.177 5 40 IGBB CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O 4111591 RRLRTYLZAZPELC-OVCNXMPXSA-N 449.500 3.318 5 40 IGBB CC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6631935 NPGAYBDFBQBWHP-OAHLLOKOSA-N 435.502 3.022 5 40 IGBB Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4o3)c(N)n(CCc3ccccc3)c2c1=O 12311418 GICZRQUFAOPZGM-UHFFFAOYSA-N 430.424 3.276 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 20629236 CFPYWGSGWWASHE-UHFFFAOYSA-N 434.499 3.150 5 40 IGBB CC[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCc2ccccc2C1 32829947 JAYFXFIAIYZXJL-NRFANRHFSA-N 438.528 3.316 5 40 IGBB O=C1Nc2ccccc2[C@]12N[C@@H](c1ccccc1)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc2c(c1)OCO2 36046638 USVIGHKDNMDKSO-GRSYGWAWSA-N 429.432 3.336 5 40 IGBB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 138901257 POAXVRBDDJJUJD-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 4157388 CLOUJLCDLCKLFV-YQMDMEMYSA-N 448.431 3.170 5 40 IGBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1 36383722 CWDAOASFGJUFDO-NRFANRHFSA-N 432.546 3.340 5 40 IGBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Br)cc1 224736283 DXYFYQUCENVOCA-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB COc1ccc(NC(=O)CSc2nc(-c3ccc(NC(C)=O)cc3)n[nH]2)c([N+](=O)[O-])c1 408637701 NEZXYCALZSRMHW-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB Nc1nc(-c2cccc([N+](=O)[O-])c2)cc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)n1 1588364 GHSPYTWXNOLPEX-UHFFFAOYSA-N 430.384 3.248 5 40 IGBB in-vitro O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12732235 MGKHSNHGNYXVLH-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225028071 OZWTYVIOYOPZLF-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)nn1 9626914 OYRWGSKLUKNGNF-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCCS(=O)(=O)c3ccccc3)nc12 10218242 RTMMXCAKLVBZFE-UHFFFAOYSA-N 435.483 3.406 5 40 IGBB COc1cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(OC)c1OC 10002067 MHPGDIHEZXGYFB-UHFFFAOYSA-N 435.864 3.236 5 40 IGBB C[C@H]1CN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CCN1C(=O)c1ccccc1F 12418095 FCMXHQXIHXQTBS-HNNXBMFYSA-N 446.454 3.061 5 40 IGBB C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@@H](C)O1 5164575 SLBGURDKOXNUOG-HZPDHXFCSA-N 426.521 3.040 5 40 IGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 13113376 MFYVHSFECIXWTC-SFHVURJKSA-N 448.229 3.053 5 40 IGBB CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)c1ccccc1Cl 15128862 JEQWIBBAENBMDR-QGZVFWFLSA-N 426.926 3.391 5 40 IGBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21129677 FQOQHJRKENRZNZ-NWDGAFQWSA-N 449.822 3.311 5 40 IGBB CN(c1ccccc1)c1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1[N+](=O)[O-] 105740768 GDTSEQVBOVNYSN-GRDMYJHDSA-N 437.521 3.337 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccccc1Cl)S(C)(=O)=O 222375641 POVJUVHHWCJSQF-UHFFFAOYSA-N 439.921 3.419 5 40 IGBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225716866 FNIFXODQACYBEL-IBGZPJMESA-N 443.500 3.314 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 408652434 OMCYWQXKTBCRSX-RTBURBONSA-N 435.436 3.010 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2cccc(NC(C)=O)c2)n1 408675314 VKGJMLDOXPWWOZ-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB COc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21 2218241 LFAOGNWRPNVLSP-OAHLLOKOSA-N 427.464 3.471 5 40 IGBB CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3366898 PIZBWMHNDZVZAM-NSHDSACASA-N 435.820 3.432 5 40 IGBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)c([N+](=O)[O-])c1 9373544 RWTPESGQVLHAPS-UHFFFAOYSA-N 428.474 3.005 5 40 IGBB O=C1[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1 102690974 UZYQQRHVDXDQNW-IJEWVQPXSA-N 439.474 3.140 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1O 9096071 CDXMTWMBOWBHND-UHFFFAOYSA-N 429.458 3.318 5 40 IGBB Cc1cc(C)n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)nnc2n1 9244991 AYCHEKJEPMBMIG-UHFFFAOYSA-N 437.279 3.143 5 40 IGBB CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1c1ccccc1 9433926 BUMYVVCJEIASFD-WMZHIEFXSA-N 436.468 3.192 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H](C)c2ccccc2)CC1 12754603 QUAAFZFTSWAVIE-KRWDZBQOSA-N 445.541 3.224 5 40 IGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(C(=O)N2CCOCC2)oc2ccccc12 14900819 VNSIKXQCISKAEG-UHFFFAOYSA-N 438.440 3.254 5 40 IGBB CN(CC(=O)Nc1cccc2ccccc12)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] 33012139 RLLXHZHPTJOKCN-UHFFFAOYSA-N 448.479 3.295 5 40 IGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccco1 101162986 CIXAPUIQQIWKMT-QQTULTPQSA-N 434.452 3.049 5 40 IGBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)N=c1[nH]c2ccccc2[nH]1 9224065 QBYBVCRQUZXHPT-INIZCTEOSA-N 447.904 3.037 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC(Cc2ccccc2)CC1 9562546 QVMOFMMLLBBXHP-UHFFFAOYSA-N 445.541 3.075 5 40 IGBB CCN(C(=O)COC(=O)c1c2ccccc2cc2ccccc12)[C@@H]1CCS(=O)(=O)C1 9612696 LCCOTIVSAKNSPH-GOSISDBHSA-N 425.506 3.185 5 40 IGBB COc1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(C)=O)N2C=Cc4ccccc4[C@@H]32)c(C)cc1[N+](=O)[O-] 13777038 DPMUTYNODWNDAB-MBDNFAEBSA-N 447.447 3.016 5 40 IGBB COc1ccc(NC(=S)NC(=O)c2c(F)c(F)c(OC)c(F)c2F)c([N+](=O)[O-])c1 17098339 NDPDKCPQZVTPMJ-UHFFFAOYSA-N 433.339 3.295 5 40 IGBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727624 XNZVMLWRHKTYTQ-JSGCOSHPSA-N 440.387 3.441 5 40 IGBB COc1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 33507455 URVXTVXJSAPOQB-UHFFFAOYSA-N 449.463 3.472 5 40 IGBB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3269222 FNDKSXFBNYMQEP-UGSOOPFHSA-N 431.420 3.059 5 40 IGBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1[C@H]1CCS(=O)(=O)C1 24628241 KHLSNDLGPMXCKJ-AWEZNQCLSA-N 426.878 3.288 5 40 IGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1C1CCCCC1 9240798 MYVMCYHPBXIZEG-CVDCTZTESA-N 440.500 3.297 5 40 IGBB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 19867668 XYKIAMTVBZBXGE-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB O=[N+]([O-])c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 11689685 VQBDZRKKCKPIMC-UHFFFAOYSA-N 430.438 3.350 5 40 IGBB COc1cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 19647151 ZMQJHYCJLAJRDG-UHFFFAOYSA-N 448.482 3.357 5 40 IGBB C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 23064160 BLKCFUAYHPLJPJ-ZDUSSCGKSA-N 429.404 3.040 5 40 IGBB COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)oc12 26843318 GHJCDDNSHRJHDW-UHFFFAOYSA-N 437.452 3.289 5 40 IGBB O=C(c1ccccc1)c1ccc(N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c([N+](=O)[O-])c1 84519313 JKVIXLFNUZOMND-HXUWFJFHSA-N 437.496 3.434 5 40 IGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)c1 9159136 CRTLJMWNWHOTHS-UHFFFAOYSA-N 442.432 3.489 5 40 IGBB Cc1nc2c3ccccc3n3c(CCCC(=O)NC[C@H](C)c4ccccc4)nnc3n2n1 9860226 WGADYOFBSASFPU-INIZCTEOSA-N 427.512 3.476 5 40 IGBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 16694517 UQKCJRASSVCVPU-UHFFFAOYSA-N 441.440 3.041 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 40385261 OVINSEHYHYAFTD-AWEZNQCLSA-N 442.819 3.037 5 40 IGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408677319 BQIFAIIKAXAXCT-XPGWFJOJSA-N 449.463 3.256 5 40 IGBB O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 9138446 DBWXJVXBYBVWQQ-UHFFFAOYSA-N 435.263 3.064 5 40 IGBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)n2nnnc2N1 12604346 ZTWQIXMVRQSCEP-KRWDZBQOSA-N 426.820 3.267 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23105343 ZNMIJNKMWWTREX-UHFFFAOYSA-N 444.491 3.467 5 40 IGBB C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032895 ZGKWRZXILZGFOV-KPZWWZAWSA-N 434.855 3.500 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 222369426 OTYWLSMNGACRHK-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB COc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1[N+](=O)[O-] 12642916 HQXSSFURDMJZII-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB COc1cccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)c1 1360254 FWSDNTPJECFDDI-HNNXBMFYSA-N 444.469 3.222 5 40 IGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1I 12495549 VVNVXOBYSVSEBB-UHFFFAOYSA-N 443.222 3.032 5 40 IGBB COC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 20412338 QYIUCELCSSDPKU-UHFFFAOYSA-N 442.453 3.080 5 40 IGBB CCOC(=O)C1=C(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccco1 24863525 FKANSJXSQHVHSN-ORAYPTAESA-N 428.445 3.052 5 40 IGBB C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1OC(F)F 25789288 YZSBSFXLZZOLQS-JTQLQIEISA-N 425.413 3.265 5 40 IGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCc2c1cccc2[N+](=O)[O-] 513839086 DAQYLUZNFLQKIO-OAHLLOKOSA-N 447.488 3.114 5 40 IGBB CCc1ccc([C@H](CNC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])N(C)C)cc1 12755139 KSCRKGKWSAEGAO-KRWDZBQOSA-N 431.489 3.216 5 40 IGBB Cc1onc(-c2ccccc2)c1-c1nnc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)o1 12935425 ICBRXMOPJQOUNV-UHFFFAOYSA-N 431.364 3.404 5 40 IGBB NC(=O)c1ccc(N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 32841293 AZCZHYCYWBFWAA-LBPRGKRZSA-N 434.378 3.139 5 40 IGBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222804817 UBIIPWHDSYAPRO-HXUWFJFHSA-N 427.501 3.478 5 40 IGBB CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225472137 PRXSBVJTCNGLGV-CYBMUJFWSA-N 434.290 3.063 5 40 IGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408650642 MMQOPFPOPWMMIT-UIAACRFSSA-N 449.463 3.256 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 12528131 OQTJWZGGJDDIED-CVEARBPZSA-N 442.438 3.114 5 40 IGBB COc1cccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 57653105 FCGSHKBNUSLLGG-INIZCTEOSA-N 435.484 3.301 5 40 IGBB CCCN(C)C[C@@H]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[C@H](CN(C)CCC)C3)n2)C1 108143892 KYMUBVHZOIJLJT-UXHICEINSA-N 447.628 3.029 5 40 IGBB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 9465132 VGCDOCLQIIMSDN-CYBMUJFWSA-N 449.460 3.284 5 40 IGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1C[C@H]2CC[C@@H]1C2 14186210 XXXGFHHODOEDOK-LZLYRXPVSA-N 429.498 3.095 5 40 IGBB CC1CCN(S(=O)(=O)c2ccc(Nc3cnn(C[C@H]4CCCO4)c3)c([N+](=O)[O-])c2)CC1 40139266 NZAWZNAKZDYQAT-QGZVFWFLSA-N 449.533 3.135 5 40 IGBB COc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220175502 RYMUSZKZABHDDI-LLVKDONJSA-N 427.866 3.050 5 40 IGBB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225035402 WSEJPSYDZKDEOP-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20153178 RCMIOFAOUUIMAM-UHFFFAOYSA-N 444.469 3.034 5 40 IGBB COc1ccc(OC)c2sc(N(CCCN(C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc12 12141018 CYZYUTOYOCANCQ-UHFFFAOYSA-N 434.474 3.413 5 40 IGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 24768085 SQOFILPHJBHEED-UHFFFAOYSA-N 435.477 3.390 5 40 IGBB O=[N+]([O-])c1ccc(-c2ncn(CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)n2)cc1 31653193 YWBLAOLXSMQAIG-UHFFFAOYSA-N 447.421 3.437 5 40 IGBB O=C(Nc1cccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1)C1CC1 40060983 SRDLXGVCYFKVFY-UHFFFAOYSA-N 430.486 3.471 5 40 IGBB COc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 48331891 SVKDHQJKIWGUNF-UHFFFAOYSA-N 427.438 3.200 5 40 IGBB CCc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222369835 AHPDCVCRQVEPHV-UHFFFAOYSA-N 435.502 3.351 5 40 IGBB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 408661294 FRLVNJRASSUNKR-UHFFFAOYSA-N 429.429 3.284 5 40 IGBB CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)[C@H]2C1 584442542 UJPTVSNFIAPVIS-QTJFZDIUSA-N 439.462 3.336 5 40 IGBB O=C(CSc1nnc(NCc2ccccc2)s1)NC(=O)c1cccc([N+](=O)[O-])c1 2618683 SQHDVYSSNMTLQJ-UHFFFAOYSA-N 429.483 3.107 5 40 IGBB O=C(CNc1cccc(S(=O)(=O)N2CCCCCC2)c1)Nc1cccc([N+](=O)[O-])c1 9586349 PWFGRBJANOYNTQ-UHFFFAOYSA-N 432.502 3.210 5 40 IGBB COc1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1Br 20154292 HKHLIPSUHLBLHI-UHFFFAOYSA-N 435.278 3.028 5 40 IGBB CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 32760591 JXCTXDKGEYZKGZ-UHFFFAOYSA-N 437.905 3.270 5 40 IGBB CCc1ccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57478197 HBADMJABPBGHAB-UHFFFAOYSA-N 447.539 3.486 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(Cl)cc1)S(C)(=O)=O 220383555 WIMFQZUMAPJXMD-ZDUSSCGKSA-N 425.894 3.028 5 40 IGBB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 409174103 LHFQPIVLARUXEA-UHFFFAOYSA-N 449.876 3.392 5 40 IGBB O=C(Nc1ccccc1[N+](=O)[O-])C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23105413 DGUCKEFSFHFEEI-UHFFFAOYSA-N 444.491 3.467 5 40 IGBB COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccccc1[N+](=O)[O-] 35108811 LFOFYBGSRMMCQZ-SOFGYWHQSA-N 440.368 3.050 5 40 IGBB CCC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57671847 DORZDLUXWBDSTF-JOCHJYFZSA-N 435.532 3.487 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 2644959 QRWGAGGESAJWON-UHFFFAOYSA-N 431.392 3.251 5 40 IGBB Cc1nc(-c2ccc(CNC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2)cs1 13020085 RIXMSFNKTMCAOF-UHFFFAOYSA-N 431.495 3.360 5 40 IGBB O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103137804 CAOQVDNNTUJXKN-GHMZBOCLSA-N 428.363 3.491 5 40 IGBB COC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076691 IQVSLGSDCJZUGD-UHFFFAOYSA-N 432.376 3.290 5 40 IGBB O=C(O)CN1C(=O)N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 408587986 AUNJBWPCFONZML-YBFXNURJSA-N 447.403 3.304 5 40 IGBB COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Br 20611722 DLWSZUUOKSAEGV-UHFFFAOYSA-N 436.262 3.455 5 40 IGBB O=C(NCC1CCCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 24828752 DXAUKYATGYGYIU-UHFFFAOYSA-N 443.953 3.345 5 40 IGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 58440982 QFJRUSWPDNBDPN-CQSZACIVSA-N 428.514 3.416 5 40 IGBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3Br)n12 59488410 JGHVDOJPOORTQG-ZROIWOOFSA-N 429.255 3.036 5 40 IGBB CCc1ccc(N2C[C@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 3281891 LLIAFENVGXOVDZ-OAHLLOKOSA-N 426.425 3.120 5 40 IGBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc1[N+](=O)[O-] 13151971 CGOPXBZJVUGHRM-UHFFFAOYSA-N 431.426 3.038 5 40 IGBB CS(=O)(=O)N(CC(=O)NC(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 13847066 GFMKNSRWFKVOLM-UHFFFAOYSA-N 439.493 3.267 5 40 IGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1[N+](=O)[O-] 14009674 MQLDPFMURUDTQY-UHFFFAOYSA-N 425.220 3.392 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23411321 FADJKTMUTREEAW-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 32640716 KCNITADKTJAPER-MJGOQNOKSA-N 431.539 3.487 5 40 IGBB COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 89465981 HAGDSAHLFOAZNN-KPKJPENVSA-N 445.497 3.430 5 40 IGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1 409322258 IRLPSFQXDOXZGD-ALCCZGGFSA-N 440.368 3.462 5 40 IGBB C[C@@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1 5150532 IMLIBDXSSRQGJJ-HZPDHXFCSA-N 426.521 3.040 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)cc1 10220644 UDJMVGRNYLUFJP-UHFFFAOYSA-N 433.486 3.419 5 40 IGBB COc1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)S2)cc1 12786568 DNEFEWZIZNSPAY-INIZCTEOSA-N 430.442 3.051 5 40 IGBB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1ccc([N+](=O)[O-])cc1 15343594 YCTXRXNBZFVCBM-JTQLQIEISA-N 433.269 3.312 5 40 IGBB Cc1ccc(CNC(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1F 48289364 XLQIIHHBZQXJRG-UHFFFAOYSA-N 425.464 3.378 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408589754 FIIOVXZVQPUTFE-FQEVSTJZSA-N 425.466 3.123 5 40 IGBB Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 517650426 OXXWCNNKIHQJCJ-SFHVURJKSA-N 443.525 3.283 5 40 IGBB COC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 40155559 IGASQTSWUQMAQS-CQSZACIVSA-N 428.363 3.276 5 40 IGBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)NCc1ccccc1 658419 GABLDODHIWRBAU-UHFFFAOYSA-N 449.565 3.274 5 40 IGBB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1103006 AWYHJIKSTAXYKF-VGOFMYFVSA-N 448.229 3.125 5 40 IGBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 16320830 JWMWYTDLJSEQNI-UHFFFAOYSA-N 437.275 3.443 5 40 IGBB CCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176329 GVGGVNSOHLMNJA-QYQHSDTDSA-N 444.491 3.285 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)cc1 408675241 SWQKQURYUFRBGM-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)NC(=O)c1cccc([N+](=O)[O-])c1 2660804 FEGYLXVTZIGKMV-UHFFFAOYSA-N 441.444 3.376 5 40 IGBB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 9356128 XIZXXSMPJMTFCN-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)N1CCN(c2ccccc2)CC1 9519377 TXBYYJTZIBTRJF-UHFFFAOYSA-N 435.509 3.493 5 40 IGBB Cc1csc(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)n1 9600093 BKBXKCBKOMZLSF-UHFFFAOYSA-N 436.500 3.194 5 40 IGBB Cc1[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1Cc1cccc([N+](=O)[O-])c1 10152748 IKGKXFOHXGIUPM-UHFFFAOYSA-N 433.449 3.424 5 40 IGBB Cc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12564013 NAZUGGILSROTLY-UHFFFAOYSA-N 433.512 3.232 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C)C2)c1 13137161 CRXLYMUWXKPWER-CQSZACIVSA-N 433.486 3.276 5 40 IGBB CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 13626242 IHGXQWDGNSOYBF-CIAFKFPVSA-N 445.475 3.463 5 40 IGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 59503318 JZZUZHSAIMFSJS-ISQHLFTMSA-N 441.399 3.380 5 40 IGBB CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 3166230 OGZZUZJQCUFIAQ-VBQJREDUSA-N 443.403 3.493 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] 30952150 GNNLJFLPAXZFGV-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461843 OFZYYPGCFHEDJK-UHFFFAOYSA-N 447.282 3.445 5 40 IGBB CCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409174414 SMGHMZXMUFVOPY-MDWZMJQESA-N 428.357 3.217 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 501788030 CHMZZHGOQVDVSC-QKKBWIMNSA-N 433.892 3.263 5 40 IGBB Cc1ccc(C(=O)N[C@H](C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C(C)C)cc1 9120364 BLLZMLWHAYCUDV-IBGZPJMESA-N 438.440 3.451 5 40 IGBB CCOC(=O)c1cc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907792 ZMGCXUBNFFAMNN-UHFFFAOYSA-N 443.456 3.259 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 10532346 LSXRWOPQBMTSRE-UHFFFAOYSA-N 425.363 3.468 5 40 IGBB CCn1c(COc2cccnc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 12734114 UNEJMRORNRDTNG-UHFFFAOYSA-N 445.501 3.113 5 40 IGBB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22348228 RWKCWQADDIPJEN-GOSISDBHSA-N 447.513 3.088 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 28498359 OTQANPHHUNUPED-UHFFFAOYSA-N 429.420 3.433 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)N1CCCC1 106763545 IYXXQUJCKQSUHD-JYRVWZFOSA-N 440.275 3.016 5 40 IGBB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544313 ARYJUEKDFBVSHJ-MRXNPFEDSA-N 435.502 3.404 5 40 IGBB Cc1c(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)cccc1[N+](=O)[O-] 8726073 USGZXEBSGUHGBX-UHFFFAOYSA-N 446.529 3.396 5 40 IGBB Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cccc1[N+](=O)[O-] 9140184 ACJVWVDGFGOGHN-UHFFFAOYSA-N 438.190 3.369 5 40 IGBB COc1cc(C(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)c([N+](=O)[O-])cc1OC 12765412 RUPXBDYOORGVSD-UHFFFAOYSA-N 437.855 3.363 5 40 IGBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124725 FHLVTDIAXITOPS-PDICVPPASA-N 440.499 3.057 5 40 IGBB O=C(Nc1cccc(Cl)c1)N1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 58159530 QLEOKAZPPGDCGT-UHFFFAOYSA-N 438.893 3.177 5 40 IGBB COc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1noc(C)n1 78808811 ZBUOFIQPLOCUGD-MRXNPFEDSA-N 438.849 3.016 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224932272 QNMLYQSVTGDENU-FQEVSTJZSA-N 446.529 3.378 5 40 IGBB CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2112718 IPESCDKHOHDSIF-REWPJTCUSA-N 432.480 3.417 5 40 IGBB biogenic CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 12619159 SWQXIIVHAJZJRE-MRXNPFEDSA-N 431.792 3.423 5 40 IGBB CS(=O)(=O)N(CC(=O)Nc1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1 223776645 UVZXUCRRMPGWAC-UHFFFAOYSA-N 425.466 3.251 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680819 GZIAMLRDXFJOOV-WZBLMQSHSA-N 437.427 3.322 5 40 IGBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9509686 CPZAQHPMFNBEEQ-UHFFFAOYSA-N 444.296 3.048 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 12371143 UUSAEQIJPLVPDS-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])c1 12515757 IVLSEYPPNADVFY-UHFFFAOYSA-N 446.529 3.137 5 40 IGBB O=C(c1ccc(F)c(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 25008840 FTOUDCCNCPPEKT-UHFFFAOYSA-N 444.438 3.071 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 101169179 RRLRTYLZAZPELC-DDOIHHOZSA-N 449.500 3.318 5 40 IGBB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 9465131 VGCDOCLQIIMSDN-ZDUSSCGKSA-N 449.460 3.284 5 40 IGBB C[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cn1cccn1 40118900 IYVSLZGQGAWKHI-AWEZNQCLSA-N 439.438 3.479 5 40 IGBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCN1CCCCC1 60379951 SXWGCZRXEYXHOF-UHFFFAOYSA-N 434.518 3.302 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 68846193 UCLAUUXOTSAUMF-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB CC1(C)Cc2cccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c2O1 12893498 JNFYBYHFHKSPTP-UHFFFAOYSA-N 434.470 3.122 5 40 IGBB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 20798690 OFPBYVLBXJZFIH-IBGZPJMESA-N 437.452 3.419 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 33890711 VCGRZUMRDRDWSA-MRXNPFEDSA-N 448.457 3.314 5 40 IGBB COc1ccccc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 58160389 FLVWNKYTVWSPSL-UHFFFAOYSA-N 449.305 3.127 5 40 IGBB CC[C@@H]1CN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])[C@H](CC)CN1C(C)=O 72310209 PPXHTLFNVFVMCL-CHWSQXEVSA-N 437.440 3.114 5 40 IGBB Cc1c(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)S(C)(=O)=O)cccc1[N+](=O)[O-] 220034996 ROMGKNACVCNKJI-MRXNPFEDSA-N 447.513 3.088 5 40 IGBB O=C(NC[C@H](c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 56896054 BZZBTOSAOKMWAB-HSZRJFAPSA-N 431.496 3.283 5 40 IGBB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538259 XPIJMVAAIQEDNA-GOSISDBHSA-N 433.486 3.289 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(I)cc([N+](=O)[O-])c1 4015650 XPQKVBHHWZMBLT-UHFFFAOYSA-N 443.153 3.369 5 40 IGBB CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 9544401 MWYDVKLIFZGTNL-UHFFFAOYSA-N 430.413 3.065 5 40 IGBB COc1ccc(Cl)cc1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 16959599 NVUBNWZGICGINN-UHFFFAOYSA-N 429.816 3.300 5 40 IGBB O=C(c1ccccc1)c1ccc(N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 84519312 JKVIXLFNUZOMND-FQEVSTJZSA-N 437.496 3.434 5 40 IGBB CC(C)OCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 101088467 LBRFUZMPWIQGPZ-UHFFFAOYSA-N 437.544 3.006 5 40 IGBB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224261923 UTUQLRWYGROLKG-IBGZPJMESA-N 443.500 3.234 5 40 IGBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225716891 FNIFXODQACYBEL-LJQANCHMSA-N 443.500 3.314 5 40 IGBB CN(CC(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 16694629 OYIFBTIPPLWZFC-UHFFFAOYSA-N 439.493 3.121 5 40 IGBB Cc1ccsc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 16742569 BHYGRPGBHVPMLJ-CYBMUJFWSA-N 428.919 3.448 5 40 IGBB O=C1N=C(O)[C@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@H]2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 15989841 GUDLRFKUINIPKG-WNRNVDISSA-N 438.827 3.326 5 40 IGBB CC1CCN(C(=O)[C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 25389878 BFXRTVRYUJVPFE-HNNXBMFYSA-N 428.455 3.383 5 40 IGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 30497061 MACPPWRBAOTMKS-INIZCTEOSA-N 434.470 3.291 5 40 IGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] 408673469 SHHWVTXMPNRACD-UHFFFAOYSA-N 442.424 3.341 5 40 IGBB COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1[C@@H](C(=O)OC)CC2 1744130 VTHYDVMQCWLZEO-PPGNKHEKSA-N 430.438 3.298 5 40 IGBB COC(=O)c1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc([N+](=O)[O-])c1 12943639 XSLPRBRMTMUAGG-UHFFFAOYSA-N 442.453 3.080 5 40 IGBB C[C@H](CCc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13130890 SEJUIEKSALSTOW-CQSZACIVSA-N 439.921 3.006 5 40 IGBB COc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)c([N+](=O)[O-])c1 26340948 CVZPURJKJCEVOS-MRXNPFEDSA-N 426.473 3.283 5 40 IGBB CC[C@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222527217 DENHAEXLQZNACL-HXUWFJFHSA-N 433.530 3.197 5 40 IGBB Cc1cccc2c1CCN2C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 604498026 QMQGBMZKAMNXOE-FQEVSTJZSA-N 429.498 3.036 5 40 IGBB CCN(Cc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 8704179 VAFZXTORWKKBOG-UHFFFAOYSA-N 449.529 3.423 5 40 IGBB CN(Cc1ccccc1)C(=O)/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)n1ccccc1=O 9635666 HQIZEFXOCRKHHM-YBFXNURJSA-N 433.420 3.142 5 40 IGBB CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409001304 HPBSWEOGLVOKLP-YWZLYKJASA-N 448.497 3.022 5 40 IGBB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 12564098 MGBMZIQXQYZTJF-LJQANCHMSA-N 426.429 3.269 5 40 IGBB CCC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 14410888 AWYTVTDHCVMSJW-INIZCTEOSA-N 449.529 3.412 5 40 IGBB Cc1cc(C)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 223434942 FPTLBRUIUYJDPH-KRWDZBQOSA-N 433.530 3.472 5 40 IGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NCC(C)C)c1 224425228 IDIAARIYTHATEN-KRWDZBQOSA-N 427.501 3.335 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 408557918 OUFZCUUKONXLND-MRXNPFEDSA-N 447.513 3.341 5 40 IGBB O=C(c1ccc(F)cc1)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 12429013 XHWOWCBEASDOBM-KRWDZBQOSA-N 446.454 3.426 5 40 IGBB Cc1nc(CN2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cs1 24766130 DFQLHLRYEUHXSR-UHFFFAOYSA-N 432.549 3.264 5 40 IGBB CC[C@@H](C(=O)NCCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540807 ZMSSVIHYAMSORQ-IBGZPJMESA-N 433.530 3.197 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(F)(F)F)cc1)S(C)(=O)=O 10331607 FXMBUVHKLSIYTJ-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB Cc1ccc2nc3nc(NC[C@H]4CCCO4)c(C(=O)NC4CCCCC4)cc3c(=O)n2c1 13151260 GRYLWIJORZIPNU-QGZVFWFLSA-N 435.528 3.205 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(CCOc2ccccc2)CC1 14899211 RNICKTBSGOWWCS-UHFFFAOYSA-N 441.531 3.378 5 40 IGBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 16216860 GYTDIXKUEGGGFI-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB COc1ccc(NC(=O)[C@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 17044968 HOMJHZYQMNVLEA-HNNXBMFYSA-N 427.457 3.390 5 40 IGBB Cc1ccc(Cn2c(=N)c(C(=O)NC3CCCC3)cc3c(=O)n4ccccc4nc32)cc1 100851376 BJVCBLIHAAPVRC-UHFFFAOYSA-N 427.508 3.158 5 40 IGBB CC(C)CC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108070201 GJZTXLVNAYFTRY-UHFFFAOYSA-N 433.578 3.154 5 40 IGBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(Cl)c1 218350224 PPMHKNNSGXFBIN-UHFFFAOYSA-N 436.248 3.445 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220624688 PRWLOLLNRKVUOQ-KRWDZBQOSA-N 441.893 3.440 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543937 KWRNJVXGJCGWQG-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB O=C(O)c1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 3100798 IPEYYTVGQLLAGL-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 8762493 HFUYQEBVCSJNCR-UHFFFAOYSA-N 431.514 3.039 5 40 IGBB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 100943214 DLMALLWDACOCFI-UNMCSNQZSA-N 442.431 3.386 5 40 IGBB Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)s2)cc1 225722794 FZDHWMHWHJJSAG-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2428016 NVNWPOKLCVOABA-UHFFFAOYSA-N 443.463 3.439 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 9223200 JGWRKEKGLQIRDK-CQSZACIVSA-N 426.853 3.217 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 13590695 BEQLEQCMELEBAT-OALUTQOASA-N 434.404 3.090 5 40 IGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1cc(C)on1 20068448 JNPXQJMPXSZRSD-OAHLLOKOSA-N 427.866 3.140 5 40 IGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686620 SFAVXCDROFFYSZ-AYBZRNKSSA-N 449.463 3.256 5 40 IGBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N1CCCC1 408697475 JQTZXTZMMBPROG-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1C[C@@H]1CCCO1 9461736 CLBHIVKDLXVXKG-HNNXBMFYSA-N 441.447 3.191 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1 32901240 VNSRRPXYXWHICQ-IBGZPJMESA-N 432.498 3.417 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Cl)cc2)CC1=O 408649487 KYPCDFIPFYTWHS-CYBMUJFWSA-N 432.816 3.036 5 40 IGBB CC(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 8917331 ORYBOOCQJVQWDK-HXUWFJFHSA-N 446.525 3.313 5 40 IGBB COc1ccc(CN2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1F 25797074 QWVLLWPVOLWXDW-UHFFFAOYSA-N 436.871 3.152 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 95441118 ORYKPICNNXAJIF-QFBILLFUSA-N 437.493 3.077 5 40 IGBB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020987 WIORNZUMFKQGTN-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB O=C(CN1C(=O)N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 409213253 RZZNYFJTFOETSA-XDHOZWIPSA-N 449.398 3.056 5 40 IGBB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3383899 GFBPVGUOHBGGBT-UHFFFAOYSA-N 440.193 3.303 5 40 IGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)n1 6142121 MVROGZGSQOFUFS-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 8945735 YUHBIACKNVZKDC-UHFFFAOYSA-N 443.799 3.403 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 8980925 HSPCARNPVFWFKZ-YLJYHZDGSA-N 449.573 3.485 5 40 IGBB O=C(Nc1ccccc1CN1CCSCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 58138851 AHSQQTBQLUNCPG-UHFFFAOYSA-N 442.541 3.233 5 40 IGBB CCOc1ccccc1CN(C[C@H](C)O)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 84810994 LWDXBRHNLLTLFP-INIZCTEOSA-N 438.484 3.345 5 40 IGBB COC(=O)Cn1/c(=N/C(=O)c2ccc3ncsc3c2)sc2cc([N+](=O)[O-])ccc21 100876533 YQXXFGDUOIJILX-ZZEZOPTASA-N 428.451 3.135 5 40 IGBB CC[C@H](C(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1)C(C)C 104176412 BJBWPCDPXOZHOF-SSAGGAPPSA-N 430.565 3.296 5 40 IGBB Cc1cc(=O)c(C(=O)Nc2ccnc(-c3ccccc3)n2)nn1-c1ccccc1[N+](=O)[O-] 84072181 YZZKJKIOFKXTSH-UHFFFAOYSA-N 428.408 3.158 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224831494 XJGWGCGAHYPBMD-MRXNPFEDSA-N 449.529 3.070 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(C)c3OC)CC2)c([N+](=O)[O-])c1 408573880 PRHVLJKEKPRTBU-UHFFFAOYSA-N 427.457 3.051 5 40 IGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 9373462 MMFUZPZMPBZQBD-SFHVURJKSA-N 428.470 3.044 5 40 IGBB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 9540030 JTTRHRQAJJAQJY-LJQANCHMSA-N 426.429 3.269 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 9562464 GZMOEDMOHBHDHA-UHFFFAOYSA-N 436.490 3.071 5 40 IGBB O=C(O)c1ccc(N2C(=O)C=CC2=O)cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 22059362 KNFQJMQMVDKTPU-UHFFFAOYSA-N 427.368 3.398 5 40 IGBB in-vitro O=C(COc1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23558162 GGYRRKUMVDJFAZ-UHFFFAOYSA-N 427.354 3.480 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)Cc1ccccc1 103627996 HPGPJTDUZABDMZ-VYIQYICTSA-N 444.491 3.077 5 40 IGBB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 223378694 NYEUTFTXJVGSSD-DNVCBOLYSA-N 449.529 3.334 5 40 IGBB Nn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 9452518 GASWGFHVSMFQCO-UHFFFAOYSA-N 439.432 3.071 5 40 IGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 9539851 DNEFDJMOGGBQIA-UHFFFAOYSA-N 435.436 3.380 5 40 IGBB COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 10324044 FFAGTEGWWNASSJ-NSHDSACASA-N 427.866 3.050 5 40 IGBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(Cc3csc4ccccc34)CC2)c1 25753558 DASOONVMVAVIOB-LJQANCHMSA-N 427.526 3.367 5 40 IGBB CC(C)c1ccc(CN2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 32504644 XVWYOVZBAQXOER-UHFFFAOYSA-N 438.528 3.183 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1[N+](=O)[O-] 101533999 PZIQMTLYSMCNCR-TVFCKZIOSA-N 445.388 3.205 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408682157 JBYZDOARCHERDW-QFIXIFRTSA-N 447.447 3.032 5 40 IGBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)NC(C)(C)C 16688912 KJIHWHZDWOVTQL-UHFFFAOYSA-N 444.532 3.489 5 40 IGBB COc1ccc(CCn2c(C)cc(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C)cc1OC 22714904 KBHPLTDXKFNCQW-UHFFFAOYSA-N 439.468 3.318 5 40 IGBB CCOC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113877785 RCJHSHVTRCXQGO-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB C[C@@H]1CCC[C@H](NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 245232201 QLBMSDRPDWYIAK-KUDFPVQQSA-N 435.480 3.497 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)Nc1cccc2ccccc12 408671351 XXRNOQLSBFBOMV-MRXNPFEDSA-N 433.420 3.283 5 40 IGBB CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355760 KFRUCTWCVMITGB-UHFFFAOYSA-N 433.486 3.033 5 40 IGBB C[C@H]1CCc2c(sc3nc4c5ccccc5c(NCCN5CCOCC5)nn4c(=O)c23)C1 21548822 CHPARBDWAZNSEQ-HNNXBMFYSA-N 449.580 3.326 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(C(=S)NCCSc3ccc(Cl)cc3)CC2)cn1 40073257 SVEQYYAPDSRXMV-UHFFFAOYSA-N 437.978 3.432 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 408652132 OMCYWQXKTBCRSX-KDURUIRLSA-N 435.436 3.010 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408660629 WPXUOCRRRDSUKQ-YSGRDPCXSA-N 447.447 3.175 5 40 IGBB COc1cc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)c([N+](=O)[O-])c(OC)c1OC 12759261 CBSKMPLAGNQNKN-HNNXBMFYSA-N 437.880 3.307 5 40 IGBB O=C([C@@H]1Cc2ccccc2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 48289177 NMBGHJVOEHLLHQ-FQEVSTJZSA-N 433.468 3.194 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 102084210 LMFYXGMENIJJRZ-UFOPBENGSA-N 429.432 3.405 5 40 IGBB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224769286 AOYSIALZCJVASO-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@@H](C)C2 845109 JUGGLJBRVKDULD-MRVPVSSYSA-N 426.882 3.365 5 40 IGBB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 9227574 FKBGWHBWZCDNGS-UHFFFAOYSA-N 441.893 3.296 5 40 IGBB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 9974805 QUHUFSNKCSSYBO-INIZCTEOSA-N 447.513 3.260 5 40 IGBB CCOc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16693174 IWUNXHRVUZZKKR-UHFFFAOYSA-N 448.932 3.484 5 40 IGBB COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17096890 GEMXJFYEZVCYTM-UHFFFAOYSA-N 430.486 3.339 5 40 IGBB COc1cc(CCNC(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])cc1OC 32862554 WQGAIMCAGFYKTR-OAHLLOKOSA-N 439.472 3.401 5 40 IGBB COc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1[N+](=O)[O-] 1561717866 LPJRUILRZSBBTA-UHFFFAOYSA-N 446.312 3.421 5 40 IGBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC(=O)Nc1ccccc1F 10723026 XHMSXSSIBXABLY-UHFFFAOYSA-N 447.422 3.185 5 40 IGBB C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(Cc2ccccc2)CC1 22024849 MZTSYDOMEBPGFN-HNNXBMFYSA-N 431.876 3.138 5 40 IGBB COc1ccc2cc(CNS(=O)(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)ccc2c1 32895822 HBIXGFVUDZPEMK-UHFFFAOYSA-N 444.465 3.396 5 40 IGBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC(=O)N3)cc1 40400491 XMXQBJORQQWRGZ-HNNXBMFYSA-N 448.439 3.103 5 40 IGBB CCCCN1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O 101444969 IHGXQWDGNSOYBF-KJJMTIBFSA-N 445.475 3.463 5 40 IGBB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 138538442 TYQUDJMWECZEOO-UHFFFAOYSA-N 429.429 3.203 5 40 IGBB CCOc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 222612783 IYKSGWHEHOVDJR-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224972085 WGKQOPJQOUUVKC-INIZCTEOSA-N 446.529 3.378 5 40 IGBB CCOc1ccccc1-n1nnnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9612675 QLDPUAVTDIAYOS-UHFFFAOYSA-N 425.430 3.312 5 40 IGBB COc1cc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 11024731 LAWJCXVXEJCIHP-UHFFFAOYSA-N 431.470 3.366 5 40 IGBB O=[N+]([O-])c1cccc(-c2csc(N3CCN(S(=O)(=O)c4cccs4)CC3)n2)c1 12428910 CNVPJPQJNJSMDU-UHFFFAOYSA-N 436.540 3.291 5 40 IGBB COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1 15168963 BOQDGXLETFSVOT-OAQYLSRUSA-N 448.545 3.103 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 71853706 FKKVHTPYIKSLPJ-UHFFFAOYSA-N 439.449 3.318 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408688691 WSPYQTAPFBHKPE-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2C)c([N+](=O)[O-])c1 6245353 XTJOHRZAKMWZMQ-UHFFFAOYSA-N 442.501 3.383 5 40 IGBB CCOC(=O)Cc1csc(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1 9630808 JNISOQOEZPDOGC-UHFFFAOYSA-N 425.488 3.205 5 40 IGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1 28698751 XMPVTKWQBGMQGR-GFCCVEGCSA-N 427.442 3.006 5 40 IGBB COc1cc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc(OC)c1OC 2110572 GKBZWIFQAGWDFG-INIZCTEOSA-N 444.504 3.396 5 40 IGBB biogenic COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 8445737 UAVVZVVJVNZLBY-UHFFFAOYSA-N 429.458 3.042 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 10059895 CNLFCBSPNOYLSI-JXMROGBWSA-N 438.484 3.175 5 40 IGBB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 16490474 MCWWIQRVGNBCCM-UHFFFAOYSA-N 427.438 3.413 5 40 IGBB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Cl)c1 35213118 UGLDNBFHIUBBIW-UHFFFAOYSA-N 441.893 3.262 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(c2nc3ccccc3[nH]2)C1 79102858 CFGPKASEMZOWND-UHFFFAOYSA-N 426.376 3.368 5 40 IGBB O=C1[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1 100896257 BQUOUFFAFFJOTE-BHIFYINESA-N 428.448 3.215 5 40 IGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546618 AVDSDRUZJZQDPB-RHSMWYFYSA-N 435.502 3.025 5 40 IGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)cccc1[N+](=O)[O-] 408562139 NDZOJIKINACINM-UHFFFAOYSA-N 441.893 3.261 5 40 IGBB Cc1cc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 15952208 ZKPYSZINGAYBRR-UHFFFAOYSA-N 427.457 3.152 5 40 IGBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727623 XNZVMLWRHKTYTQ-OCCSQVGLSA-N 440.387 3.441 5 40 IGBB NC(=O)c1ccc(N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)c([N+](=O)[O-])c1 32841292 AZCZHYCYWBFWAA-GFCCVEGCSA-N 434.378 3.139 5 40 IGBB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 32999812 LFJRZOLGYJLFJC-NHCUHLMSSA-N 441.528 3.497 5 40 IGBB Cc1c([C@@H](C)NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40071068 UITUUBIYJPASQC-CYBMUJFWSA-N 435.419 3.300 5 40 IGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ncc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 226248870 QNIFPTKEVXFCDG-UHFFFAOYSA-N 429.099 3.221 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 12556362 SQOGZPAUYIFRGW-NRFANRHFSA-N 438.484 3.122 5 40 IGBB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 20153061 SCLLZVNLGBMZOC-UHFFFAOYSA-N 442.497 3.339 5 40 IGBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 21129674 FQOQHJRKENRZNZ-VXGBXAGGSA-N 449.822 3.311 5 40 IGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCN(Cc2ccccc2)CC1 40017424 QESLYIICLVOUHP-UHFFFAOYSA-N 438.484 3.017 5 40 IGBB O=C(O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 828935 LZVLATDDPLKDJU-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)n1 9354763 URGWDTGXDOXMOY-NYYWCZLTSA-N 439.453 3.146 5 40 IGBB O=c1[nH]c(/C=C\c2ccc(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c(=O)[nH]1 30840448 PGHZLOLSSYIAHA-VURMDHGXSA-N 444.241 3.483 5 40 IGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1COc2ccccc2O1 30996687 PAFSETUPOXTVHP-CYBMUJFWSA-N 440.378 3.165 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100555647 GYUVJWXUBXFNJA-LATRNWQMSA-N 448.431 3.170 5 40 IGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 409365796 OTBFOTLAGNKPEU-LICLKQGHSA-N 443.437 3.287 5 40 IGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NCc1cccs1 9512024 DNFPEAJASTYVJT-JTQLQIEISA-N 431.392 3.335 5 40 IGBB CC[C@@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 11692084 RKAOYDIYRXCCGW-GFCCVEGCSA-N 445.479 3.423 5 40 IGBB CC(C)NS(=O)(=O)c1ccc(N2CCC[C@H]2CN(C)c2ccccc2)c([N+](=O)[O-])c1 58157289 KAKQGUIAUHZEBL-SFHVURJKSA-N 432.546 3.387 5 40 IGBB Cc1c(F)cc(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)cc1[N+](=O)[O-] 72303740 DXKAJFZSPPFVIU-UHFFFAOYSA-N 430.841 3.371 5 40 IGBB O=C1[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 102707717 WBDAZJPYKCQBNH-PWRODBHTSA-N 431.404 3.352 5 40 IGBB CCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12 11692088 FHDNZKRYHAPAGX-UHFFFAOYSA-N 430.420 3.231 5 40 IGBB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12592042 CSTTYEZYKPEGCD-SFHVURJKSA-N 446.916 3.400 5 40 IGBB O=C(Nc1ccc(Cn2cc(Br)cn2)cc1)c1n[nH]c([N+](=O)[O-])c1Cl 17094592 RMKQVEDTACWKQZ-UHFFFAOYSA-N 425.630 3.231 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411256 DLSVXLIMKNJFIX-VQIMIIECSA-N 435.440 3.040 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(N[C@@H](c3ccccc3)C3CC3)c([N+](=O)[O-])c2)CC1 35292566 YQENXQMZUSDLLO-NRFANRHFSA-N 430.530 3.094 5 40 IGBB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 223547340 KYJYVMYIXWOUTJ-OAHLLOKOSA-N 433.530 3.191 5 40 IGBB Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 408655209 LMQMFRZBLYKTNZ-INIZCTEOSA-N 425.441 3.055 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408687210 TWVCWZIBZPCVAY-IEBWSBKVSA-N 447.447 3.176 5 40 IGBB CCN(C1CC1)S(=O)(=O)c1c(C)nn(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)c1C 534765034 QJDYLMQCSWVQJD-UHFFFAOYSA-N 445.501 3.284 5 40 IGBB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902560 VVLYXXCKUPMLIT-UHFFFAOYSA-N 436.262 3.211 5 40 IGBB CCn1c(C)cc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217749 WJUQLUKNAFZWTB-UHFFFAOYSA-N 439.468 3.166 5 40 IGBB COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 10362677 YSFBJJRNELXBGB-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB CSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 20029158 AYVWYHDQZPYMFW-UHFFFAOYSA-N 442.570 3.297 5 40 IGBB C[C@@H]1Cc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2N1S(C)(=O)=O 12777639 HYQFXVGLAOWTOB-GFCCVEGCSA-N 437.905 3.231 5 40 IGBB CCOc1ccc([C@@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCOCC2)cc1OC 12797185 VXNONHYTNZLXOA-HXUWFJFHSA-N 443.500 3.114 5 40 IGBB CCC(=O)Oc1cn(CCCN2CCOCC2)c2nc(CC)n3c4ccccc4nc3c12 19897592 SWLKLHLHBSIZLL-UHFFFAOYSA-N 435.528 3.437 5 40 IGBB O=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102690725 GOHDMJMWXUVVEM-KZNAEPCWSA-N 447.278 3.437 5 40 IGBB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc([N+](=O)[O-])c1 8828339 LZKKIFRJBZMUPV-CVEARBPZSA-N 441.387 3.226 5 40 IGBB CCOc1ccc([C@@H](C)NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 10978275 MBAGCIAINBITGC-MRXNPFEDSA-N 440.500 3.153 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc3C2)cc1 22907200 UZLYQAIWRXXCJX-FQEVSTJZSA-N 427.482 3.266 5 40 IGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 36332847 ATWQAAQIKJQUBD-FRFSOERESA-N 441.502 3.159 5 40 IGBB CCc1cc(N2CCC(N(C)CC(=O)NC(C)C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282890 VKNKHNVBEMEBCT-UHFFFAOYSA-N 440.548 3.039 5 40 IGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)o1 108997343 NLCDVCIIYHHMIK-GDNBJRDFSA-N 437.364 3.327 5 40 IGBB Cc1c(NC(=O)CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)cccc1[N+](=O)[O-] 12643193 YQPSHYQNIBWNCJ-NRFANRHFSA-N 438.484 3.122 5 40 IGBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222853244 JJTXOAVEQSHSBZ-HXUWFJFHSA-N 427.501 3.478 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222988149 JBLRCQBIRCCMKJ-AWEZNQCLSA-N 448.317 3.453 5 40 IGBB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32774233 SJFQASQMDSZKMG-MRXNPFEDSA-N 427.457 3.232 5 40 IGBB CCC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57671844 DORZDLUXWBDSTF-QFIPXVFZSA-N 435.532 3.487 5 40 IGBB CCOCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 100873680 LJSGKYPFJBIPKU-XDOYNYLZSA-N 428.470 3.347 5 40 IGBB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 101345785 STBMWAAWDGFORN-VGSWGCGISA-N 449.573 3.423 5 40 IGBB CCc1ccc(NC(=O)[C@H](CC)N(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222546040 BJCGCXWJFWCEDU-KRWDZBQOSA-N 435.502 3.349 5 40 IGBB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222780539 BRSNDEWCDAWDEE-HZPDHXFCSA-N 433.530 3.498 5 40 IGBB CCCc1nc(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(=O)O)n[nH]1 408631330 HQKWGLMKTSZMLW-YHYXMXQVSA-N 429.252 3.351 5 40 IGBB CCOc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408661702 BXMDBVSZQCIZOZ-UHFFFAOYSA-N 429.429 3.284 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1 9714626 QFLWDYMRLXXURS-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB O=C(Nc1nnc(Cc2ccccc2)s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9782874 IETYNDYHWAOSJI-UHFFFAOYSA-N 425.470 3.126 5 40 IGBB CCC[C@@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 14410884 AWYTVTDHCVMSJW-MRXNPFEDSA-N 449.529 3.412 5 40 IGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581041 OZOOYIVANYTWRP-XXBNENTESA-N 447.491 3.450 5 40 IGBB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533027 TVESEMKTYUPBAO-QGZVFWFLSA-N 435.502 3.485 5 40 IGBB O=C(/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 3325182 JQSRIOAWZDXAIH-BJMVGYQFSA-N 445.428 3.457 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1C 9464049 LBKQRFWZXQZYRQ-UHFFFAOYSA-N 437.905 3.012 5 40 IGBB CCOc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1 9518177 VDMWKEPHVYQCDK-UHFFFAOYSA-N 441.469 3.204 5 40 IGBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl 12564745 QWVAVQOIIJOFKD-LBPRGKRZSA-N 428.704 3.008 5 40 IGBB COc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] 12750204 DCHIVAKGCJXRNE-UHFFFAOYSA-N 426.425 3.110 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12 15391506 HYZDUYXTBZOZLL-UHFFFAOYSA-N 439.446 3.155 5 40 IGBB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 35323487 UWQWAPGUQNXHOL-NWDGAFQWSA-N 437.283 3.121 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224669987 ZZDRVNZIRWZONL-HNNXBMFYSA-N 447.463 3.063 5 40 IGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)NCc1ccco1 12492179 JBWBGIHMLVGZRD-KRWDZBQOSA-N 443.485 3.034 5 40 IGBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 15168109 VWTKURZAQWHRID-HNNXBMFYSA-N 434.518 3.252 5 40 IGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)nn1 15880833 HQFYYESPLDNABD-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(CCN1CCOCC1)C1CCCC1 48290577 VHVBNJSEYWFDOZ-UHFFFAOYSA-N 433.552 3.258 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c(NC(C)=O)sc(C)c1C 2629308 JRGVTOFGEGWHFQ-SNVBAGLBSA-N 435.458 3.424 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)cc1 3008557 KDFPPBDGCRHFFP-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1F 3769736 SUTWCVAGCYNDMY-SOFYXZRVSA-N 445.384 3.138 5 40 IGBB biogenic,in-vitro COc1ccccc1NC(=O)CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12 9829062 QHKXIVMQGKVEFD-UHFFFAOYSA-N 436.453 3.439 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O 10331470 VSZNANIFGSWJHV-UHFFFAOYSA-N 435.502 3.306 5 40 IGBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13659487 WBDAZJPYKCQBNH-NJDAHSKKSA-N 431.404 3.352 5 40 IGBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154335 VMRMSFPTRPYSCE-UHFFFAOYSA-N 425.272 3.329 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 35387280 WWYHLQXZBCVGAG-UHFFFAOYSA-N 439.472 3.456 5 40 IGBB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 220341248 MRPPWYJGDOUDEV-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB CSc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220069450 JKYMLOJEATTYMU-UHFFFAOYSA-N 429.907 3.375 5 40 IGBB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548133 JQTKADNQAWYVBJ-KRWDZBQOSA-N 447.513 3.127 5 40 IGBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223881824 INDUYIIBGCQTCA-OAHLLOKOSA-N 447.463 3.065 5 40 IGBB Cc1[nH]nc(O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1c(O)n[nH]c1C 409046406 KLJAQUZJCPETFA-UHFFFAOYSA-N 439.384 3.207 5 40 IGBB CCCCn1c(SCC(=O)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 2656303 KDBXCFULDPTYHI-UHFFFAOYSA-N 440.481 3.154 5 40 IGBB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 3320202 IMPPMDCZRTZTRT-UHFFFAOYSA-N 445.431 3.457 5 40 IGBB CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@]1(C)O 4111600 KJUOOIWMFCZXRI-OVCNXMPXSA-N 449.500 3.318 5 40 IGBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 8952384 RIAKVBFDHGQCRH-SXGWCWSVSA-N 432.410 3.463 5 40 IGBB O=C(NC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1)Nc1cccc([N+](=O)[O-])c1 58162254 GYCUIZQYRGTHBW-KRWDZBQOSA-N 428.405 3.225 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCCC1)c1cccc([N+](=O)[O-])c1 222362764 SCLRHBCSYVCHEU-UHFFFAOYSA-N 443.591 3.323 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 408636992 FBKVZWJKVPBLKA-ZDUSSCGKSA-N 447.241 3.136 5 40 IGBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 16483506 HNJSJCSBLHSXIO-NRFANRHFSA-N 432.484 3.195 5 40 IGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 59503314 UJFBUFVFZRRQHV-ISQHLFTMSA-N 441.399 3.380 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 408702158 KGZVOPHEGCKBAX-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccccc2C(=S)N2CCOCC2)cc1[N+](=O)[O-] 13590268 AISMRJDXVLPAOY-UHFFFAOYSA-N 431.426 3.038 5 40 IGBB COC(=O)c1sc(NC(=O)CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 15549131 YIZWUJRAGIRCCQ-GFCCVEGCSA-N 449.485 3.169 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868964 ZPKHAQBVQPWPHP-LLVKDONJSA-N 429.907 3.349 5 40 IGBB CC(=O)Nc1ccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)cc1 36125601 PMAFSCYYNURKTB-UHFFFAOYSA-N 437.459 3.102 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 17975824 KHHPTXFRMFAHBB-RTBURBONSA-N 434.404 3.090 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1 25230466 IOYKMXGBHKKQNA-UHFFFAOYSA-N 443.478 3.278 5 40 IGBB CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 36542239 XTYQJDDJSCXYNN-XVWGUNQUSA-N 428.448 3.366 5 40 IGBB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)n[nH]2)c1 408550544 DGURVLRWNNLECL-UHFFFAOYSA-N 445.457 3.137 5 40 IGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc([N+](=O)[O-])cc1 409329297 DMADMUOGFAIROF-UITAMQMPSA-N 440.368 3.462 5 40 IGBB Cc1nn(CC(=O)Nc2c(F)c(F)c(Br)c(F)c2F)c(C)c1[N+](=O)[O-] 2113258 WXUNTNUQHXSSTN-UHFFFAOYSA-N 425.136 3.366 5 40 IGBB C[C@](O)(CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccco1 72304244 LFFPTSHUCSTGJT-IBGZPJMESA-N 441.406 3.447 5 40 IGBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408663619 AQNVBGOLNUORSY-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O 408689876 ZGTYPIJGODLINA-UHFFFAOYSA-N 446.803 3.253 5 40 IGBB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 9540031 JTTRHRQAJJAQJY-IBGZPJMESA-N 426.429 3.269 5 40 IGBB Cc1ccccc1-c1noc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 32910992 KGZXYEWGRIZSTL-UHFFFAOYSA-N 444.469 3.317 5 40 IGBB O=c1c2cc(Cl)ccc2ncn1CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 57315446 ZUMRZDHNAOPOIU-UHFFFAOYSA-N 434.283 3.391 5 40 IGBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 218266623 MEDDCTWMVCNTRQ-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 222604582 QFPIJKGPCLPTPY-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(c2ccccc2F)CC1 8861206 FSOLFMJCXDACCR-UHFFFAOYSA-N 433.383 3.354 5 40 IGBB O=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 40090755 XVCYNJXMPJNDGX-HXUWFJFHSA-N 440.891 3.396 5 40 IGBB CCOc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218293803 ATVSHVOPWGJFGL-LBPRGKRZSA-N 441.893 3.440 5 40 IGBB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225073305 NSHYAPPOAPRQQB-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(C)cc2)sc2cc([N+](=O)[O-])ccc21 12237955 MTSRMMRFJFMLGY-FMQUCBEESA-N 433.511 3.231 5 40 IGBB O=C(NCc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 13562931 YJBUOOIEGSTQTC-UHFFFAOYSA-N 434.408 3.363 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(C)c1 103001041 SFOLLABUABFOHL-HPNDGRJYSA-N 444.491 3.456 5 40 IGBB COc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 16809165 AIMCPSRTIXSDND-LQDNNDEMSA-N 426.428 3.480 5 40 IGBB O=[N+]([O-])c1ccc(OCc2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1 19904951 LPHANDAHCUVPCZ-UHFFFAOYSA-N 441.513 3.179 5 40 IGBB CCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 20798694 OFPBYVLBXJZFIH-LJQANCHMSA-N 437.452 3.419 5 40 IGBB COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3Cl)CC2)cc1 32753056 VCZNZFXVHFKZEC-UHFFFAOYSA-N 425.894 3.076 5 40 IGBB O=C1NN=C(c2ccc([N+](=O)[O-])cc2)[C@@H]1n1nc(-c2ccccc2)c2ccccc2c1=O 102916286 XUWPFLFLMRZOLL-NRFANRHFSA-N 425.404 3.047 5 40 IGBB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 408587419 BUWUTTZYOMEKGX-GFCCVEGCSA-N 441.893 3.261 5 40 IGBB O=C(COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 3346605 RRQOGKVDHQRGLO-UHFFFAOYSA-N 446.462 3.497 5 40 IGBB CCOC(=O)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 8824378 ITKCFFJIMDBNFB-UHFFFAOYSA-N 427.442 3.304 5 40 IGBB COc1ccc(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC 15209414 KJRIKRTYYUDDSG-UHFFFAOYSA-N 435.502 3.051 5 40 IGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc(-n2cnc3ccccc32)cc1 24348902 GNCPDTMTTDHKEV-UHFFFAOYSA-N 443.419 3.298 5 40 IGBB CC(C)COC[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccco1 58178771 SJRWVFNUNZSYOL-MRXNPFEDSA-N 431.445 3.406 5 40 IGBB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 84714547 ZBCCQWRJRFLURP-DYVFJYSZSA-N 440.466 3.429 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(C)c1 408651024 AMEIFBORRCWTQC-INIZCTEOSA-N 425.441 3.055 5 40 IGBB CCn1c(SCC(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nnc1-c1ccco1 9546010 OGHUYHWKTUDHSH-UHFFFAOYSA-N 445.457 3.049 5 40 IGBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 27841063 FIRPBMSGQNXDBV-UHFFFAOYSA-N 448.932 3.484 5 40 IGBB COCc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224855122 OFSKDNVBARRESM-UHFFFAOYSA-N 435.502 3.235 5 40 IGBB O=C(O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010400 BJPXRQKIDYHNRA-UHFFFAOYSA-N 449.666 3.291 5 40 IGBB COc1cc(NC(=O)CSc2nnc(COc3ccccc3F)o2)ccc1[N+](=O)[O-] 408551333 HIRBQQRZEJAKGT-UHFFFAOYSA-N 434.405 3.435 5 40 IGBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCC1 2720955 OFVYFOQPSGUJLL-UHFFFAOYSA-N 449.492 3.490 5 40 IGBB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 8718322 WQGSCOBOVJPNEV-FQEVSTJZSA-N 449.366 3.030 5 40 IGBB CCOC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2 9090596 IWYLXNWAPRPBRN-UHFFFAOYSA-N 445.497 3.411 5 40 IGBB Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 9707393 RUKFJLAWMDWYFZ-UHFFFAOYSA-N 436.449 3.403 5 40 IGBB Cc1ccc(C(C)C)cc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 12871039 PIXPXKPJASBVJF-UHFFFAOYSA-N 442.515 3.045 5 40 IGBB CCOc1cc(C(=O)OCc2cc(=O)oc3cc(OC)ccc23)c([N+](=O)[O-])cc1OC 19473374 MVFZNBMGZCHSKP-UHFFFAOYSA-N 429.381 3.474 5 40 IGBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncccc3O)cc2)cc1[N+](=O)[O-] 36619910 PWBTYRSWNTWKGP-UHFFFAOYSA-N 428.426 3.057 5 40 IGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2F)cc1[N+](=O)[O-] 224786321 SGGJQGJFLAJCNA-UHFFFAOYSA-N 447.238 3.085 5 40 IGBB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cc(Br)ccc21 8921837 RRELASJBRXAYLY-LJQANCHMSA-N 449.257 3.193 5 40 IGBB C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032896 ZGKWRZXILZGFOV-KZULUSFZSA-N 434.855 3.500 5 40 IGBB COc1cccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCC(=O)O 215028356 TUMNYAWWEQHDEE-CXUHLZMHSA-N 444.421 3.303 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 260592275 SEYACIYYNQCSDC-KXBFYZLASA-N 431.514 3.252 5 40 IGBB C[C@H]1CN(c2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1 5150525 IMLIBDXSSRQGJJ-HOTGVXAUSA-N 426.521 3.040 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 8449435 GYUVJWXUBXFNJA-YQMDMEMYSA-N 448.431 3.170 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(I)cc1 19642674 SUJADBRDPDQARJ-UHFFFAOYSA-N 445.213 3.465 5 40 IGBB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113875893 YBPNKYUDOIHMDM-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB C[C@H](C(=O)NCCCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220416004 TZKKIGQJSYSCJC-CQSZACIVSA-N 439.921 3.152 5 40 IGBB COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1Br 224884918 FXLLQFUQHOOCFI-UHFFFAOYSA-N 431.264 3.200 5 40 IGBB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 260805368 BRSNDEWCDAWDEE-HOTGVXAUSA-N 433.530 3.498 5 40 IGBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@H](C)O1 5164574 SLBGURDKOXNUOG-HOTGVXAUSA-N 426.521 3.040 5 40 IGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC[C@@H]1COc2ccccc2O1 9120773 MOEGWNUQLMSJQT-WCQYABFASA-N 425.363 3.370 5 40 IGBB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9666548 MYKGZDFWPCOADB-FQEVSTJZSA-N 438.440 3.072 5 40 IGBB CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 10285426 LKHUPFQVKYWUDH-UHFFFAOYSA-N 425.466 3.453 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716524 HYKCDCUUHVCYJC-GOSISDBHSA-N 435.502 3.404 5 40 IGBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 32747511 RBOYKFXQYDOZKY-ZDUSSCGKSA-N 425.363 3.372 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408683185 KRPRUTYGAATPCA-FYINFDKHSA-N 447.447 3.032 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(OC)c1)S(C)(=O)=O 220624752 PRWLOLLNRKVUOQ-QGZVFWFLSA-N 441.893 3.440 5 40 IGBB O=C(c1cccc(I)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 10034849 YZQULEPKHCNRDN-UHFFFAOYSA-N 437.237 3.162 5 40 IGBB COc1ccc(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1[N+](=O)[O-] 2649655 VDSFDZDVJLYVKR-SNVBAGLBSA-N 429.454 3.383 5 40 IGBB CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 9509947 FOWCRZJUUWYJDX-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB COc1cc(COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1OC(F)F 25374235 FARJNMDLDJTVPN-UHFFFAOYSA-N 438.383 3.398 5 40 IGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 40717780 LQWYLEAUNYPQEL-UHFFFAOYSA-N 440.500 3.307 5 40 IGBB CC(=O)NCCN(C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](C)C(=O)OC(C)(C)C 96004672 HGDVNVWKMPEULR-CQSZACIVSA-N 445.472 3.163 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)cc1 102920960 GUELINWOKBIXSG-HPNDGRJYSA-N 444.491 3.456 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)cc1 224872623 MMSDRWMTUYHOEY-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB O=C1Nc2ccccc2S[C@@H]1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12553050 JFWZHQKTLZIUNV-GOSISDBHSA-N 446.916 3.400 5 40 IGBB O=c1c2c3c(sc2nc2c4ccccc4c(NCCN4CCOCC4)nn12)CCCC3 21548816 VFQWLDFORJAOBF-UHFFFAOYSA-N 435.553 3.080 5 40 IGBB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1C1CC1 12635180 OEPMGDWPUXMEFG-UHFFFAOYSA-N 447.513 3.394 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)nc1 14328939 RLAFOPFKQPIIIK-UHFFFAOYSA-N 434.378 3.381 5 40 IGBB CCc1nc(N)sc1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 95443949 VQHHPGSLBUEXIO-ZETCQYMHSA-N 432.380 3.399 5 40 IGBB CCCn1/c(=N\C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176325 DQRMEAGVCWDTON-QYQHSDTDSA-N 444.491 3.285 5 40 IGBB COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1O 409229113 JYTCHRHNTLQTMX-GIDUJCDVSA-N 447.400 3.123 5 40 IGBB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3Cl)C2=O)c([N+](=O)[O-])cc1C 8885284 LQHHLRBPNKPDOY-HXUWFJFHSA-N 430.848 3.271 5 40 IGBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408652442 ONRYBPJSAXVKLG-HOCLYGCPSA-N 426.425 3.079 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1C 408654960 HBEOVZPQTRTWDK-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB O=C(CCS(=O)(=O)c1ccccc1Cl)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3303450 IPYKVNISDWRKQY-UHFFFAOYSA-N 441.845 3.022 5 40 IGBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccccc1 9053820 IXCXKTJQLRBPDE-CVEARBPZSA-N 447.513 3.024 5 40 IGBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1[N+](=O)[O-] 10153432 AGPGMJCGKYTUNN-HNNXBMFYSA-N 426.820 3.337 5 40 IGBB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])cc1OC 13109537 DSOGHXYYULAIGH-UHFFFAOYSA-N 449.485 3.039 5 40 IGBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)Nc1nccs1 13811415 QJVTWIFZYIDFHM-UHFFFAOYSA-N 442.555 3.053 5 40 IGBB CN1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 17098666 ZVEITFHPMWHZPK-UHFFFAOYSA-N 433.921 3.127 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 19933901 UNOUWBCGSZYJRG-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1[N+](=O)[O-] 40139099 PFLMWMYPYMXKEU-UHFFFAOYSA-N 428.426 3.052 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57466753 VBFPNNNUSHVOQL-MRXNPFEDSA-N 435.484 3.301 5 40 IGBB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223144559 WNBRSMCWECODNI-KRWDZBQOSA-N 449.891 3.189 5 40 IGBB COCc1cc(C)nc2sc3c(=O)n(CCO)c(-c4ccccc4[N+](=O)[O-])nc3c12 12445638 KFOIIIXMUZMBJU-UHFFFAOYSA-N 426.454 3.029 5 40 IGBB COc1cc(Cl)c(C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 9128844 HCMRJLJVRLCCAK-UHFFFAOYSA-N 434.865 3.492 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3Cl)cc2[N+](=O)[O-])CC1 12563795 GPCXGPAGRBBIDV-CQSZACIVSA-N 430.892 3.408 5 40 IGBB Nc1nc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2ccccc12 14322928 XBJDBQFZVHVWIS-UHFFFAOYSA-N 432.406 3.461 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1C 225811237 HEKNOBVMKBPUKJ-UHFFFAOYSA-N 447.513 3.268 5 40 IGBB CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409193400 JYKQLEWJICXZNA-OQLLNIDSSA-N 432.230 3.459 5 40 IGBB CCOC(=O)COc1cc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 1392336 DUURHYDAKAXMGL-UHFFFAOYSA-N 438.227 3.486 5 40 IGBB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1c([N+](=O)[O-])cnn1C 2113124 AGKVLSWEBIASFU-UHFFFAOYSA-N 444.320 3.138 5 40 IGBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCn1c(C)nc2ccccc21 18061658 BLBYBIFNBLUTFO-UHFFFAOYSA-N 431.518 3.396 5 40 IGBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 100642217 PLQLQBJBBNOCFD-UHFFFAOYSA-N 441.535 3.434 5 40 IGBB COc1cc(Cl)c([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408567842 RXJHJDPLZCXBGP-AQZFEABFSA-N 443.887 3.412 5 40 IGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O 409241763 YLTIUZVDTCNQLV-OVCLIPMQSA-N 444.831 3.048 5 40 IGBB CCOC(=O)c1sc2ncn3nc([C@@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C 2790323 CKKCCWNTECEYOB-LLVKDONJSA-N 429.462 3.155 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccccc2[N+](=O)[O-])N3)C1 8921410 YDQZASDIFITNCK-PTZVLDCSSA-N 428.470 3.366 5 40 IGBB Cc1cc(Cl)ccc1OCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9086395 UWLPYIIFLPZXAP-UHFFFAOYSA-N 448.932 3.159 5 40 IGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1cccc(Cl)c1 12565109 FOPARWXVNLJARA-AWEZNQCLSA-N 438.937 3.357 5 40 IGBB COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17095797 KLAAAHQEXBZYRN-UHFFFAOYSA-N 428.470 3.108 5 40 IGBB Cc1c(NC(=O)[C@H]2CCN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] 38860290 PMQWRZIYZWSEHW-QGZVFWFLSA-N 439.877 3.112 5 40 IGBB COCC1(C)CCN(c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1 95459433 QBTFFARJIVSUGD-MRXNPFEDSA-N 425.551 3.268 5 40 IGBB CCc1ccccc1NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544730 DVCYQJZPSDZRRP-QGZVFWFLSA-N 435.502 3.349 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)c([N+](=O)[O-])c1 10185172 LBOXBSLRLVSSHE-CYBMUJFWSA-N 428.445 3.178 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccnc3)c3nnnn3C3CCCC3)CC2)cc1 13561812 KNGZPMATBAYWQT-NRFANRHFSA-N 434.504 3.003 5 40 IGBB Cc1c(C(=O)N2CCC3(CC2)OCCO3)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992528 WKXMKKYUGLKOKX-UHFFFAOYSA-N 428.470 3.259 5 40 IGBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC(=O)N3)cc1 40400478 SVOVXGCPXLVVGJ-OAHLLOKOSA-N 448.439 3.103 5 40 IGBB O=C(NC(=S)Nc1cccc2cccnc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17101346 IRUMRNXHRALJAA-UHFFFAOYSA-N 437.481 3.106 5 40 IGBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 25357569 WZYFMJFDJFCOMW-UHFFFAOYSA-N 441.440 3.355 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224105668 VFFRLVOHDZJSCR-QGZVFWFLSA-N 443.500 3.172 5 40 IGBB C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 9507582 MBJDYXFEKBQZSG-LBPRGKRZSA-N 436.453 3.136 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 12542606 MTYNNCVLRAFUJZ-UHFFFAOYSA-N 448.501 3.158 5 40 IGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)ccc1Cl 20896907 XGUXDOQUHKMIRJ-SNVBAGLBSA-N 442.255 3.490 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260917447 DIBJNDCCEPYXBW-OAHLLOKOSA-N 431.514 3.035 5 40 IGBB COc1cc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)ccc1[N+](=O)[O-] 408555995 YNZAFDGHMQQLPG-UHFFFAOYSA-N 433.421 3.170 5 40 IGBB NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCCC2 4177261 AKBRQDGXCLSXAZ-UHFFFAOYSA-N 425.470 3.131 5 40 IGBB CNS(=O)(=O)c1ccc(NCc2ccc(CN3CCC(C)CC3)cc2)c([N+](=O)[O-])c1 12522722 RQGIONXPZFETIJ-UHFFFAOYSA-N 432.546 3.347 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2F)[nH]1 14152639 NNEXTNWAPTZKTF-UHFFFAOYSA-N 433.421 3.170 5 40 IGBB O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 16044312 CBAYSGRGWZPKNL-UHFFFAOYSA-N 444.484 3.227 5 40 IGBB COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 71195265 GJIITPITEARHMD-MRXNPFEDSA-N 445.815 3.119 5 40 IGBB CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 103459249 SYYZSHSUUWGNRU-BPNWIANQSA-N 445.475 3.461 5 40 IGBB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544886 LXFVDFHHHSAUHB-HNNXBMFYSA-N 441.893 3.440 5 40 IGBB CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408663072 KUTNWBBIEGWLQV-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 408663573 AIIWXYTUHGZCRJ-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c1C 3009523 RZBFBFWDHQQQLO-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)c(Br)c1 20611657 VHTMRCCKCSRBAW-UHFFFAOYSA-N 436.262 3.211 5 40 IGBB NC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 107607607 SIPYPVRHFNLXFQ-NVMNQCDNSA-N 436.449 3.271 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(OC)cc1)S(C)(=O)=O 220651130 JKQLSXAITLPYMX-KRWDZBQOSA-N 441.893 3.440 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 222375042 ULIBGNNGVSVAMP-UHFFFAOYSA-N 427.429 3.366 5 40 IGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3nc4ccccc4s3)cc21 408543431 PAKDOPHKUCHHSR-UHFFFAOYSA-N 429.483 3.126 5 40 IGBB O=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(Cl)cc1[N+](=O)[O-] 9544783 DSIWWRJSVYOAIM-IBGZPJMESA-N 447.856 3.359 5 40 IGBB COc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc([N+](=O)[O-])c2C)c1 22230208 JLUAPLBRHJDIPO-GOSISDBHSA-N 433.486 3.012 5 40 IGBB O=C(C[C@@H](NCCNc1ccccc1[N+](=O)[O-])C(=O)O)Nc1cccc(Cl)c1Cl 65090383 XBDPBZUTVSJIRX-CQSZACIVSA-N 441.271 3.385 5 40 IGBB CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] 89942256 VFDXDFRQADDSHX-GFCCVEGCSA-N 426.466 3.203 5 40 IGBB COc1ccc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)c(OC)c1 109046980 NKQSYAQTRNSYMG-DUXKGJEZSA-N 428.441 3.122 5 40 IGBB CC[C@@H](C(=O)NCCCc1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526690 JEULDYBXIRTQQQ-IBGZPJMESA-N 437.493 3.028 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 408671045 SAMDLCIQLCWAHL-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(Br)cc1)C2=O 9430460 XRCALDUFKDBYDZ-KRWDZBQOSA-N 443.257 3.354 5 40 IGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 11919194 XKCNNDZKCRXRFS-GFCCVEGCSA-N 430.848 3.084 5 40 IGBB CO[C@@H](C)/C(=C/C=C/S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 14608550 VCXILYATOBOWIQ-CYYQZKAESA-N 437.495 3.275 5 40 IGBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 2481070 VBOPKTYHIIMLBP-ZENOOKHLSA-N 429.376 3.102 5 40 IGBB CCn1c(SCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccco1 3420380 COMPHXCCDQRFSK-UHFFFAOYSA-N 446.441 3.168 5 40 IGBB CCOC(=O)C[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 3622628 QAGANXXAMHGXQW-MRXNPFEDSA-N 432.429 3.045 5 40 IGBB Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Sc3nnnn3C)cc2s1 8850847 XPRAIWXXUHJGCO-UHFFFAOYSA-N 427.471 3.440 5 40 IGBB COc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 57653107 FCGSHKBNUSLLGG-MRXNPFEDSA-N 435.484 3.301 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1cc(C)c(C)cc1C)S(C)(=O)=O 223423905 NUPVCKAURURHRM-INIZCTEOSA-N 449.529 3.172 5 40 IGBB Cc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 408644041 CRFSZQQRVZQAPP-UHFFFAOYSA-N 425.319 3.200 5 40 IGBB COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 9191179 FGVZXIXKJOHUSK-OAHLLOKOSA-N 438.889 3.086 5 40 IGBB Cc1ccc2sc(N3CCN(CCNC(=O)c4ccc([N+](=O)[O-])s4)CC3)nc2c1C 12342240 JDKMDMARLOKJNT-UHFFFAOYSA-N 445.570 3.435 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 13137162 CRXLYMUWXKPWER-AWEZNQCLSA-N 433.486 3.276 5 40 IGBB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 32999813 LFJRZOLGYJLFJC-RTWAWAEBSA-N 441.528 3.497 5 40 IGBB Cc1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)cc1 408529612 IQMWMVVFTWADJK-NVMNQCDNSA-N 438.465 3.330 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 408575317 UGGUWKWDDXWQCX-UHFFFAOYSA-N 431.876 3.316 5 40 IGBB NS(=O)(=O)c1ccc(NC(=O)c2sccc2Oc2ccc(F)cc2[N+](=O)[O-])cc1 2558741 HKWOHDKXNYTSGQ-UHFFFAOYSA-N 437.430 3.487 5 40 IGBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 9123005 DNKZQXNZKRSEHO-FKHUDQKESA-N 434.452 3.025 5 40 IGBB COc1c(C)cc(Br)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 17103040 YRMCTGZHNUWMLO-UHFFFAOYSA-N 439.291 3.306 5 40 IGBB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224771574 IUQWMCPYXUADHC-QGZVFWFLSA-N 443.500 3.234 5 40 IGBB CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 9090460 YGBSZBCWOIIVII-VBQJREDUSA-N 443.403 3.493 5 40 IGBB O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9190651 APVNSOFPMZANLO-XMMPIXPASA-N 446.415 3.331 5 40 IGBB COc1ccc(OC)c([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 12361725 IXNZOQGGLWEGFR-NRFANRHFSA-N 443.481 3.207 5 40 IGBB O=C(O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225006718 YPXRCBYWOHKHSX-UHFFFAOYSA-N 442.449 3.454 5 40 IGBB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 9491454 CLRFIBRAXWQWCJ-UHFFFAOYSA-N 429.458 3.232 5 40 IGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32842222 PKBXVPORQHCTQL-CQSZACIVSA-N 445.859 3.031 5 40 IGBB C[C@@H](CCc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222364969 DJIWEBFSRNYAAZ-KRWDZBQOSA-N 433.530 3.279 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528930 FASDCXDHPXCZBQ-LIRRHRJNSA-N 435.502 3.025 5 40 IGBB Cc1c(C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cccc1[N+](=O)[O-] 10186656 OBRKFDCQXRGALO-UHFFFAOYSA-N 432.484 3.364 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@@H]1C[C@H]2CC[C@@H]1C2 33837611 UGUODNHFYXCPLW-RZQQEMMASA-N 429.498 3.095 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2[N+](=O)[O-])N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408687786 VCNAPMOSHQGFOL-ROUUACIJSA-N 447.447 3.095 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408689259 YAAYSXJIBJLMEE-FEBSWUBLSA-N 435.411 3.098 5 40 IGBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 9661244 DOKMECXJQMPPGX-UHFFFAOYSA-N 448.374 3.202 5 40 IGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)c(OC)c1 20462324 QHXCGEIDNIIQJN-SFHVURJKSA-N 428.397 3.075 5 40 IGBB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24562950 XYVYEJWZMVOVMX-IBGZPJMESA-N 443.467 3.228 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102084093 SZXYXMSXHZEREB-SOXBMFEASA-N 429.432 3.405 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c([N+](=O)[O-])c1 408573841 OSAQKGNPHARWSQ-UHFFFAOYSA-N 447.875 3.396 5 40 IGBB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] 15882755 DFLOJEBPZMPROP-UHFFFAOYSA-N 426.454 3.012 5 40 IGBB Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 408562463 PSQIBFKPMMWONF-UHFFFAOYSA-N 447.513 3.404 5 40 IGBB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3366895 PIZBWMHNDZVZAM-LLVKDONJSA-N 435.820 3.432 5 40 IGBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 9119442 BMEOUVDAGGFPRW-MRXNPFEDSA-N 425.441 3.000 5 40 IGBB COC(=O)c1ccc2c(=O)n3cc(C(=O)c4cc(OC)ccc4O)cc(Cl)c3nc2c1 9684716 LOSICVDEZKQGQH-UHFFFAOYSA-N 438.823 3.233 5 40 IGBB O=C(OCc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12601015 SAXZGKRDZHSMMR-UHFFFAOYSA-N 438.889 3.392 5 40 IGBB Cc1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)ccc1[N+](=O)[O-] 15191174 ASZANFYKABFOAG-UHFFFAOYSA-N 429.498 3.281 5 40 IGBB CN(C)C(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408980960 GUWCQTHBFQLVBU-UHFFFAOYSA-N 442.478 3.185 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 12590570 GLSZFJVSPZEMPU-CQSZACIVSA-N 430.892 3.408 5 40 IGBB Cc1cc(=O)c(C(=O)N(C)CCOc2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 12820134 PGOPGZXQDZFMFT-UHFFFAOYSA-N 442.859 3.254 5 40 IGBB CC(C)(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33552976 WHJMHLKNYXRVBN-UHFFFAOYSA-N 433.578 3.154 5 40 IGBB COc1cc(-c2noc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8586993 ZWNBLDUHIJFNEW-UHFFFAOYSA-N 442.428 3.174 5 40 IGBB COC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785494 GUGYSEQFDVJHMT-UHFFFAOYSA-N 432.376 3.290 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@H]1[N+](=O)[O-] 245226304 PZIQMTLYSMCNCR-WNRNVDISSA-N 445.388 3.205 5 40 IGBB CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3402494 HXGMTCKZQXHVOX-UHFFFAOYSA-N 439.299 3.478 5 40 IGBB COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc12 9030706 SYQWTXRPPSFUKL-UHFFFAOYSA-N 446.437 3.486 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2[N+](=O)[O-])CC1 12528130 OQTJWZGGJDDIED-HZPDHXFCSA-N 442.438 3.114 5 40 IGBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 17098667 FVRUANXVQAJFAX-UHFFFAOYSA-N 433.921 3.127 5 40 IGBB O=C1c2cc(Br)cc([N+](=O)[O-])c2OCC1(CN1CCCC1)CN1CCCC1 19144112 RHCZLTGGFVJAPQ-UHFFFAOYSA-N 438.322 3.110 5 40 IGBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)c1C 2751690 HEXUKBYPKYJRJI-UHFFFAOYSA-N 430.442 3.182 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 13121468 PQKMJOWCAJBDTF-UHFFFAOYSA-N 449.485 3.039 5 40 IGBB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 23177613 DQOWIOMKLQXSBE-SFTDATJTSA-N 443.525 3.332 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)c1 139020895 QILPADPNIORGEW-UHFFFAOYSA-N 433.392 3.033 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@H](C)c1ccccc1)S(C)(=O)=O 260842538 AZTVEOJEFMUSMX-KRWDZBQOSA-N 433.530 3.369 5 40 IGBB Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 408592936 KXLHXFNERMHSLZ-FQEVSTJZSA-N 439.493 3.432 5 40 IGBB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1C 3401068 SUQFBVCLGCISSB-ZDUSSCGKSA-N 434.445 3.277 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 4157416 XJACHFFQDNQMHZ-LPTDTENNSA-N 448.431 3.170 5 40 IGBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 4176459 WAYAYDFSZHQNKI-UHFFFAOYSA-N 425.898 3.211 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O 222679218 YIKKWKKGIIUANP-UHFFFAOYSA-N 427.429 3.366 5 40 IGBB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224261867 UTUQLRWYGROLKG-LJQANCHMSA-N 443.500 3.234 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 408596799 SGIPAOUQZFBHLW-OAQYLSRUSA-N 439.493 3.432 5 40 IGBB O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 408606343 OXTFWSBDGVYKCO-UHFFFAOYSA-N 433.486 3.177 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860917 JLAFURIJKKIESI-HNNXBMFYSA-N 437.905 3.429 5 40 IGBB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 32967204 ZFUORKSNVCRVHV-GOSISDBHSA-N 428.441 3.223 5 40 IGBB COc1cc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc(OC)c1OC 2110571 GKBZWIFQAGWDFG-MRXNPFEDSA-N 444.504 3.396 5 40 IGBB biogenic CC1(C)OC(=O)C2(Cc3c(ccc([N+](=O)[O-])c3N3CCCCC3)N3CCCC[C@H]32)C(=O)O1 8738346 OGIPQENSAODRFJ-SFHVURJKSA-N 443.500 3.323 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1Cl 12597682 NNWFFNDOJVDCEM-ZDUSSCGKSA-N 425.894 3.442 5 40 IGBB CC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 13012125 HMLUTVGNNFHJRL-CYBMUJFWSA-N 442.515 3.126 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F 17098340 DQAABTANJAREIA-UHFFFAOYSA-N 433.339 3.295 5 40 IGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1 23561395 LANWQHLLODMWPD-QRWLVFNGSA-N 433.505 3.404 5 40 IGBB COc1ccc(CC2CN(c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)C2)cc1 24829777 MKNCJTXPGUFYCD-UHFFFAOYSA-N 431.514 3.067 5 40 IGBB O=C(CCc1ccccc1Cl)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25023063 JOQJNOHANIMDQM-UHFFFAOYSA-N 431.876 3.073 5 40 IGBB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 71980426 KKEUDHBKUNTJNE-WGAFOPHPSA-N 435.433 3.361 5 40 IGBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 138756868 MVGDQEWNTQEJLV-KRWDZBQOSA-N 439.468 3.254 5 40 IGBB CCOC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024825 NVVCSDZHTJSZAM-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619388 DRFJCIXQDHMSMS-UHFFFAOYSA-N 438.425 3.108 5 40 IGBB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1CCOc1ccccc1[N+](=O)[O-] 59384406 LEZUPWJYXQXJRO-GOSISDBHSA-N 430.457 3.153 5 40 IGBB CC(C)(Cc1ccccc1)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225642344 IFTLEAUNRMDKJQ-UHFFFAOYSA-N 433.530 3.279 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260912675 BKZRTXDHBDRWOX-JKSUJKDBSA-N 445.541 3.424 5 40 IGBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)CCCC1=O)c1ccc([N+](=O)[O-])cc1 408641837 DCGWNMTWMBJZFH-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12980424 ZKDWPSYCGANDQL-INIZCTEOSA-N 434.470 3.291 5 40 IGBB C[C@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 14334622 JXQFKOZOVHXGHH-OKILXGFUSA-N 446.470 3.420 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408659030 VKSIEMSBNDMKLD-MFMILTCTSA-N 447.447 3.032 5 40 IGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 12909544 ATWQAAQIKJQUBD-UNEWFSDZSA-N 441.502 3.159 5 40 IGBB Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)cc1 61942381 LQKIQMYNVLNVGJ-UHFFFAOYSA-N 433.516 3.210 5 40 IGBB O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649773 AGUQLEKSEDBNIB-BEJUIMMHSA-N 437.404 3.311 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 10452738 XMKFNPAUYGYOME-KRWDZBQOSA-N 426.816 3.381 5 40 IGBB CCOc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F 30840513 IXWXROPKLXCRBQ-CLFYSBASSA-N 427.388 3.259 5 40 IGBB Cc1ccc(CNC(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1F 48274215 PIBVSLXBUBJIQS-UHFFFAOYSA-N 425.464 3.378 5 40 IGBB Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 95454646 QODOQGTWTJSVRV-CYBMUJFWSA-N 447.467 3.411 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCC1 106756115 ROBFVXMIUDOCEF-AQTBWJFISA-N 440.481 3.434 5 40 IGBB Cc1cc(I)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 216419343 ICFZSJHGRJVUCP-UHFFFAOYSA-N 432.239 3.450 5 40 IGBB Cc1c(N(CC(=O)NCc2ccc3ccccc3c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 222805267 QHXJIORDWLTAFM-UHFFFAOYSA-N 427.482 3.139 5 40 IGBB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1089659 DFSULXPUACWGSZ-UHFFFAOYSA-N 448.497 3.445 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)OC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 17044966 HOMJHZYQMNVLEA-OAHLLOKOSA-N 427.457 3.390 5 40 IGBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3Br)nn12 26533838 RSEGDDSFDXNTGL-NTEUORMPSA-N 429.255 3.036 5 40 IGBB CN(c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 78968173 KCXDJOKVOFQXEC-IBGZPJMESA-N 433.530 3.329 5 40 IGBB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888090237 MWJSUQDHMNEDKC-ZBFHGGJFSA-N 432.480 3.376 5 40 IGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 9510049 AWYALCZWTPKDBB-UHFFFAOYSA-N 445.472 3.490 5 40 IGBB COc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 10218652 ZWVROYXOSCSZQY-UHFFFAOYSA-N 435.483 3.406 5 40 IGBB COc1ccc2c(c1)c(C(=O)CN1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)c(C)n2C 2266485 BBAYGZKBOFSBIU-UHFFFAOYSA-N 436.512 3.404 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2ccc(Br)cc2c1=O 23456159 HNPMVDQJABDQAD-UHFFFAOYSA-N 431.246 3.404 5 40 IGBB COc1ccc(OCCN2CCN(C(=O)[C@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 25169289 GIDOGLBFTZVNQE-KRWDZBQOSA-N 445.541 3.307 5 40 IGBB Cc1cc(C2=CCN(C(=O)[C@@H]3CN(Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N 78966576 OJCBKCVREAEZSO-QFIPXVFZSA-N 436.512 3.002 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccncc3)[C@@H]2C(=O)N1Cc1ccccc1 101160570 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ISKHHCRRRSMPRH-BQYQJAHWSA-N 426.385 3.323 5 40 IGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 17101876 QGDMEAFQTKWJOF-UHFFFAOYSA-N 438.259 3.255 5 40 IGBB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 23154946 IXQAGSAANIGYKR-QFIPXVFZSA-N 442.491 3.137 5 40 IGBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408652443 ONRYBPJSAXVKLG-ZBFHGGJFSA-N 426.425 3.079 5 40 IGBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)CCCS(=O)(=O)c1ccc(F)cc1 9914849 YDYLGHGLCFBIHD-UHFFFAOYSA-N 444.462 3.165 5 40 IGBB Cc1cccc2nc(CNc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)n(C)c12 79111701 TURKMHVYOGHZFD-UHFFFAOYSA-N 429.502 3.187 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc(C)c1 101176430 SFOLLABUABFOHL-QYQHSDTDSA-N 444.491 3.456 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224956947 WUGDFNQFLUWNHC-UHFFFAOYSA-N 446.529 3.298 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CS(=O)(=O)C3)cc1 3008555 VUZBAETZUCQZPB-UHFFFAOYSA-N 446.872 3.423 5 40 IGBB O=C1N=C(O)[C@@H]2[C@H]1[C@H]1c3ccccc3C=CN1[C@@H]2C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 15989838 GUDLRFKUINIPKG-MLHJIOFPSA-N 438.827 3.326 5 40 IGBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218258429 NEWFWSODAPIXER-UHFFFAOYSA-N 427.866 3.052 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCCc2ccccc21)S(C)(=O)=O 222371017 IHJUUYQEVRJGPE-UHFFFAOYSA-N 447.513 3.129 5 40 IGBB COc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 2221133 RRIHODUPNVXBPY-UHFFFAOYSA-N 448.464 3.464 5 40 IGBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccccc4)C3=O)[C@@H]2C1 9123004 DNKZQXNZKRSEHO-NTDBCUBYSA-N 434.452 3.025 5 40 IGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 10119892 HSOIJCXLISZHIN-UHFFFAOYSA-N 426.414 3.031 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714640 XJOJPTSEAHZPKE-MRXNPFEDSA-N 441.893 3.440 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N[C@H](c1ccccc1)c1nc[nH]n1 97141282 PEQXBINKWMIGNO-LJQANCHMSA-N 442.501 3.089 5 40 IGBB CCOC(=O)[C@H]1[C@H]2NC(=S)N(c3ccc(F)cc3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 100029691 FECBXBOAEJTKAZ-UWVAXJGDSA-N 431.445 3.458 5 40 IGBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@]32CSC(=O)N2)cc1OC 105976158 WFDBUFCDVRPJEF-YWZLYKJASA-N 442.453 3.266 5 40 IGBB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544087 UIJVAULKRWJRCD-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB O=C(CN1C(=O)c2ccccc2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409176493 PDHLMHPSTBCGOD-QFIPXVFZSA-N 444.399 3.358 5 40 IGBB CCOc1ccccc1NC(=S)N1CCN(c2ccc(C(=O)OC)cc2[N+](=O)[O-])CC1 8855477 SAJBNSJQSQWYDG-UHFFFAOYSA-N 444.513 3.299 5 40 IGBB COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCOC34CC5CC(CC(C5)C3)C4)c(=O)oc12 12418927 MGAUIWYLWMILQS-UHFFFAOYSA-N 442.468 3.425 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc([N+](=O)[O-])cc1Cl 13882994 SRPDAXSCOPYMRU-UHFFFAOYSA-N 433.833 3.091 5 40 IGBB CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(C(C)C)nc21 32032488 IGAYXHREXBKCIJ-UHFFFAOYSA-N 425.445 3.025 5 40 IGBB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 39986219 FJFBLFKCKXEGJG-UHFFFAOYSA-N 435.502 3.260 5 40 IGBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106745297 YFNUZGHUFGQCGK-SOFYXZRVSA-N 429.366 3.468 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] 408661889 OUFKVAPTMRFQLP-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3C)CC2=O)cc1[N+](=O)[O-] 408670482 QIWQSWSMWLZXFS-AWEZNQCLSA-N 445.859 3.400 5 40 IGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2302254 CAKPPGPPGLMTMV-UHFFFAOYSA-N 429.480 3.388 5 40 IGBB CCN(CC)[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])Cc1ccccc1 32829938 ZOJRZWMLJADUKG-OAQYLSRUSA-N 440.544 3.432 5 40 IGBB O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 100241701 UWQWAPGUQNXHOL-RYUDHWBXSA-N 437.283 3.121 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102529506 LMFYXGMENIJJRZ-ZPLOVTKXSA-N 429.432 3.405 5 40 IGBB C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 222924931 AWXYSNJDPNCKMD-HNNXBMFYSA-N 431.514 3.117 5 40 IGBB COc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 408671134 JUHNDYCTZWZTAS-UHFFFAOYSA-N 430.413 3.147 5 40 IGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)c([N+](=O)[O-])cc1OCc1ccccc1 409327326 JDLOPPOYCMKTEK-FPLPWBNLSA-N 440.368 3.462 5 40 IGBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 13387808 JWFRVFKQMGTLRM-KRWDZBQOSA-N 439.471 3.256 5 40 IGBB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271398 KATOVPYQMOVOPH-UHFFFAOYSA-N 444.557 3.005 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1cccc([N+](=O)[O-])c1 28173539 SOVRVGADRHXZKV-QHCPKHFHSA-N 437.452 3.273 5 40 IGBB C[C@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100063892 SQGZYCYQDLUUIW-NSHDSACASA-N 439.812 3.364 5 40 IGBB CC[C@H](C(=O)NCCCc1cccc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222527365 FTKDWWPKPUTDTL-HXUWFJFHSA-N 433.530 3.197 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408703593 UFDCTLSYTHDJJO-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB Cn1cc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccc(Cl)cc21 888090390 WBKKVVFCZUISBZ-OLZOCXBDSA-N 426.860 3.161 5 40 IGBB CCOP(=O)(OCC)[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F 3219072 NEFNHDKUCIZDQT-LBPRGKRZSA-N 429.244 3.387 5 40 IGBB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 27814449 RPVIBWSDVIMDQQ-UHFFFAOYSA-N 434.832 3.213 5 40 IGBB COc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c([N+](=O)[O-])cc1OC(F)F 28737622 UOYLTNLSZUZENX-UHFFFAOYSA-N 447.398 3.267 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)C(C)C 103628734 JAPLERIEEZSDAU-QLYXXIJNSA-N 436.512 3.414 5 40 IGBB Cc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1[N+](=O)[O-] 3009546 YGWOMWDQHQWCFC-UHFFFAOYSA-N 440.481 3.386 5 40 IGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1I 3321923 NWPYDOXPVFHHBC-UHFFFAOYSA-N 441.177 3.423 5 40 IGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)c1 223028103 VTAJBBYMANTYGF-INIZCTEOSA-N 427.501 3.478 5 40 IGBB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408663692 BEFHNMHDRKBMSZ-INIZCTEOSA-N 425.441 3.000 5 40 IGBB COc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 12991707 MHECWPLRXHJHGN-FQEVSTJZSA-N 436.486 3.440 5 40 IGBB CCS(=O)(=O)N1CCC[C@@H](c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)C1 13643749 NEJAVJWRHIIMCT-CYBMUJFWSA-N 430.559 3.033 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 19159452 RTWAVMFVUCFZBK-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 22278873 NXMOWTYTQWEMIE-UHFFFAOYSA-N 441.465 3.437 5 40 IGBB CC1CCN(S(=O)(=O)c2ccc(Nc3cnn(C[C@@H]4CCCO4)c3)c([N+](=O)[O-])c2)CC1 40139265 NZAWZNAKZDYQAT-KRWDZBQOSA-N 449.533 3.135 5 40 IGBB Cc1cc(N2CCN(CC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])CC2)nc(C(C)C)n1 12761592 PQEUPFJSUHGXLG-UHFFFAOYSA-N 426.521 3.194 5 40 IGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1C 34763866 GHLJIFMCGIUKGR-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB O=C(NC[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 72309257 QNDPTOZELPSWQM-FQEVSTJZSA-N 433.468 3.205 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC2CCS(=O)CC2)c([N+](=O)[O-])c1 95458351 YUSTWSQKJIRSPA-UHFFFAOYSA-N 437.543 3.133 5 40 IGBB COc1cc(CO)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409114860 LRCIBMNZDBCMPB-UHFFFAOYSA-N 446.153 3.401 5 40 IGBB Cc1ccc(NC(=O)CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 48326235 UHRYYRJPQXPWGG-UHFFFAOYSA-N 425.363 3.398 5 40 IGBB C[C@@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220416111 XWWLEBRYMMZWCE-AWEZNQCLSA-N 439.921 3.152 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408681665 ICZRJYAXWIKSQJ-IQGAEYHTSA-N 437.427 3.322 5 40 IGBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@@H]2C1 9122989 VNMMVXQCNDNNJB-NTDBCUBYSA-N 440.500 3.153 5 40 IGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12901159 YHPZSTUPOVCDNJ-UHFFFAOYSA-N 447.488 3.262 5 40 IGBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 18994152 MBFVQNVZRMECKD-UHFFFAOYSA-N 444.509 3.228 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 59503316 UJFBUFVFZRRQHV-ZRDDSIGQSA-N 441.399 3.380 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)c1 139062002 IXYQUESRMXXKIC-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB CCn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2cc([N+](=O)[O-])ccc21 12237963 OLMFZCFIZLSQQT-CZIZESTLSA-N 437.474 3.061 5 40 IGBB CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H](c1ccc(Cl)cc1)c1nccn1C 12629976 BNXHUMNPGMEPDK-SFHVURJKSA-N 439.859 3.257 5 40 IGBB O=C(CCCN1C(=O)c2ccc(Br)cc2C1=O)OCc1cccc([N+](=O)[O-])c1 25081343 MVARPLINBBZEJH-UHFFFAOYSA-N 447.241 3.477 5 40 IGBB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 32967202 ZFUORKSNVCRVHV-SFHVURJKSA-N 428.441 3.223 5 40 IGBB O=C1C[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N2N=CNC2=N1 38202798 FDVXHPJLOKPFPZ-HNNXBMFYSA-N 444.245 3.112 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(F)(F)F)cc1)S(C)(=O)=O 220045579 BWIBNGUOGASQRU-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB Cc1ccc(CCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220393485 QFNJWMTXPZIISI-QGZVFWFLSA-N 433.530 3.115 5 40 IGBB O=[N+]([O-])c1cnn(CCc2nnc(-c3cc(Br)ccc3OC(F)F)o2)c1 2790928 GCAJQRIVJDPPGW-UHFFFAOYSA-N 430.165 3.448 5 40 IGBB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23080901 WBHKXMWHLOIJEB-UHFFFAOYSA-N 441.484 3.025 5 40 IGBB O=C(O)c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)O)c3)cc([N+](=O)[O-])c2)c1 408668230 CXWQHLYTEFJEQT-UHFFFAOYSA-N 449.375 3.496 5 40 IGBB Cc1ccc(F)cc1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 12805182 IAMAOULIMYBLQQ-UHFFFAOYSA-N 435.477 3.390 5 40 IGBB COc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16227977 RNGHNOMEAINSKZ-UHFFFAOYSA-N 434.905 3.094 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1SCC(=O)NC1CC1 25778471 TZLPYQBAMOLGLY-UHFFFAOYSA-N 443.481 3.069 5 40 IGBB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 100891647 QKJYOWDIFZIZCD-QRVBRYPASA-N 426.860 3.092 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 105807057 KLVCZFCNRQZKKU-ZHRMCQFGSA-N 428.448 3.366 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222542737 AOAOEFAPJYTSRD-KBXCAEBGSA-N 437.493 3.464 5 40 IGBB O=C(NC(=S)Nc1ccc(I)cc1F)c1cccc([N+](=O)[O-])c1 14271044 YLWNPIXHCSBPII-UHFFFAOYSA-N 445.213 3.465 5 40 IGBB COc1ccc(CCc2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc1 19647006 SBUZZQPFMVFZSX-UHFFFAOYSA-N 448.439 3.274 5 40 IGBB C[C@@H](O)CN(CCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100063893 SQGZYCYQDLUUIW-LLVKDONJSA-N 439.812 3.364 5 40 IGBB O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1 100433789 JRTIFWIDEILTKD-OALUTQOASA-N 429.521 3.161 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105876728 MSCDMBSSWNTZRX-JMVFIXPQSA-N 449.573 3.245 5 40 IGBB COC(=O)c1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807638 UGVTUAQTAZDHJM-UHFFFAOYSA-N 439.424 3.177 5 40 IGBB Cc1c(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)cccc1[N+](=O)[O-] 12643196 YQPSHYQNIBWNCJ-OAQYLSRUSA-N 438.484 3.122 5 40 IGBB CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@H]1c1ccccc1 17028501 BUMYVVCJEIASFD-XXBNENTESA-N 436.468 3.192 5 40 IGBB CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc21 100707059 NCVUXUPATNAQRM-UHFFFAOYSA-N 428.901 3.025 5 40 IGBB O=C(O)CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225031231 VAZJQXVJTQWIEZ-UHFFFAOYSA-N 442.449 3.454 5 40 IGBB COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c(OC)c1 3227466 CNIUFZBFZSKRDJ-UHFFFAOYSA-N 431.386 3.291 5 40 IGBB Cc1cc(=O)c(C(=O)N(C)CCOc2ccccc2Cl)nn1-c1ccccc1[N+](=O)[O-] 12750086 OUFINAAEAVLUAK-UHFFFAOYSA-N 442.859 3.254 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1)c1ccc2c(c1)CCC(=O)N2 48236686 WZWDNFKBNQAZEW-CQSZACIVSA-N 444.513 3.437 5 40 IGBB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222539013 AXIPUGMRRQHJJA-MRXNPFEDSA-N 427.429 3.365 5 40 IGBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225512476 HEDJBXYFOCIOQJ-KRWDZBQOSA-N 443.500 3.233 5 40 IGBB CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1-c1cccc([N+](=O)[O-])c1 409126910 BUFWHLXBKBCPNH-UHFFFAOYSA-N 441.469 3.391 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCc1cn2ccccc2n1 8725519 WZYAIOYVSNHMNY-UHFFFAOYSA-N 443.529 3.462 5 40 IGBB COc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 16809169 AIMCPSRTIXSDND-YCIYHOANSA-N 426.428 3.480 5 40 IGBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(C4CCCCC4)C3=O)[C@@H]2C1 16956825 VNMMVXQCNDNNJB-FAHJTYSBSA-N 440.500 3.358 5 40 IGBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)N1CCOCC1)C(Cl)(Cl)Cl 28294112 GRGSHAQGEIIIQT-LLVKDONJSA-N 445.781 3.095 5 40 IGBB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412095 GEAXWHJABTZEDA-NSHDSACASA-N 431.392 3.407 5 40 IGBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 1455646 ULHIKXDRNSGZCV-UHFFFAOYSA-N 446.481 3.199 5 40 IGBB O=C(NCCOc1ccccc1)c1cc(C(=O)NCCOc2ccccc2)cc([N+](=O)[O-])c1 8690733 MSICLLJJNBVACS-UHFFFAOYSA-N 449.463 3.212 5 40 IGBB CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O 9581137 KCDHUFGJZNDAAC-AUSIDOKSSA-N 436.468 3.193 5 40 IGBB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)c1 19867779 OYCFXJZZETZVKQ-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB O=C(O)c1ccc(CNC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20153218 IFXVLEFERWXPRV-UHFFFAOYSA-N 442.497 3.088 5 40 IGBB Cc1cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)ccc1[N+](=O)[O-] 30062887 PUDWCVXWURYIIL-UHFFFAOYSA-N 429.498 3.281 5 40 IGBB C[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220419369 RPUMWYQFWGFIHT-KDOFPFPSSA-N 447.513 3.168 5 40 IGBB COc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 3445707 JEQVBIIODAWZEC-UHFFFAOYSA-N 441.362 3.098 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 14152695 QGMGAVSROCBFAU-UHFFFAOYSA-N 434.405 3.435 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222928898 ZAZRJYXBCWGIEW-CQSZACIVSA-N 449.891 3.189 5 40 IGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965305 KAMCQEYBDXQDJF-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408570732 LZMRNCTXABHSKX-SDNIMSTDSA-N 446.301 3.416 5 40 IGBB C[C@@H](c1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 9122779 RMCDXTYIXGQFFN-VNJOCVIMSA-N 448.479 3.336 5 40 IGBB CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 9327819 BHHUHFXWRPZJSX-UHFFFAOYSA-N 441.513 3.480 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 32640684 VMSJNLKRPWHFNB-MOPGFXCFSA-N 431.539 3.487 5 40 IGBB CCN1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 32860281 GWDYBJABHFCLKI-CYBMUJFWSA-N 435.864 3.218 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 113890124 ZTJITQMKGABLNR-UHFFFAOYSA-N 435.241 3.190 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1 408557194 LZSIOOPCQXWQMC-HNNXBMFYSA-N 433.486 3.033 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9185793 BMSAJRXRCCCNIK-UHFFFAOYSA-N 433.848 3.189 5 40 IGBB CCn1c(C)cc(O)c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)cc(C)n(CC)c2=O)c1=O 10217751 MHZITEQBZDFKDF-UHFFFAOYSA-N 439.468 3.166 5 40 IGBB COC(=O)c1sc(NC(=O)CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 15549130 YIZWUJRAGIRCCQ-LBPRGKRZSA-N 449.485 3.169 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 222363624 XWBKUTSLSPGEOG-UHFFFAOYSA-N 425.894 3.111 5 40 IGBB O=C(Nc1nnc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1 225188397 XFWAOUPEIMMELF-UHFFFAOYSA-N 439.862 3.153 5 40 IGBB Cc1nc2ccc(NC(=O)c3ccc(Sc4nnnn4C)c([N+](=O)[O-])c3)cc2s1 9884597 CMMXGFVEHZIROB-UHFFFAOYSA-N 427.471 3.440 5 40 IGBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COc1ccc([N+](=O)[O-])cc1)n2CCC(C)C 18050096 CGLYPGMYBGYBPR-UHFFFAOYSA-N 429.477 3.220 5 40 IGBB O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 408649777 AGUQLEKSEDBNIB-FHTSYUTFSA-N 437.404 3.311 5 40 IGBB COc1c(/C=c2\sc3nc4ccccc4n3c2=O)cc(Br)cc1[N+](=O)[O-] 408718022 CHBGVCJVHRYZHC-AUWJEWJLSA-N 432.255 3.136 5 40 IGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1C 9283906 LPWCNMHRRQGYAH-UHFFFAOYSA-N 441.484 3.421 5 40 IGBB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9989134 LXNZOXXKZBVVNT-UHFFFAOYSA-N 431.392 3.052 5 40 IGBB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(=O)n2CC(=O)Nc2cccc([N+](=O)[O-])c2)n1 15882748 BKGNYCJWQYDJSC-UHFFFAOYSA-N 444.451 3.260 5 40 IGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC1(N2CCOCC2)CCCCC1 25778351 FHXRYGFLISNGKI-UHFFFAOYSA-N 444.454 3.177 5 40 IGBB CCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176327 LFYYVGRTYRGCPD-QYQHSDTDSA-N 444.491 3.285 5 40 IGBB O=C(NCc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 3146352 OWOMRRAKHPIOKH-UHFFFAOYSA-N 434.408 3.363 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)n1 9234280 ARQCTSGZTDGSCV-QGCDCVKKSA-N 428.489 3.328 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1cccs1)N1CCOCC1 12523289 YHSGNZAGHMJDIA-JOCHJYFZSA-N 447.560 3.406 5 40 IGBB C[C@H]1Cc2cc(C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)ccc2N1S(C)(=O)=O 12777644 HYQFXVGLAOWTOB-LBPRGKRZSA-N 437.905 3.231 5 40 IGBB Cc1nc2ccccc2n1CCNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 18061659 NHJJFQOTPABZEW-UHFFFAOYSA-N 429.502 3.150 5 40 IGBB Cc1cc(C)c2nc3s/c(=C\c4cc(Br)cc([N+](=O)[O-])c4O)c(=O)n3c2c1 408721628 VRKOQDGTSOVNCQ-NSIKDUERSA-N 446.282 3.450 5 40 IGBB CN(CC(=O)Nc1cccc(F)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 10037213 OXQKENOEJQRVJT-UHFFFAOYSA-N 435.355 3.102 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17102776 LFCRPAPOECUDCF-UHFFFAOYSA-N 438.868 3.351 5 40 IGBB CCCN(CCC)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 24979431 VXLIIWWMIMACRN-UHFFFAOYSA-N 431.942 3.298 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc([N+](=O)[O-])c1O 409154470 OOYKHFWOALQPLM-CXUHLZMHSA-N 443.437 3.292 5 40 IGBB COc1ccc(C2(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCOCC2)cc1OC 8829442 FPJXESSRNRQWCC-UHFFFAOYSA-N 430.457 3.099 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1 10220699 DMDNCFRBMUVOEO-UHFFFAOYSA-N 445.453 3.269 5 40 IGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 24320613 MGYHHCJWSOYELW-UHFFFAOYSA-N 444.447 3.233 5 40 IGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 57986752 MLYFBUMOMIOKRW-HXUWFJFHSA-N 425.416 3.378 5 40 IGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1ccc(Cl)cc1Cl 8826469 FOVBARYGHGOEMX-SNVBAGLBSA-N 442.255 3.490 5 40 IGBB NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 9127191 DVSJGGXBKFTISN-UHFFFAOYSA-N 448.435 3.101 5 40 IGBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccco2)cc1 9569354 IPUQWOGMOJYUOX-HXUWFJFHSA-N 444.465 3.450 5 40 IGBB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 12561682 JJKDBXZCNOAHNB-UHFFFAOYSA-N 438.513 3.173 5 40 IGBB CSc1ncccc1C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 33470024 OMERGMQTQXCLDA-RVDMUPIBSA-N 444.494 3.178 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 35808625 MCWBHPUGSASSAT-MEKIYTOJSA-N 428.448 3.366 5 40 IGBB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224052095 BNHWFURGEPBZAE-QGZVFWFLSA-N 429.542 3.424 5 40 IGBB CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 409148105 XFMCQNPMGDVFOR-UHFFFAOYSA-N 441.469 3.298 5 40 IGBB NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 3369516 PDZHTLVMZXEBHV-LBPRGKRZSA-N 431.499 3.344 5 40 IGBB CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 15906646 YGBSZBCWOIIVII-CKEIUWERSA-N 443.403 3.493 5 40 IGBB CCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 17094819 FWQSCSXAJPARGE-UHFFFAOYSA-N 426.473 3.061 5 40 IGBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@@H]1CCCO1 8792288 AQGKERXUCLLWQX-INIZCTEOSA-N 427.460 3.266 5 40 IGBB biogenic Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)c(C)c1 9608695 FACIBEASGGTPFZ-LJQANCHMSA-N 446.529 3.069 5 40 IGBB Cc1cc(C)n(CCCNC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 23246035 MNOLBURWXCQODI-SFHVURJKSA-N 435.912 3.022 5 40 IGBB O=[N+]([O-])c1c(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)nc2ccccn12 57680942 BFACMQOHDANNEZ-UHFFFAOYSA-N 439.501 3.109 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N(C)Cc2noc(C)n2)c([N+](=O)[O-])c1 95467599 DLYXUDQVXMSOCQ-UHFFFAOYSA-N 431.474 3.138 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 101861054 KJUOOIWMFCZXRI-PRHHBONVSA-N 449.500 3.318 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCCC2)c1 408693176 JWNRYJQZJMTCLX-UHFFFAOYSA-N 449.485 3.039 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2790633 NUWWWIZJFLMHMP-UHFFFAOYSA-N 449.426 3.013 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] 16321474 OASFJDBJOCKMNH-UHFFFAOYSA-N 445.482 3.298 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 9348888 YAOJLVKSVMJFBW-URFJDIBFSA-N 449.500 3.033 5 40 IGBB O=C(O[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 13015785 LJZFUWPUXHMQRC-FQEVSTJZSA-N 426.450 3.471 5 40 IGBB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 19867671 OJYSQVMNDXPFPM-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB CCN(CC)c1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 20154300 ZNKGKOCJVNLWBP-UHFFFAOYSA-N 442.476 3.011 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 12556325 XPVBYUQOJJZDIP-ZDUSSCGKSA-N 425.894 3.442 5 40 IGBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20153212 LNGBPFIBZRFXSX-UHFFFAOYSA-N 428.470 3.410 5 40 IGBB Cc1c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C 867435 YTENKAIDHNTSIU-UHFFFAOYSA-N 428.404 3.346 5 40 IGBB O=C(O)c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1 2030872 VFICUBKLHKCNNO-UHFFFAOYSA-N 441.421 3.346 5 40 IGBB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 2318325 UQWSOOSKVWVFLY-AWEZNQCLSA-N 430.467 3.067 5 40 IGBB Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 18977402 MSBGRZHLVZOZQX-UHFFFAOYSA-N 447.513 3.485 5 40 IGBB COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1C(=O)c2ccccc2C1=O 19645772 ZTKQOMHWPOWQDH-UHFFFAOYSA-N 447.403 3.422 5 40 IGBB C[C@H](OC(=O)c1ccc(CN2CCOCC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 25703360 IPGMRNFDBNHGFM-AWEZNQCLSA-N 447.875 3.264 5 40 IGBB CCCCc1noc([C@@H](C)Oc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])n1 32761053 DAFJQIWGFUSCNS-CYBMUJFWSA-N 426.495 3.491 5 40 IGBB C[C@@H]1CN(C(C)(C)CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 32882731 JXQFKOZOVHXGHH-ZIAGYGMSSA-N 446.470 3.420 5 40 IGBB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224780190 LRVXZZXJPGOFCK-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)cc1 409253446 UPJBJSSWWDXJLA-VGOFMYFVSA-N 432.230 3.464 5 40 IGBB Cc1nc2c3ccccc3n3c(CCCC(=O)NC[C@@H](C)c4ccccc4)nnc3n2n1 9860225 WGADYOFBSASFPU-MRXNPFEDSA-N 427.512 3.476 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 13135513 OIYNCAJWGKPWIE-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB O=C1[C@@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13635417 CWMWBHQDFXSEDL-CCQQUTMYSA-N 440.411 3.230 5 40 IGBB COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16216294 MZKMSMKJLPNMSQ-UHFFFAOYSA-N 434.905 3.094 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(C)c(C)c1)S(C)(=O)=O 222369101 XMKNXTBMTYNGTR-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536327 SZRXMKMTXKSMTK-OAHLLOKOSA-N 431.580 3.096 5 40 IGBB CCc1nnc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)s1 9883856 YPXKWSHWYAUJBB-UHFFFAOYSA-N 434.455 3.029 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868383 KCEJVQYCVYMAGZ-UHFFFAOYSA-N 437.905 3.429 5 40 IGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(OC)c(Cl)c1)S(C)(=O)=O 220749413 SAQMSBMMJOKHJG-INIZCTEOSA-N 441.893 3.440 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] 89459554 BWPAVYJWFGDMTI-FMIVXFBMSA-N 445.497 3.430 5 40 IGBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225381864 YWKFWODJLIBZND-QGZVFWFLSA-N 449.529 3.254 5 40 IGBB CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409001303 HPBSWEOGLVOKLP-QRWLVFNGSA-N 448.497 3.022 5 40 IGBB O=C1C[C@@H](N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)N1c1ccccc1 9015875 HDFBWUPOURTZNP-GOSISDBHSA-N 448.401 3.068 5 40 IGBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(Cc1ccccc1)C2=O 9128697 HRDMZMVSFJTYTR-XXBNENTESA-N 436.468 3.021 5 40 IGBB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 32999815 LFJRZOLGYJLFJC-SFTDATJTSA-N 441.528 3.497 5 40 IGBB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 101169172 RRLRTYLZAZPELC-DWKCODDLSA-N 449.500 3.318 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408641265 CEWDVMPBYXWIHY-PMACEKPBSA-N 447.447 3.176 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 9806404 SQLAZSQRNJELBG-LJQANCHMSA-N 431.514 3.103 5 40 IGBB CCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100846661 HRGYSLZHYYXVDD-UHFFFAOYSA-N 442.928 3.333 5 40 IGBB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 15390618 SDFOENGXYDZZQI-UHFFFAOYSA-N 437.437 3.320 5 40 IGBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 22529075 BNARMYKXTCTEAS-UHFFFAOYSA-N 427.866 3.196 5 40 IGBB CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c1 32640705 FJHDNHFMBNRDHE-RBUKOAKNSA-N 445.522 3.072 5 40 IGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1 58440981 QFJRUSWPDNBDPN-AWEZNQCLSA-N 428.514 3.416 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 14412246 XLWWNEQDBNRHAV-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB C[N+]1(C)[C@H]2CC(OC(=O)[C@@H](COC(=O)Nc3ccccc3)c3ccccc3)C[C@@H]1[C@H]1O[C@H]21 104176399 BFRFVVOBDSBOAF-GEIWAZCXSA-O 437.516 3.319 5 40 IGBB CN(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H](c1ccc(Cl)cc1)c1nccn1C 12629979 BNXHUMNPGMEPDK-GOSISDBHSA-N 439.859 3.257 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 13546496 ZHNYUYOPWLJLBZ-CXUHLZMHSA-N 443.437 3.292 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cc1[N+](=O)[O-] 16347835 MMBQIWQJJWRZBU-UHFFFAOYSA-N 438.259 3.491 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 260592263 SEYACIYYNQCSDC-BEFAXECRSA-N 431.514 3.252 5 40 IGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 3486607 PQYCXAFZGOLWBX-UHFFFAOYSA-N 445.501 3.038 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(C)=O 6074251 QTFSOELXTZLLLV-UHFFFAOYSA-N 427.442 3.253 5 40 IGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCN(c2ccccc2O)CC1 9208752 RDZAVAKNPGVDPM-ZDUSSCGKSA-N 438.406 3.468 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)n1 9332867 ARQCTSGZTDGSCV-BUKVSMQUSA-N 428.489 3.328 5 40 IGBB CCOc1cc2c(cc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@@H](C)C2 12634588 ZXPAGFNMUZDZHN-AWEZNQCLSA-N 427.457 3.406 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 13564588 YAOJLVKSVMJFBW-UGTOYMOASA-N 449.500 3.033 5 40 IGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1cccc2ccccc12)N1CCOCC1 23108203 ZDVQMGLKVNZXBY-OAQYLSRUSA-N 441.509 3.100 5 40 IGBB O=C(C[C@H]1C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23382227 PTPWDUHSXCPFEJ-KUHUBIRLSA-N 435.440 3.040 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503313 UJFBUFVFZRRQHV-YQORSWRPSA-N 441.399 3.380 5 40 IGBB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408660143 KYBUAPGRQCDUJS-UHFFFAOYSA-N 441.440 3.397 5 40 IGBB O=C1CC[C@]2(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)Sc3ccccc3N12 3568992 ULIJWRDYOSYSRQ-HXUWFJFHSA-N 428.422 3.134 5 40 IGBB Cc1cc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C 8623684 KMRCYCZOZHCMMR-FQEVSTJZSA-N 430.848 3.271 5 40 IGBB COc1ccc([C@@H](CC(C)C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20106702 YAOKFVLPWMMJGU-HXUWFJFHSA-N 449.529 3.273 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N(CC)c1ccccc1 58908010 LRSRVWOPZQONHA-UHFFFAOYSA-N 438.440 3.389 5 40 IGBB O=C1[C@H]2[C@@H](c3ccncc3)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1Cc1ccccc1 102755726 JRUIPQJNOSVULG-PWRODBHTSA-N 430.420 3.037 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 4157418 XJACHFFQDNQMHZ-GQSCTRQFSA-N 448.431 3.170 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCOc1ccccc1Cl 13135076 KWPFTVCJWVIPNR-UHFFFAOYSA-N 426.878 3.491 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 13137178 XSZSGBVCQMBDKN-CQSZACIVSA-N 433.486 3.276 5 40 IGBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 17095491 LLCMYBNBPIAMEE-UHFFFAOYSA-N 427.530 3.172 5 40 IGBB Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)s2)c1 225426542 WEYSTBPEXVSDTL-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB CC[C@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504051 CEPYYHRYDKRLBW-OXQOHEQNSA-N 433.530 3.277 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1C 408654958 HBEOVZPQTRTWDK-INIZCTEOSA-N 425.441 3.055 5 40 IGBB Cc1ccc(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@@]3(O)C(F)F)o2)c([N+](=O)[O-])c1 653579 ZZZXJIMGMZNNAV-GOSISDBHSA-N 445.325 3.496 5 40 IGBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1Cl)C=C(c1ccccc1)O2 8767163 ZKCBHTLQQHQWCQ-HNNXBMFYSA-N 425.828 3.211 5 40 IGBB O=c1c2cc(Br)cc(Br)c2oc2nc3n(c(=O)c12)CCS3 9108994 ZBFSITYPZRWOCD-UHFFFAOYSA-N 430.077 3.134 5 40 IGBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 9119443 BMEOUVDAGGFPRW-INIZCTEOSA-N 425.441 3.000 5 40 IGBB O=c1c(Br)c(NCCNc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1 9891960 RHEXJVZSNKLTFE-UHFFFAOYSA-N 430.262 3.427 5 40 IGBB O=[N+]([O-])c1ccc(NCc2ccc(C(F)(F)F)cc2)c(S(=O)(=O)N2CCOCC2)c1 12556280 QANKTAUGHIQSNJ-UHFFFAOYSA-N 445.419 3.247 5 40 IGBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1C(=O)O 17095803 FAFSGUZDHBRAOB-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB CS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccc(Cl)cc21 20482879 WNYRCWQURNBXPR-HNNXBMFYSA-N 446.268 3.067 5 40 IGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1 409326204 IDUPHLDJLZVCML-FPLPWBNLSA-N 440.368 3.462 5 40 IGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(Cc2ccncc2)cc1 971735 DUUFYPAVSPYXSB-UHFFFAOYSA-N 430.262 3.487 5 40 IGBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2601664 WETNUDIWFHTWGA-SECBINFHSA-N 439.925 3.457 5 40 IGBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cnc32)cc1C 10252074 CRSRLFVREFIJHT-UHFFFAOYSA-N 438.831 3.145 5 40 IGBB CCN(CC)[C@H](CNC(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1)c1cccc(OC)c1 22700683 NERWAQMIYCGRPN-JOCHJYFZSA-N 444.532 3.475 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 23710002 JFWDHEQLSKGMTM-UHFFFAOYSA-N 433.486 3.033 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408681666 ICZRJYAXWIKSQJ-SLUIBLPYSA-N 437.427 3.322 5 40 IGBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9511960 SNHITICWMUMPTA-UHFFFAOYSA-N 446.529 3.396 5 40 IGBB O=C(CSc1nccn1-c1cccc(F)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 10349871 BUNVEAQDKGRRIW-UHFFFAOYSA-N 441.488 3.361 5 40 IGBB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 40090756 XVCYNJXMPJNDGX-FQEVSTJZSA-N 440.891 3.396 5 40 IGBB O=C(CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 58172378 LHESMMILGYYZBO-UHFFFAOYSA-N 437.269 3.257 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102084206 LMFYXGMENIJJRZ-SOXBMFEASA-N 429.432 3.405 5 40 IGBB Cc1cc(C)c2nc3s/c(=C\c4cc([N+](=O)[O-])cc(Br)c4O)c(=O)n3c2c1 408721031 IHGWJZDVAOAADT-NSIKDUERSA-N 446.282 3.450 5 40 IGBB COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 825459 ZZUYOHRCRMCHFJ-UHFFFAOYSA-N 446.371 3.401 5 40 IGBB CCN(C(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)c1ccccc1 3360010 LQFHTQPFXCJWSQ-UHFFFAOYSA-N 441.469 3.084 5 40 IGBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC[C@@H]1CCCO1 16045622 VPXDKLKXAXHASZ-INIZCTEOSA-N 430.461 3.460 5 40 IGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)N[C@H]1CCCC[C@@H]1C 58907971 HXQXBJMNWVUBLY-YOEHRIQHSA-N 430.461 3.031 5 40 IGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847600 OMNJIWAUAAFJPA-CQSZACIVSA-N 446.891 3.122 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(CCN1CCN(c2ccccc2O)CC1)c1ccccn1 95933254 BMGDYGZFZIIMLK-UHFFFAOYSA-N 447.495 3.164 5 40 IGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 138861996 NFVJCMZZIKQEOC-UHFFFAOYSA-N 444.400 3.102 5 40 IGBB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535359 ARRISMLLDPCKRT-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB COC(=O)c1cc(C(=O)Nc2ccc(I)cc2)cc([N+](=O)[O-])c1 1097971 PZKBGJRZLMFWOR-UHFFFAOYSA-N 426.166 3.238 5 40 IGBB CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2)CC1 58329814 CFIOARFLJGOCPT-UHFFFAOYSA-N 427.461 3.299 5 40 IGBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 102755963 GZEQEFZTLJYHLO-YPAWHYETSA-N 445.431 3.347 5 40 IGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)(C)C)c1 223028167 VTAJBBYMANTYGF-MRXNPFEDSA-N 427.501 3.478 5 40 IGBB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223418971 NRJATGMFGPOKMV-HXUWFJFHSA-N 445.541 3.390 5 40 IGBB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224735904 UOASQWQUSJGIND-QGZVFWFLSA-N 443.500 3.234 5 40 IGBB CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409001300 HPBSWEOGLVOKLP-FOIQADDNSA-N 448.497 3.022 5 40 IGBB Cc1cc(C(=O)NCC(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 3262028 WONFVGMSHRNPJM-UHFFFAOYSA-N 440.239 3.122 5 40 IGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12553948 VWIGUHQRKQRSDX-CQSZACIVSA-N 438.937 3.357 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12924706 SECPLUCXRQEHAO-UHFFFAOYSA-N 443.525 3.431 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20451898 YXQNACYLXMKPOY-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1ccccc1C(F)(F)F 9962393 ZFOPXOBZFDHOIN-UHFFFAOYSA-N 446.403 3.214 5 40 IGBB O=C1Nc2ccccc2S[C@H]1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12553048 JFWZHQKTLZIUNV-SFHVURJKSA-N 446.916 3.400 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C1=O 101039548 VXWNHYQXRDWVHF-ZBFHGGJFSA-N 436.207 3.203 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 220391050 KCNMKDZLOWZZMY-HNNXBMFYSA-N 435.502 3.484 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC[C@H]1COc2ccccc2O1 12565864 KKEBTUCWFAQFFL-INIZCTEOSA-N 447.513 3.411 5 40 IGBB COc1ccc([C@H](CNC[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2c[nH]c3ccccc23)cc1 559684364 SBTUFSYUSKFCSX-RXVVDRJESA-N 435.484 3.064 5 40 IGBB Cc1n[nH]c(O)c1[C@H](c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1c(O)n[nH]c1C 8972060 QKBKATJWXBDGNI-UHFFFAOYSA-N 449.423 3.468 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 12490254 DKXOKWSOBHMLPG-UHFFFAOYSA-N 428.430 3.338 5 40 IGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 100625490 NJITUHXOJOAPTQ-CALCHBBNSA-N 434.404 3.090 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 408673299 ZRLODGNIQUNKML-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB Cc1c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 220032978 KRHYBODUUUWRBM-UHFFFAOYSA-N 439.921 3.072 5 40 IGBB CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 10285417 LUNREQQHJBNKDI-UHFFFAOYSA-N 425.466 3.453 5 40 IGBB CN(Cc1ccccc1)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 12466207 KABZUTSYDRAZOM-HXUWFJFHSA-N 439.855 3.493 5 40 IGBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC 225770618 VAWCFGMGZRTXDO-UHFFFAOYSA-N 428.441 3.467 5 40 IGBB O=C(NC(=S)Nc1ccc(I)cc1)c1ccccc1[N+](=O)[O-] 674789 CBGPFQVGQVZTPU-UHFFFAOYSA-N 427.223 3.326 5 40 IGBB NC(=O)c1ccc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 3369512 PDZHTLVMZXEBHV-GFCCVEGCSA-N 431.499 3.344 5 40 IGBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 30753735 BNTLAYDBOBCCKC-UHFFFAOYSA-N 427.866 3.196 5 40 IGBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 100891649 QKJYOWDIFZIZCD-QYZOEREBSA-N 426.860 3.092 5 40 IGBB O=C1[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)c3sc(=O)[nH]c3S[C@H]2C(=O)N1c1ccccc1 102690979 UZYQQRHVDXDQNW-IIAWOOMASA-N 439.474 3.140 5 40 IGBB CCCc1nc(S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O)n[nH]1 408632270 PLHRUJCPASAAJC-YHYXMXQVSA-N 429.252 3.351 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl 408647443 SXEQVINASRVTSV-CQSZACIVSA-N 445.859 3.400 5 40 IGBB CCc1cc2c(=O)n(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cnc2s1 17244140 LJYJCOIPRKOMIR-UHFFFAOYSA-N 427.486 3.303 5 40 IGBB CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4162495 MDFXIAAFEUNZRD-IOASZLSFSA-N 429.376 3.102 5 40 IGBB COc1ccc(-n2ncc3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)cc1 8741383 FFZSIFSCILMPTP-UHFFFAOYSA-N 431.456 3.059 5 40 IGBB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9982187 PODNBVJCJLPGCB-QHCPKHFHSA-N 438.484 3.189 5 40 IGBB CCOC(=O)c1ccc(NC(=S)NC2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 18217964 MDVGXDXBXSSMHS-UHFFFAOYSA-N 429.502 3.122 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 138850057 GPPFSZRLYUZJDP-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408680817 GZIAMLRDXFJOOV-AFHBHXEDSA-N 437.427 3.322 5 40 IGBB COc1ccccc1[C@@H]1SCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8833873 OPRVGGXZPDVPBX-KRWDZBQOSA-N 439.471 3.256 5 40 IGBB Cc1ccc(CN2CCCN(c3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])CC2)cc1 9834399 KYEUBSQOGJTEPL-UHFFFAOYSA-N 446.573 3.302 5 40 IGBB COc1cc(CCNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c([N+](=O)[O-])cc1OC 32788456 SUMFDOLEKNAWNO-NRFANRHFSA-N 443.500 3.034 5 40 IGBB CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290762 AJZXEWYHASXHME-IBGZPJMESA-N 427.534 3.355 5 40 IGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220456043 OTIBHCXLSXUAEM-SECBINFHSA-N 433.820 3.320 5 40 IGBB CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)N(C)C2=S)cc1 409038110 ZNTZQNBKCOQELJ-YBEGLDIGSA-N 429.454 3.312 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1 9127429 LUSBNWFEVXXKPE-UHFFFAOYSA-N 431.470 3.368 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12 9461170 NGRVVTWGWQTRJM-FUMNGEBKSA-N 446.463 3.089 5 40 IGBB O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 138987666 JFGJJJYTSSKKNX-UHFFFAOYSA-N 442.449 3.094 5 40 IGBB COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218274305 VKHLUKFXDSWQCP-LLVKDONJSA-N 427.866 3.050 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570119 GBRRECCNENKBAQ-GOSISDBHSA-N 435.502 3.404 5 40 IGBB CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 22248816 MANYKENLGQLIOD-UHFFFAOYSA-N 441.893 3.296 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O 222374698 VMMKARWZVMAEKU-UHFFFAOYSA-N 431.580 3.097 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187224 BMEWGTXBLJLNDG-LBPRGKRZSA-N 445.906 3.110 5 40 IGBB Cn1nnnc1Sc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1[N+](=O)[O-] 13108252 PCOCCYNIYLAWPT-UHFFFAOYSA-N 433.421 3.035 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 220391522 DEQWJWOYYFHFRL-IRXDYDNUSA-N 433.530 3.195 5 40 IGBB Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 223478570 TVFRAPDSTKEHBN-KRWDZBQOSA-N 433.530 3.472 5 40 IGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] 408672582 NZQRWOUQCRBDDH-UHFFFAOYSA-N 442.424 3.341 5 40 IGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(I)cc1 9403247 NFNLQQIGHVQGOC-UHFFFAOYSA-N 441.177 3.423 5 40 IGBB CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 15276471 QYIAURVNNDKFEZ-INIZCTEOSA-N 442.877 3.230 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 32797743 QNOXXLWJQRGWQP-UHFFFAOYSA-N 429.420 3.433 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(Br)cc1F 225088885 KJRFPVPBMZLUMS-UHFFFAOYSA-N 447.238 3.085 5 40 IGBB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1nn(C)cc1[N+](=O)[O-] 2735588 GLSIEWLSEFVNLA-UHFFFAOYSA-N 444.320 3.138 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30849809 HSVJJWUMRRDYOG-SFHVURJKSA-N 431.514 3.208 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)NCc1ccccc1Cl 57463474 OJGZQFGYNLQAGL-UHFFFAOYSA-N 439.903 3.235 5 40 IGBB CN1CCCC12CCN(c1ccc(S(=O)(=O)N3CCCCCC3)cc1[N+](=O)[O-])CC2 95460528 MDVQBDCAZFZDRD-UHFFFAOYSA-N 436.578 3.224 5 40 IGBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 96765388 SHAICIFBYHGNET-UHFFFAOYSA-N 440.481 3.453 5 40 IGBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(Cc4ccccc4)c3nc12 100861096 ASUQAFVNRIKOHS-UHFFFAOYSA-N 427.508 3.158 5 40 IGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1 9233702 LDHUAYZLDGRGGJ-YKSBVNFPSA-N 448.479 3.165 5 40 IGBB COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)n2)cc1 9767981 UCXAODVJLWUSPO-UHFFFAOYSA-N 428.426 3.105 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248263317 NGRVVTWGWQTRJM-WTGUMLROSA-N 446.463 3.089 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 15271394 KHWHUOAAPJEDLB-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17096403 JLZAJGROPUSUPZ-UHFFFAOYSA-N 429.414 3.202 5 40 IGBB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224875329 DZHPSBNJMWGXOW-HNNXBMFYSA-N 447.463 3.065 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] 408661887 OUFKVAPTMRFQLP-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 9144402 VHAMNSPFYGVWQT-UHFFFAOYSA-N 445.472 3.246 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408677272 BLGMXSWQVRVLSU-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(OC)c(OC)c1 3228831 DGAPRSWFCMLRMP-BCRSCGJKSA-N 430.413 3.204 5 40 IGBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 3486629 KIQUROCSUPEDJV-UHFFFAOYSA-N 437.437 3.396 5 40 IGBB O=C(Nc1nncs1)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9136952 DBSPBSRTRBWGKV-UHFFFAOYSA-N 439.862 3.153 5 40 IGBB CCN(CC)C1=N[C@](C(=O)OC)(C(F)(F)F)N=C2Sc3cc([N+](=O)[O-])ccc3N21 12411601 BTSRRGSWKWPTFT-HNNXBMFYSA-N 431.396 3.006 5 40 IGBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 12805325 HTBXYCSVWLORJT-JTQLQIEISA-N 440.239 3.202 5 40 IGBB Cc1nn(CC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)c(C)c1[N+](=O)[O-] 12883647 CDGXSGOKXQFNGB-UHFFFAOYSA-N 441.410 3.303 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 222369346 RBJPRRJCBDSJTA-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544569 WWIANQSDKZVHQE-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14270321 FORWURGJJFWUKT-UHFFFAOYSA-N 445.457 3.326 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 9478720 FDQPHMCWENVSPS-UHFFFAOYSA-N 444.296 3.048 5 40 IGBB O=C1COc2ccc(S(=O)(=O)Oc3ccc([N+](=O)[O-])cc3-c3cccs3)cc2N1 12821298 ARANRWKWMJLAKO-UHFFFAOYSA-N 432.435 3.422 5 40 IGBB O=[N+]([O-])c1ccc(NCCN2CCCc3ccccc32)c(S(=O)(=O)N2CCCC2)c1 40155541 PGQKAHCTZLLAJZ-UHFFFAOYSA-N 430.530 3.244 5 40 IGBB O=c1/c(=C\c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 110446605 FMASCBXMGFUEMD-GZTJUZNOSA-N 433.474 3.306 5 40 IGBB CC[C@@H](C(=O)N[C@@H]1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528771 MOBMKAJSTHUNGE-UXHICEINSA-N 431.514 3.333 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408670550 RCQQMUAGFOLEMW-CQSZACIVSA-N 445.859 3.400 5 40 IGBB CN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409191596 IQRVSCOTOKFOBI-OQLLNIDSSA-N 432.230 3.459 5 40 IGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2c(F)cccc21 531365674 NXAXFFUNIXBQBE-OAHLLOKOSA-N 447.488 3.114 5 40 IGBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1C 9974158 KZUZROHPZNYHOT-MRXNPFEDSA-N 447.513 3.260 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)C1CCN(CCn2c(S)nc3ccccc3c2=O)CC1 39013574 KKJOXLNCYXBXRS-UHFFFAOYSA-N 438.509 3.188 5 40 IGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225350492 SBUTVKHMULZPHI-IAGOWNOFSA-N 427.501 3.478 5 40 IGBB COc1ccc(C(=O)[C@H](C(=O)N2CCC(C)CC2)n2cc(Cl)ccc2=O)cc1[N+](=O)[O-] 9601545 LMLKHNVWHOUCKT-LJQANCHMSA-N 447.875 3.101 5 40 IGBB COc1cccc(C(=S)N2CCOCC2)c1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 13897859 FKGVXZVYLACBOX-UHFFFAOYSA-N 436.873 3.484 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 408689453 YETJUYQNCAMDGQ-CALCHBBNSA-N 435.436 3.010 5 40 IGBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 9415556 AHJNMUJCZNRUGH-UHFFFAOYSA-N 427.438 3.300 5 40 IGBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)c(C)c1 9608699 FACIBEASGGTPFZ-IBGZPJMESA-N 446.529 3.069 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 13591230 DOFNEERPAASDCH-UTSGNWPNSA-N 428.448 3.366 5 40 IGBB C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032897 ZGKWRZXILZGFOV-SGTLLEGYSA-N 434.855 3.500 5 40 IGBB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12939621 VJVTVJHOBOGEOZ-KRWDZBQOSA-N 425.413 3.055 5 40 IGBB O=C(COC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ncc(Cl)cc1Cl 13017555 OXKVUUFDPIMMNU-OWOJBTEDSA-N 440.195 3.220 5 40 IGBB CC(C)CN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955355 IPESCDKHOHDSIF-OFNKIYASSA-N 432.480 3.417 5 40 IGBB biogenic O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(Cl)cc1 19171562 GOHDMJMWXUVVEM-BZSNNMDCSA-N 447.278 3.437 5 40 IGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccccc1[N+](=O)[O-] 22907600 ZSJUETKXLNTFAU-HXUWFJFHSA-N 434.452 3.042 5 40 IGBB COC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 106751330 DMTUMONYXOAJHR-YVLHZVERSA-N 428.422 3.383 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543542 AVDSDRUZJZQDPB-WMLDXEAASA-N 435.502 3.025 5 40 IGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223596793 ZPEWUAPMMSAHIW-VQTJNVASSA-N 440.481 3.223 5 40 IGBB Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 12521922 YVGIRACILXXVID-KRWDZBQOSA-N 425.489 3.070 5 40 IGBB O=C(c1cnn(-c2ccccc2)n1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 12774950 KLKLOWXSXJVUOR-UHFFFAOYSA-N 431.412 3.030 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2[N+](=O)[O-])[C@@H]1[N+](=O)[O-] 226498680 PZIQMTLYSMCNCR-XLAORIBOSA-N 445.388 3.205 5 40 IGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2ccc(F)cc21 509049228 QZNRQJVWPQVZJZ-MRXNPFEDSA-N 447.488 3.114 5 40 IGBB COc1ccc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)cc2)nn1 9715020 KMASFUNHMSGLDH-UHFFFAOYSA-N 445.413 3.078 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 13114282 FRVFBFJOQFWECO-UHFFFAOYSA-N 435.502 3.260 5 40 IGBB CC1CCC(NS(=O)(=O)c2ccc(NCc3nnc(C4CC4)n3C)c([N+](=O)[O-])c2)CC1 95467592 CGSDHTLTINSZDA-UHFFFAOYSA-N 448.549 3.070 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)[nH]2)c([N+](=O)[O-])c1 14152637 PGGQTJFRCOBNOH-UHFFFAOYSA-N 433.421 3.170 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H](C)c2nncn2C)c([N+](=O)[O-])c1 40116240 DEXZGVVRPALBHK-AWEZNQCLSA-N 430.490 3.112 5 40 IGBB CC(C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C1=O 409016741 HYJDNEPYCDIHHW-ONNFQVAWSA-N 434.211 3.350 5 40 IGBB COC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 8904252 WRPYFFDLXMUIAR-UHFFFAOYSA-N 442.453 3.080 5 40 IGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 9958496 SITRJDYKTUPKGZ-UHFFFAOYSA-N 437.412 3.041 5 40 IGBB COC(=O)c1c(C)[nH]c(C(=O)OCc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])c1C 10533972 DAMDSDJAGHMXDM-UHFFFAOYSA-N 428.344 3.293 5 40 IGBB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C 10728359 OXXLZUMPPMACHT-UHFFFAOYSA-N 443.456 3.356 5 40 IGBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc(F)cc2F)cc1 32640700 PTZQTMVSGQGCII-WBVHZDCISA-N 439.465 3.148 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1[N+](=O)[O-] 101533991 PZIQMTLYSMCNCR-FZDBZEDMSA-N 445.388 3.205 5 40 IGBB Cc1ccc(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)cc1[N+](=O)[O-] 408656572 FQZCKASDPAYNNM-UHFFFAOYSA-N 425.319 3.200 5 40 IGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1cccc([N+](=O)[O-])c1 409333337 RYXAIRHTZSOHRO-VURMDHGXSA-N 440.368 3.462 5 40 IGBB CCc1nc(N)sc1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 95443950 VQHHPGSLBUEXIO-SSDOTTSWSA-N 432.380 3.399 5 40 IGBB Cc1c(N(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] 260941259 SDXMAHCZJOEHCR-MRXNPFEDSA-N 445.541 3.425 5 40 IGBB CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 15906645 YGBSZBCWOIIVII-JJRVBVJISA-N 443.403 3.493 5 40 IGBB Cc1ccn2cc(CNc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])nc2n1 89700969 FESNQSUMXVLDLT-UHFFFAOYSA-N 444.517 3.123 5 40 IGBB C[C@@H](c1ccccc1)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 9122777 RMCDXTYIXGQFFN-PFTWBPNJSA-N 448.479 3.336 5 40 IGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2nc(-c3cccs3)no2)CC1 12783952 GNVWYJXWWUOZDR-UHFFFAOYSA-N 433.877 3.318 5 40 IGBB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142681 PGPUVUQMWVUKKH-UHFFFAOYSA-N 435.820 3.044 5 40 IGBB O=C(NC[C@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc([N+](=O)[O-])cc1 56896238 ADDYDJRJOABJTP-HSZRJFAPSA-N 449.486 3.422 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 8449434 GYUVJWXUBXFNJA-RWFYYTQISA-N 448.431 3.170 5 40 IGBB Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 9468505 ZUDYIYBQRXHNSL-UHFFFAOYSA-N 432.502 3.006 5 40 IGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 21143608 UOWOMHYTVPNNFL-QGZVFWFLSA-N 429.498 3.376 5 40 IGBB Cc1nn(-c2ccc(Cl)cc2)c2nc3[nH]c(=O)[nH]c(=O)c3c(-c3ccc([N+](=O)[O-])cc3)c12 72332963 JLIVQUJUIZLLDK-UHFFFAOYSA-N 448.826 3.487 5 40 IGBB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 408673243 QQPGJCOIUAMWLF-UHFFFAOYSA-N 430.413 3.147 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)o1 9227545 NORRTBXJMZSVCB-UHFFFAOYSA-N 443.441 3.343 5 40 IGBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1F 12597820 JFDQHAIFIKQTGX-GFCCVEGCSA-N 427.429 3.067 5 40 IGBB Cc1ccccc1-c1nc2scc(CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2n1 17136136 ZSFBKJJGMKKDNQ-UHFFFAOYSA-N 443.510 3.195 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1 19867660 PHUNCRCFZJRBRG-UHFFFAOYSA-N 447.513 3.092 5 40 IGBB COc1cccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2nccn2C)c1 29965445 NJXDQJIDIQPUMA-QGZVFWFLSA-N 436.877 3.058 5 40 IGBB CCN(CC)[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])Cc1ccccc1 32829943 ZOJRZWMLJADUKG-NRFANRHFSA-N 440.544 3.432 5 40 IGBB O=C(c1ccc(N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1)N1CCOCC1 48287649 HANMLDKWHFOQLV-UHFFFAOYSA-N 430.892 3.047 5 40 IGBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@H]2C(=O)N1c1ccc(Cl)cc1 100204472 ZPMSFDKNUSZIOB-MYLBCWQPSA-N 437.839 3.423 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 408664007 YMSHDTDFYHISFZ-WOJBJXKFSA-N 447.447 3.095 5 40 IGBB COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1[N+](=O)[O-] 1775978571 UNMHPHKEVAEYAL-UHFFFAOYSA-N 425.894 3.076 5 40 IGBB CCc1ccc(N2C[C@@H](C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)CC2=O)cc1 3281889 LLIAFENVGXOVDZ-HNNXBMFYSA-N 426.425 3.120 5 40 IGBB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9515283 ARZBYUNFJPMCNK-UHFFFAOYSA-N 425.470 3.126 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11227544 QUTZSJGOGWJPQV-UHFFFAOYSA-N 449.393 3.215 5 40 IGBB O=C1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N2N=CNC2=N1 38202799 FDVXHPJLOKPFPZ-OAHLLOKOSA-N 444.245 3.112 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 408558722 SRCNKJZDJGGMLU-INIZCTEOSA-N 447.513 3.341 5 40 IGBB C[C@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12751756 YKUJIVRURUHOEV-KBPBESRZSA-N 443.953 3.438 5 40 IGBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCN(Cc3ccsc3)CC2)c([N+](=O)[O-])c1 15143494 VWLHZNLBSXHHQT-UHFFFAOYSA-N 438.575 3.055 5 40 IGBB O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Nc1ccc(Cl)cc1[N+](=O)[O-] 9544781 DSIWWRJSVYOAIM-LJQANCHMSA-N 447.856 3.359 5 40 IGBB O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 13000577 CITYFBFPCKYWFN-UHFFFAOYSA-N 441.868 3.427 5 40 IGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23561392 LANWQHLLODMWPD-MGPUTAFESA-N 433.505 3.404 5 40 IGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NCc1ccccc1 408678615 TZPNUKXEGJFRPL-UHFFFAOYSA-N 441.465 3.334 5 40 IGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)CCCC1=O)c1ccc(Cl)cc1 408686292 RIQQCVCMTJQSLJ-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 12818200 GTCIUTZLCYZILU-GOSISDBHSA-N 427.457 3.014 5 40 IGBB CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 13305479 MWGHXSNGAOJDSH-JJRVBVJISA-N 443.403 3.493 5 40 IGBB O=C(NC[C@@H]1CCCO1)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829818 JCBQHFRCMZQXRH-ZDUSSCGKSA-N 446.382 3.033 5 40 IGBB COc1cc(OC)c(C2=CCN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 32860416 FWMQKBAVFIGVSR-GOSISDBHSA-N 444.484 3.150 5 40 IGBB COc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57509382 XGCVZLZPAHATEZ-QGZVFWFLSA-N 449.511 3.151 5 40 IGBB O=C(Cc1ccccc1)NC1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 58010863 GRXRVBFYCMHVNT-UHFFFAOYSA-N 436.512 3.159 5 40 IGBB NC(=O)[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 95979972 YKRPHCZTQZOGJD-QFIPXVFZSA-N 447.451 3.384 5 40 IGBB COc1ccc(N2C(=O)[C@@H]3C(c4ccc([N+](=O)[O-])cc4)=NN(c4ccccc4)[C@@H]3C2=O)cc1 100895128 ZQUYTOZKARLXOD-IRLDBZIGSA-N 442.431 3.386 5 40 IGBB C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139138075 BQIFAIIKAXAXCT-UIAACRFSSA-N 449.463 3.256 5 40 IGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220542278 XPTUQKJXZVNLAD-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccccc1 408689457 YETJUYQNCAMDGQ-IRXDYDNUSA-N 435.436 3.010 5 40 IGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 9056367 ZPPBLSSUVJKECH-ISQHLFTMSA-N 441.399 3.380 5 40 IGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9662916 RSEAEEULXMDXBV-UHFFFAOYSA-N 429.385 3.327 5 40 IGBB COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1C(=O)c2ccccc2C1=O 19645766 PYNOIXFUVDIEQV-UHFFFAOYSA-N 447.403 3.422 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100555640 CLOUJLCDLCKLFV-LATRNWQMSA-N 448.431 3.170 5 40 IGBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C(c2ccc([N+](=O)[O-])cc2)=NN3c2ccccc2)cc1 103618328 ZQUYTOZKARLXOD-UNMCSNQZSA-N 442.431 3.386 5 40 IGBB Cc1cccc(CCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393690 GTHZCOXOVQFHAM-KRWDZBQOSA-N 433.530 3.115 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223764325 QTNRLWRYMPTDJP-CQSZACIVSA-N 449.891 3.189 5 40 IGBB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225073576 WSPDYNIJNOBKIN-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB O=C(C[C@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1cccc([N+](=O)[O-])c1 10059162 ZQYXXXVFUAVASK-XMMPIXPASA-N 446.415 3.331 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 10449064 RIKYMTKPODVHEJ-UHFFFAOYSA-N 437.477 3.379 5 40 IGBB COc1ccccc1Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(N)c1[N+](=O)[O-] 20328858 NUDSTHQSLZMZCY-UHFFFAOYSA-N 435.488 3.041 5 40 IGBB O=C([C@@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1 27666383 JYQQHGTVVDKFCR-QFIPXVFZSA-N 429.524 3.061 5 40 IGBB CC[C@@H](C(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1)C(C)C 104176431 BJBWPCDPXOZHOF-WPUOFKJMSA-N 430.565 3.296 5 40 IGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 3270604 UMDQNUIVVBKULG-UHFFFAOYSA-N 427.196 3.484 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11227688 KBSXESWCKHAQHW-UHFFFAOYSA-N 449.393 3.215 5 40 IGBB O=C(CN1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1)Nc1ccccc1[N+](=O)[O-] 12644371 OQGLJRYXSMHWRB-UHFFFAOYSA-N 440.544 3.330 5 40 IGBB C[C@H](NC(=O)c1ccccc1F)c1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 13955840 MCCIHEOBTSXNPK-LBPRGKRZSA-N 443.460 3.328 5 40 IGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)nn1 15880845 UMXXLMRPYAACEV-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 21143604 UOWOMHYTVPNNFL-KRWDZBQOSA-N 429.498 3.376 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 32666361 QDVDWHSNTLXNBR-UHFFFAOYSA-N 446.891 3.429 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C(=O)NCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 32797288 QZHKPBRHCFOAAZ-HXUWFJFHSA-N 434.456 3.102 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC[C@@H](C)c1ccccc1)S(C)(=O)=O 224854307 AZTVEOJEFMUSMX-QGZVFWFLSA-N 433.530 3.369 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(Cc2ccccc2)CC1 58169906 PAEYAXHXAFJMJU-UHFFFAOYSA-N 429.420 3.211 5 40 IGBB COCCOCCN(Cc1ccccc1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 79096302 KPQBYIISBXMDEJ-UHFFFAOYSA-N 438.484 3.229 5 40 IGBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)c(Cl)c1Cl 224626301 OYMFPSDMMZMIGY-UHFFFAOYSA-N 435.241 3.190 5 40 IGBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9128539 VGVHIRMLVKKBGL-UHFFFAOYSA-N 445.419 3.482 5 40 IGBB O=C(NC1CC1)c1ccc(CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 29539490 NGHDRPONKXXTHF-UHFFFAOYSA-N 432.484 3.368 5 40 IGBB Cc1ccc(C)c(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640695 WBJLGGZYSVODGC-IEBWSBKVSA-N 431.539 3.487 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 100547709 KHHPTXFRMFAHBB-OALUTQOASA-N 434.404 3.090 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408650644 MMQOPFPOPWMMIT-YSGRDPCXSA-N 449.463 3.256 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)c1 408664619 RRMOOFBSUQYJNF-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 2637060 XYONFHZJZNBHOV-UHFFFAOYSA-N 439.877 3.294 5 40 IGBB CNS(=O)(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)c([N+](=O)[O-])c1 12559123 RYOMEVKCLANAPI-QGZVFWFLSA-N 435.893 3.091 5 40 IGBB Cc1cc(N2CCCC2)ccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 32895495 BACLNCYTYHOGFQ-UHFFFAOYSA-N 433.486 3.466 5 40 IGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCc1ccnc(OC2CCCC2)c1 69946983 YTTBWRXWRLQFHN-UHFFFAOYSA-N 440.456 3.316 5 40 IGBB Cc1[nH]nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1-c1ccc2c(c1)OCO2 95466378 OXMGSERXFCKPKQ-UHFFFAOYSA-N 436.833 3.476 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547325 OEEIFVLRLHRRQK-HNNXBMFYSA-N 443.428 3.065 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 23411318 FADJKTMUTREEAW-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(Cc4ccccc4)c3nc12 100861037 VPASZJAEOXADPP-UHFFFAOYSA-N 449.514 3.415 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964933 ZEKWQUUYUAXCFR-UHFFFAOYSA-N 442.877 3.324 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223720182 VOAZXTDGVMMTNU-AWEZNQCLSA-N 449.891 3.189 5 40 IGBB COc1c(O)ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1[N+](=O)[O-] 16293011 PDLMQUGXWUKTAC-INIZCTEOSA-N 428.470 3.049 5 40 IGBB CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930323 WRIVMTZXPANZAL-UHFFFAOYSA-N 441.893 3.215 5 40 IGBB COc1ccc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)c(OC)c1 40157687 NKQSYAQTRNSYMG-IOMROCGXSA-N 428.441 3.122 5 40 IGBB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223144618 WNBRSMCWECODNI-QGZVFWFLSA-N 449.891 3.189 5 40 IGBB Cc1cccc2c1CCCN2C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609621414 GVIGLPOZJQCRIU-OAQYLSRUSA-N 443.525 3.426 5 40 IGBB COc1cc(CC[C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)ccc1O 2107240 YDIOODKHMXDQNW-QZTJIDSGSA-O 430.521 3.196 5 40 IGBB biogenic CN(C)CCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792240 QCQCNYWBBDYBNA-UHFFFAOYSA-N 428.492 3.039 5 40 IGBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc(-c2ccccc2)no1 9054690 BNPKLNCRLFFLOP-UHFFFAOYSA-N 430.442 3.008 5 40 IGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 10970921 NCQOOTXONPHADT-LBPRGKRZSA-N 430.848 3.084 5 40 IGBB COc1ccc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br 408566295 NKVJTNGQQWXROZ-LYEUKMHKSA-N 432.274 3.026 5 40 IGBB O=C(c1ccco1)N1CCN(c2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc23)CC1 1370898 PADDDVAOJGWASN-UHFFFAOYSA-N 436.453 3.217 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccccc2OC)n1 2329590 ARQCTSGZTDGSCV-CNDZOEFASA-N 428.489 3.328 5 40 IGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1Cc1ccc2c(c1)OCO2 2635601 MVHAAEKPTUBCON-UHFFFAOYSA-N 426.381 3.423 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1 3008560 HPBXWJAERLNDEH-UHFFFAOYSA-N 446.872 3.423 5 40 IGBB CC(=O)c1cccc(NC(=O)COC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 9119397 KRZOCUYFHIQQPL-UHFFFAOYSA-N 439.346 3.410 5 40 IGBB COc1ccc(-c2csc(CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])n2)cc1 48324472 XVQBWOYZTQVGIJ-UHFFFAOYSA-N 434.499 3.029 5 40 IGBB O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 103137800 CAOQVDNNTUJXKN-QWRGUYRKSA-N 428.363 3.491 5 40 IGBB O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)c1 4113440 YDRPTMITLOHSBP-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1ccc([N+](=O)[O-])cc1 9762006 WXYYFTKILTXMQY-UHFFFAOYSA-N 426.863 3.090 5 40 IGBB COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16362338 NHQFJHFBEJSOAU-UHFFFAOYSA-N 448.932 3.402 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 19860916 JLAFURIJKKIESI-OAHLLOKOSA-N 437.905 3.429 5 40 IGBB COc1ccc2sc(N(CCCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1 22997523 UTVKQSQRCQFADD-UHFFFAOYSA-N 446.485 3.175 5 40 IGBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c(Cl)c1 33787342 KQUUDSVZBVJLJB-UHFFFAOYSA-N 444.919 3.356 5 40 IGBB Cn1c(Sc2ccc(C3OC(=O)CC(=O)O3)cc2[N+](=O)[O-])nnc1-c1ccccc1 59488745 FDGUCGPQKSEBNR-UHFFFAOYSA-N 426.410 3.030 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1n[nH]c(-c2cccc(NC(C)=O)c2)n1 408636625 BIFNFECQRITPNV-UHFFFAOYSA-N 442.457 3.078 5 40 IGBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408647540 JKQANYLMJMRLDO-YSGRDPCXSA-N 449.463 3.399 5 40 IGBB CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4009105 VBOPKTYHIIMLBP-XEZPLFJOSA-N 429.376 3.102 5 40 IGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 58160519 GLNXVOOSACAGRO-CYBMUJFWSA-N 433.852 3.306 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCCC1=O 138786135 HCELNWGIEVWGPL-UHFFFAOYSA-N 446.803 3.253 5 40 IGBB CCOc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222372907 TYBZIBRBKSBVKA-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 260892650 BSVHABRZUDXANF-MRXNPFEDSA-N 446.529 3.297 5 40 IGBB Cc1cc(I)ccc1NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 778012 XVGDCCZHYAGQHS-UHFFFAOYSA-N 437.193 3.173 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359565 QSMXJCXQZOLALN-AWEZNQCLSA-N 432.433 3.352 5 40 IGBB O=C1N=C(Nc2ccccc2Cl)S[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5891719 UDTUHMYVLPIEBB-CYBMUJFWSA-N 435.805 3.205 5 40 IGBB Cc1nc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])c2n1CCCC2 89708966 BXFZPKZMOZRHRL-HNNXBMFYSA-N 447.561 3.469 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 501788029 CHMZZHGOQVDVSC-LHSJRXKWSA-N 433.892 3.263 5 40 IGBB O=C(O)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Cl)cc1 547873956 HFAYKNLPRIEVTD-NSHDSACASA-N 433.269 3.123 5 40 IGBB CSc1ccc(C(=O)NCC(=O)NCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 15976893 MOGYTLWWXBKHSZ-UHFFFAOYSA-N 427.404 3.382 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(N[C@H](c3ccccc3)C3CC3)c([N+](=O)[O-])c2)CC1 35292568 YQENXQMZUSDLLO-OAQYLSRUSA-N 430.530 3.094 5 40 IGBB O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc2ccccc2c1 89878706 BEJMRVCRWQIJRP-UHFFFAOYSA-N 446.507 3.212 5 40 IGBB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 220421845 GHXYOVIHQLJSSH-AUUYWEPGSA-N 435.502 3.025 5 40 IGBB Cc1c(N(CCCC(=O)NC[C@@H](C)c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224861427 XXSQPCGEIVFHOT-MRXNPFEDSA-N 433.530 3.369 5 40 IGBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)CCCC1=O)c1cccc([N+](=O)[O-])c1 408652520 OXLIMSSFPDHXME-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524729880 MWJSUQDHMNEDKC-HOCLYGCPSA-N 432.480 3.376 5 40 IGBB biogenic C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C4CCCCC4)C3=O)[C@@H]2C1 9122990 VNMMVXQCNDNNJB-FKHUDQKESA-N 440.500 3.153 5 40 IGBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16691507 ADZPPXKOWKUCHZ-UHFFFAOYSA-N 448.932 3.484 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1 101176595 QYBGYSNDJPZVNH-QYQHSDTDSA-N 444.491 3.223 5 40 IGBB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223280707 AJQMNYHLTCJHPT-SFTDATJTSA-N 436.541 3.315 5 40 IGBB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224052150 BNHWFURGEPBZAE-KRWDZBQOSA-N 429.542 3.424 5 40 IGBB O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 2318324 UQWSOOSKVWVFLY-CQSZACIVSA-N 430.467 3.067 5 40 IGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(C)Cc3nccn3C(F)F)c([N+](=O)[O-])c2)C1 12544540 GCJQPOCOIQQYHG-CYBMUJFWSA-N 443.476 3.243 5 40 IGBB CCN(CC)S(=O)(=O)c1cccc(NCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 15087002 IBGNMWXGKKZXIE-UHFFFAOYSA-N 434.518 3.293 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21 31813342 DODQELDFWSQTEP-OAHLLOKOSA-N 426.820 3.337 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 220387517 DMESCEBFKPPBEQ-LLVKDONJSA-N 429.857 3.489 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 12854989 ALMUVJOVJDZFSJ-UHFFFAOYSA-N 444.435 3.218 5 40 IGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 12926521 BZSXOTRUXASZAK-ONOODXEBSA-N 429.498 3.368 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3F)o2)c([N+](=O)[O-])c1 14152693 TZPYVDCONHMWPM-UHFFFAOYSA-N 434.405 3.435 5 40 IGBB COCCCn1ccc2nc3ccn(CCc4ccc(OC)c(OC)c4)c(=O)c3cc2c1=O 38829183 VFDUUMBGKJULMO-UHFFFAOYSA-N 449.507 3.008 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859807 XSNFTXQIRQFUEK-QGZVFWFLSA-N 439.877 3.112 5 40 IGBB O=C(NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O)c1ccccc1 95470765 NOJMNPITOWIZHW-UHFFFAOYSA-N 440.209 3.452 5 40 IGBB O=C1[C@@H]2[C@H]3C[C@@H]([C@@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@@H]43)[C@H]2C(=O)N1c1ccc(Cl)cc1 100204479 ZPMSFDKNUSZIOB-ZMYBMPLZSA-N 437.839 3.423 5 40 IGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 205785279 WGOCLZCXTSDKJZ-NYYWCZLTSA-N 445.247 3.051 5 40 IGBB COc1cc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1OC 409021619 QMDGBJZOCKHTSJ-UHFFFAOYSA-N 443.456 3.112 5 40 IGBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1cccc(I)c1 3308952 FAFNVAXCXWTVNL-UHFFFAOYSA-N 432.195 3.056 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@](=O)C3)cc1 11726342 PAHRZNKFQXBLNQ-SSEXGKCCSA-N 426.454 3.112 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13113251 AJTKSTRTACWOCS-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3c(F)cccc3F)n2)cc1 17094748 NJKCGJVIYOUBDU-UHFFFAOYSA-N 426.339 3.425 5 40 IGBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100861048 HYCKHFWGQIEGNS-UHFFFAOYSA-N 427.508 3.239 5 40 IGBB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2)cc1[N+](=O)[O-] 409350657 SIQOEZWJAHERNP-SXGWCWSVSA-N 434.451 3.337 5 40 IGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 13138452 ARVFOBBBEXIKTR-OAHLLOKOSA-N 426.853 3.217 5 40 IGBB COc1cc(CN(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1OCc1ccccc1 19025736 XNLNWDRJBIZWKU-UHFFFAOYSA-N 437.452 3.003 5 40 IGBB Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Br)cc1-c1nc(C2CC2)no1 72309254 WLSYCLZTCSPVPH-UHFFFAOYSA-N 447.249 3.428 5 40 IGBB O=C1N(c2cccc(C(F)(F)F)c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc([N+](=O)[O-])cc1 8828032 OSOBTAOJDNLXNR-JKSUJKDBSA-N 441.387 3.226 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 30902147 VDUCHJADHZJDLG-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2Sc2ncccn2)sc2nc3ccccc3n12 110458047 KTGBVQTYXUCHHM-GZTJUZNOSA-N 433.474 3.306 5 40 IGBB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544411 LYMKFQMXYUJFSS-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547839 TWUXFKSDQZNOHL-KRWDZBQOSA-N 441.550 3.377 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)c([N+](=O)[O-])c1 408573725 NRQVZNOBHSMMCV-UHFFFAOYSA-N 441.484 3.116 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 9223201 JGWRKEKGLQIRDK-AWEZNQCLSA-N 426.853 3.217 5 40 IGBB Cc1cs/c(=N\C(=O)c2cc(F)ccc2[N+](=O)[O-])n1C(=O)c1cc(F)ccc1[N+](=O)[O-] 44831473 MDAYLSAEHVKJDQ-UZYVYHOESA-N 448.363 3.382 5 40 IGBB COc1cc(N2C(=O)[C@H]3[C@@H](C(C)=O)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] 104019940 DPMUTYNODWNDAB-YSFYHYPLSA-N 447.447 3.016 5 40 IGBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 9562869 RKYBFUGMWIRXNF-UHFFFAOYSA-N 446.462 3.497 5 40 IGBB COCCNc1ccc(C(=O)N2CCCN(Cc3ccc(OC)cc3)CC2)cc1[N+](=O)[O-] 25082084 VVGIKYVUTVAALC-UHFFFAOYSA-N 442.516 3.010 5 40 IGBB CCCCCCn1ccc2nc3ccn(-c4[nH]nc(C)c4C(=O)OCC)c(=O)c3cc2c1=O 40399090 KAKJKPYNNZXMKA-UHFFFAOYSA-N 449.511 3.489 5 40 IGBB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544153 UIJVAULKRWJRCD-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)n1 3991748 BGCZGDQTTXZWJT-UHFFFAOYSA-N 427.442 3.055 5 40 IGBB Cc1ccc2nc3nc(NC4CCCCC4)c(C(=O)NC[C@H]4CCCO4)cc3c(=O)n2c1 13519053 QCVLNBNSLLMYPW-QGZVFWFLSA-N 435.528 3.205 5 40 IGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 32842220 PKBXVPORQHCTQL-AWEZNQCLSA-N 445.859 3.031 5 40 IGBB Cc1nccn1C[C@@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 95407813 DWJJRWOIQJNEAB-SFHVURJKSA-N 447.561 3.333 5 40 IGBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl 107675875 WEZYZVSIVBMLGO-SOFGYWHQSA-N 443.799 3.023 5 40 IGBB Cc1c(N(CC(=O)Nc2ccc(Br)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220023631 IAZWZQSTJJWAKE-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224756912 XDTYYIQOVQAJFB-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225030689 MLHJJFGOJUZPAY-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 226818303 ITXKYMCVVZSFPB-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCCO2 409194822 NCUKIUHTNXOFBD-RQZCQDPDSA-N 441.421 3.041 5 40 IGBB COc1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 881658 RZIZIHXKPKSBBY-UHFFFAOYSA-N 425.850 3.401 5 40 IGBB C[N+](C)(CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1)COC(=O)c1ccccc1 5004737 RWTVXXCUUCFFKF-VWLOTQADSA-N 426.533 3.499 5 40 IGBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2=O)cc1 9544992 KLKDEMLITOMABI-AWEZNQCLSA-N 445.859 3.345 5 40 IGBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(CCCO)nc2N1 11859441 HSGUDEFTHLADJA-HXUWFJFHSA-N 434.456 3.039 5 40 IGBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] 12857723 GSPZLDUFIDHYAC-UHFFFAOYSA-N 427.438 3.483 5 40 IGBB CC(C)[C@H](c1nnnn1Cc1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505219 NIJWSHMXEUCUKB-LJQANCHMSA-N 427.534 3.210 5 40 IGBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408661161 OHMIIFRIGPNOLH-KRWDZBQOSA-N 439.468 3.254 5 40 IGBB COc1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OC(C)(C)[C@H](O)[C@H]3NC2CC2)cc1 3920925 HWADWMAQVCHLHJ-FCHUYYIVSA-N 441.484 3.110 5 40 IGBB in-vitro CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(C(C)C)C2=O)[C@@H]1CCC 9266798 ICQQHMIHKDXIRX-AVRDEDQJSA-N 430.505 3.399 5 40 IGBB CC(C)c1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 9328752 MPIMLGVMWHOTQW-FQEVSTJZSA-N 446.525 3.313 5 40 IGBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 10701659 PDBOROIVHLUPHG-UHFFFAOYSA-N 439.472 3.228 5 40 IGBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c(S(=O)(=O)N2CCCC2)c1 12802795 BMLPJKOHQBNSAN-UHFFFAOYSA-N 431.499 3.316 5 40 IGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 14831766 WITMCOAYEJMLML-UHFFFAOYSA-N 431.430 3.224 5 40 IGBB CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 12533008 RHHAONKWLUMKDT-UHFFFAOYSA-N 447.875 3.457 5 40 IGBB CCOC(=O)c1cc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cc([N+](=O)[O-])c1 24449663 CFWLJKJGYUVXLC-UHFFFAOYSA-N 428.441 3.294 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1 837559 GHTMHJPGWGYTIB-ZDUSSCGKSA-N 447.241 3.136 5 40 IGBB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 9569523 FUGCTWUDPBVQHI-UHFFFAOYSA-N 428.445 3.463 5 40 IGBB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 12949884 XRACAIRUXJQGOM-UHFFFAOYSA-N 441.893 3.296 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CCCO1 13041915 ZPIBNNPTMONINZ-CQSZACIVSA-N 442.859 3.306 5 40 IGBB CC(C)(C)OC(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 20935198 GIRQYEDKHJVVCQ-UHFFFAOYSA-N 446.426 3.177 5 40 IGBB CCOC(=O)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1c(C)nn(-c2ccccc2)c1C 61070590 JLIQXXLQURZSKS-QFIPXVFZSA-N 436.468 3.360 5 40 IGBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1 408689263 YAFPXFUVTUZBCH-KDURUIRLSA-N 435.436 3.010 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc2c(c1)OCO2 409367781 GFDVCQPUIJLBRA-ZKKFKWFVSA-N 440.411 3.200 5 40 IGBB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 9974801 ITWJQVOFTILPOL-INIZCTEOSA-N 447.513 3.260 5 40 IGBB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 12744030 HTZYYPQDWADEHD-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 9806406 SQLAZSQRNJELBG-IBGZPJMESA-N 431.514 3.103 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(F)(F)F)S(C)(=O)=O 10330425 IQCINODXOPDWLA-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 12361630 RCMCFGLBSIEDRB-NRFANRHFSA-N 443.481 3.207 5 40 IGBB COC(=O)c1ccc2c(=O)n(Cc3ccco3)c(Sc3ccc([N+](=O)[O-])cn3)nc2c1 12527765 HHKLEFARMXTWIS-UHFFFAOYSA-N 438.421 3.279 5 40 IGBB CC1CCN(c2ccc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc2[N+](=O)[O-])CC1 16471135 ZYLRGSRGAPRHHN-UHFFFAOYSA-N 428.464 3.492 5 40 IGBB Cc1nc2n(c(=O)c1CC[N+]1([O-])CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O 44136598 SOGHBNZGNKDZHD-GXQBODHFSA-N 442.491 3.094 5 40 IGBB in-vitro O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Br)cc1 9934606 FGIQTMVZORIGII-UHFFFAOYSA-N 434.699 3.401 5 40 IGBB O=C(OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] 10943623 LQFMOWHIVXPYQE-UHFFFAOYSA-N 445.859 3.282 5 40 IGBB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 12361633 RCMCFGLBSIEDRB-OAQYLSRUSA-N 443.481 3.207 5 40 IGBB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153339 KAPOPJYJINHLSD-UHFFFAOYSA-N 444.469 3.029 5 40 IGBB CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 22400403 HOGBTHCWXWISPC-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCCNc1ccccn1 32935575 AIGKWYJCZJYFSP-UHFFFAOYSA-N 433.534 3.469 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 102530275 UTCAVOOSNXAPSO-WCAYHLDQSA-N 429.432 3.405 5 40 IGBB CCCn1c(C)cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C 12522459 RPQPUQUOWBUUOW-UHFFFAOYSA-N 429.473 3.299 5 40 IGBB COCCOc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 35425426 MMJPHRQASWYHHR-SFHVURJKSA-N 425.445 3.402 5 40 IGBB biogenic,in-vitro CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222928966 ZAZRJYXBCWGIEW-AWEZNQCLSA-N 449.891 3.189 5 40 IGBB Cc1c(NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cccc1[N+](=O)[O-] 409256789 NEZOIQCRNRJRIC-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2SC(F)F)c([N+](=O)[O-])c1 12545388 XDIQOFBBZBIEOE-UHFFFAOYSA-N 445.469 3.155 5 40 IGBB COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 408646620 QCSIKPJXKUQDNT-UHFFFAOYSA-N 449.847 3.466 5 40 IGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 409342154 CKCCULGOLUHOID-UHFFFAOYSA-N 427.486 3.362 5 40 IGBB O=C(O)[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 547873011 AEPZYOCCUHVHLD-NSHDSACASA-N 433.269 3.123 5 40 IGBB CC(C)COC(=O)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 9348887 YAOJLVKSVMJFBW-AWWSKVOZSA-N 449.500 3.033 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1CN(C)[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408568858 VAMHJCBFYKFJKR-BOUXLOLZSA-N 446.301 3.370 5 40 IGBB COC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408748921 CRYXEEHLGAYBLQ-UHFFFAOYSA-N 429.435 3.270 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCc2ccccc2)c1 3569717 LWQWTALZJVOISH-UHFFFAOYSA-N 441.465 3.334 5 40 IGBB COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 9660333 FHMWUKYXPHMTHN-UHFFFAOYSA-N 441.400 3.150 5 40 IGBB Cc1ccc(NC(=O)CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c([N+](=O)[O-])c1 15545993 LHGSCIVKOFWFJR-OAQYLSRUSA-N 438.484 3.122 5 40 IGBB CCCN(C)C[C@H]1CCN(c2nc(C)c([N+](=O)[O-])c(N3CC[C@H](CN(C)CCC)C3)n2)C1 95446242 KYMUBVHZOIJLJT-WOJBJXKFSA-N 447.628 3.029 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)ccc1[N+](=O)[O-] 224105614 VFFRLVOHDZJSCR-KRWDZBQOSA-N 443.500 3.172 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] 408673300 ZRLODGNIQUNKML-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC 9127779 PETDCLGNPICILA-UHFFFAOYSA-N 435.502 3.033 5 40 IGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCC2 9583846 JCRQXBFZJKBCNY-UHFFFAOYSA-N 448.453 3.126 5 40 IGBB O=C(Nc1nc2ccccc2s1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12858910 IXBFINXAFZLSJW-MRXNPFEDSA-N 446.510 3.386 5 40 IGBB CCCn1/c(=N/C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 13029637 LTQFZFLZKDTJCC-HPNDGRJYSA-N 444.491 3.285 5 40 IGBB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153063 NEXGYNLQGGYLJS-UHFFFAOYSA-N 444.469 3.116 5 40 IGBB Cc1c(Br)c2ccccc2n1CC(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 48310298 ONZPCUPQMSCOPW-QGZVFWFLSA-N 432.274 3.470 5 40 IGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H](CN(C)C)C3)c([N+](=O)[O-])c2)CC1 58166512 LYYYYCUWMBOFLS-LXPRWKDFSA-N 438.594 3.230 5 40 IGBB Cc1nccn1-c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cn1 89735882 FNGMMHPDCQVXAP-UHFFFAOYSA-N 438.263 3.047 5 40 IGBB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544247 ARYJUEKDFBVSHJ-INIZCTEOSA-N 435.502 3.404 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 8980931 HSPCARNPVFWFKZ-FXAWDEMLSA-N 449.573 3.485 5 40 IGBB CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccc([N+](=O)[O-])o1 9090727 JDIDMMMHDWOMRU-UHFFFAOYSA-N 438.506 3.317 5 40 IGBB CCc1cccc2c(C(=O)COC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)c[nH]c12 9630649 VEUNARRNXPNSEB-UHFFFAOYSA-N 430.438 3.082 5 40 IGBB C[C@H]1CCC[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12751750 YKUJIVRURUHOEV-OKILXGFUSA-N 443.953 3.438 5 40 IGBB O=C1c2oc3c(ccc4ccccc43)c(=O)c2[C@@H](c2ccncc2)N1CCN1CCOCC1 20308785 YPDQGPPKIFTISK-JOCHJYFZSA-N 441.487 3.219 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(Cl)cc1 113888699 YUMUIKYJXNSURM-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 1308835 RRLRTYLZAZPELC-PMECCGAFSA-N 449.500 3.318 5 40 IGBB CC[C@H](CO)n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3305222 WTRVKXYTQSNGDI-OAHLLOKOSA-N 443.481 3.407 5 40 IGBB CCOc1ccc([C@H](C)NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 10978276 MBAGCIAINBITGC-INIZCTEOSA-N 440.500 3.153 5 40 IGBB CCSc1ccccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 12587574 ADWLGSKWWNADKG-UHFFFAOYSA-N 449.554 3.073 5 40 IGBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)NC(C)(C)C 16322873 DLQHTSVRBDURSD-UHFFFAOYSA-N 430.505 3.099 5 40 IGBB C[C@@H](C(=O)NCc1cccc2ccccc12)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222883367 WRHJGVZYUXRWCP-HNNXBMFYSA-N 427.482 3.219 5 40 IGBB Cc1cc(C(=O)NCC(=O)OCCOc2ccc(Br)cc2)ccc1[N+](=O)[O-] 3373649 HIYJICGLPWHTSS-UHFFFAOYSA-N 437.246 3.018 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411272 REZGKVRWSNLLFE-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB O=C1C[C@@H](c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N2N=CNC2=N1 38191781 SPQVOMFIFAFGDN-HNNXBMFYSA-N 444.245 3.112 5 40 IGBB C[C@@H](Cn1ccnc1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40088281 DOAFOZYXIAJULB-ZDUSSCGKSA-N 425.411 3.231 5 40 IGBB O=C(CNc1c(F)cc([N+](=O)[O-])cc1Br)N1CCN(c2ccccc2)CC1 72301820 UJKKXRPLLRTUCA-UHFFFAOYSA-N 437.269 3.257 5 40 IGBB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 408588231 CZXBBYRXDZICDX-LBPRGKRZSA-N 441.893 3.261 5 40 IGBB COC(=O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408751168 XGRZULNAGGLYPA-UHFFFAOYSA-N 429.435 3.270 5 40 IGBB CN(Cc1ccccc1)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 9763018 KABZUTSYDRAZOM-FQEVSTJZSA-N 439.855 3.493 5 40 IGBB Cc1cc(C)c2cc(C(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1C 12741575 FDXUUKQEYUBLPJ-UHFFFAOYSA-N 444.513 3.247 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 13847405 IWMGYTLYQCDTQJ-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1cnn(-c2ccccc2)c1 32891533 QQAQETWBNBOGLE-UHFFFAOYSA-N 441.513 3.220 5 40 IGBB O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)Nc1nc2cc3c(cc2s1)OCCO3 40115955 YZOYUBJGNOYMAX-UHFFFAOYSA-N 425.426 3.354 5 40 IGBB COc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 138913001 KMQFQNHHUKNRNS-UHFFFAOYSA-N 429.429 3.203 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)CCCc2ccccc2)CC1 13679767 VIVRMUWISICEEB-UHFFFAOYSA-N 431.514 3.208 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1cccnc1 14396839 ZJPHIFHERFTVDG-UHFFFAOYSA-N 426.454 3.029 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2ncccc12 24754097 QTZCMXCTSQPJCX-UHFFFAOYSA-N 438.918 3.369 5 40 IGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(C4CCCC4)c3nc12 102622059 BRPHOFHNTGNOQW-UHFFFAOYSA-N 427.508 3.482 5 40 IGBB CCOC(=O)C1=C(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccco1 108965371 FKANSJXSQHVHSN-YJYMSZOUSA-N 428.445 3.052 5 40 IGBB CCOc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 223596975 PHLLGYFOHKQATI-UHFFFAOYSA-N 432.458 3.173 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 225536624 VZRDWOLBLCMIGV-LBPRGKRZSA-N 441.868 3.427 5 40 IGBB COc1ccc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408566289 NKVJTNGQQWXROZ-BXFWJSQNSA-N 432.274 3.026 5 40 IGBB CN(Cc1ccc(Br)cc1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3400070 AJSYSVUDFROZNK-UHFFFAOYSA-N 446.257 3.002 5 40 IGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 9287031 YUJCXHRKCMUZLC-VCIFKONDSA-N 438.831 3.423 5 40 IGBB COc1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 9493474 JPESJMDAANQVQM-UHFFFAOYSA-N 442.468 3.250 5 40 IGBB COc1ccc(CN(C(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C2CC2)cc1 15035002 XWIYVIGJZMJUFF-UHFFFAOYSA-N 425.441 3.483 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220570059 GBRRECCNENKBAQ-SFHVURJKSA-N 435.502 3.404 5 40 IGBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153347 BITIFBLHZCZFSX-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 21847602 OMNJIWAUAAFJPA-AWEZNQCLSA-N 446.891 3.122 5 40 IGBB O=C(Nc1cc(Cl)ccc1O)C1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 40153788 RPVUNJLNMMKVBT-UHFFFAOYSA-N 432.868 3.173 5 40 IGBB CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(OC)c(OC)cc21 101035625 BKKZHGNYIGKMBZ-HNENSFHCSA-N 437.499 3.467 5 40 IGBB COc1cc(OC)cc(-c2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)n[nH]2)c1 408583592 VQJIJKIUZXLCLQ-UHFFFAOYSA-N 445.457 3.137 5 40 IGBB O=C(c1cc(NCCN2CCN(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-])N1CCCC1 59734126 VSKVERIVVLEEFS-UHFFFAOYSA-N 441.507 3.204 5 40 IGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 408963819 PLPTZZFOAVKYCQ-YVLHZVERSA-N 443.437 3.374 5 40 IGBB CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409001302 HPBSWEOGLVOKLP-MGPUTAFESA-N 448.497 3.022 5 40 IGBB COc1ccc(C(=O)[C@@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5722361 DQILQAFCZDCXKQ-ZJSXRUAMSA-N 448.431 3.418 5 40 IGBB COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2c1 9874463 BODOVSQPEVMSAS-UHFFFAOYSA-N 427.844 3.456 5 40 IGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H]1CCCCC1=O 15940443 ANWFZZYFGCSACU-ZBFHGGJFSA-N 428.894 3.155 5 40 IGBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 25356666 QTRROGZLWGLQAO-JTQLQIEISA-N 438.820 3.458 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C1=O 103999951 VXWNHYQXRDWVHF-HOCLYGCPSA-N 436.207 3.203 5 40 IGBB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 408916941 JDQGQSTVMRXIOF-MKMNVTDBSA-N 448.229 3.125 5 40 IGBB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 3288195 NZBXTJMDTPQAOB-UHFFFAOYSA-N 446.222 3.365 5 40 IGBB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 6444734 HUWRAWVTGAUAON-UHFFFAOYSA-N 437.485 3.116 5 40 IGBB Cc1[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1Cc1ccc([N+](=O)[O-])cc1 14607079 UDZHGIGMUFTIQH-UHFFFAOYSA-N 433.449 3.424 5 40 IGBB C[C@@H]1Oc2ccc(NC(=O)[C@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@H]34)cc2NC1=O 36385420 PUVFPCQBSMPODY-QKMWGZLOSA-N 436.468 3.484 5 40 IGBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 9430439 ZIPJFMVKSGJOAC-UTKZUKDTSA-N 440.843 3.043 5 40 IGBB Cc1cc(C)c(NC(=O)CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c(C)c1 12523149 HLQGQDVSIAGMID-UHFFFAOYSA-N 446.529 3.355 5 40 IGBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 13464942 LEABGADKSLIYJL-UHFFFAOYSA-N 427.508 3.216 5 40 IGBB Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccncc4)[C@@H]3C2=O)cc1 101166818 IKDDKLDLWXZRND-ACRUOGEOSA-N 430.420 3.349 5 40 IGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224995860 FOPFHYUQOVKPLO-UHFFFAOYSA-N 430.891 3.338 5 40 IGBB NCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN)cc3)c([N+](=O)[O-])c2)cc1 1569500 VKODHWRSHOWOFD-UHFFFAOYSA-N 447.495 3.102 5 40 IGBB Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 9662956 IKFUQDZCPYNAPW-UHFFFAOYSA-N 446.529 3.396 5 40 IGBB CNS(=O)(=O)c1ccc(NCCSc2ccc(Br)cc2)c([N+](=O)[O-])c1 9911109 SREQYBKSARVVOA-UHFFFAOYSA-N 446.348 3.470 5 40 IGBB CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 10382191 MSQUJHADURTFOY-UHFFFAOYSA-N 444.835 3.270 5 40 IGBB O=C(COCc1cc(-c2ccc(F)cc2)on1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20478954 GHURIHPYEWPCES-UHFFFAOYSA-N 440.431 3.254 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716526 HYKCDCUUHVCYJC-SFHVURJKSA-N 435.502 3.404 5 40 IGBB COc1cc(Cl)c([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408567845 RXJHJDPLZCXBGP-SZFLOTBDSA-N 443.887 3.412 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Br)cc1 408659094 VNQNIMYRXHGZMG-CYBMUJFWSA-N 447.241 3.136 5 40 IGBB C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)C[C@@H](C)O1 13777439 SLBGURDKOXNUOG-IYBDPMFKSA-N 426.521 3.040 5 40 IGBB COc1ccc(NC(=O)[C@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 14932865 IFJYFLXZJIAXQW-ZDUSSCGKSA-N 438.937 3.463 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c(Br)c1 97379296 TYHGHNVLJOOUKD-UHFFFAOYSA-N 425.220 3.208 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1C 100820829 FCTUENYQIHHOCC-QYQHSDTDSA-N 444.491 3.456 5 40 IGBB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 15463846 RXGVEPARKNFFKR-UHFFFAOYSA-N 426.256 3.299 5 40 IGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H]1CCCCC1=O 15940441 ANWFZZYFGCSACU-GOEBONIOSA-N 428.894 3.155 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 17098000 BAUZXUTVMAUBNT-SECBINFHSA-N 432.527 3.315 5 40 IGBB COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)c1 17198575 OBZWXWMBUGEJLR-UHFFFAOYSA-N 435.488 3.041 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008087 RBWNTLWKCKKGPH-FQEVSTJZSA-N 443.456 3.262 5 40 IGBB O=C(CN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cc(C2CC2)nn1-c1ccccc1 24842280 ZTIUMRYCDCNVFZ-UHFFFAOYSA-N 446.511 3.419 5 40 IGBB Cc1c(Br)c2ccccc2n1CC(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 48310296 ONZPCUPQMSCOPW-KRWDZBQOSA-N 432.274 3.470 5 40 IGBB Cc1cc(NC(=O)c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)ccc1Oc1cccnc1 78822307 GWFTYRMSFMUWEM-UHFFFAOYSA-N 442.453 3.299 5 40 IGBB CC(C)CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2146923 MHXRDIPADVDYNS-NZQKXSOJSA-N 432.480 3.417 5 40 IGBB biogenic Cc1ccc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1[N+](=O)[O-] 3371004 UYVRQWNIQUTMST-IBGZPJMESA-N 447.875 3.493 5 40 IGBB O=C1OC(c2ccccc2)=N/C1=C\c1cc(I)c(O)c([N+](=O)[O-])c1 59484433 RUJUNFLSXDJPJP-GHXNOFRVSA-N 436.161 3.250 5 40 IGBB CCOc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222612614 BZVMRQSKRNFADY-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB O=C1c2cc([N+](=O)[O-])cc(I)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 22347789 RJVYYQMJDPRKII-UHFFFAOYSA-N 441.093 3.227 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967515 VKNBHLGCJNOHOB-INIZCTEOSA-N 445.541 3.390 5 40 IGBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1 408566219 FCIJVWMXHWVGCL-GOSISDBHSA-N 428.470 3.481 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] 408673276 ZJMFFCFUELRDJZ-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 8725996 QFVBBVHQOXWPMT-UHFFFAOYSA-N 446.529 3.396 5 40 IGBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 12791920 ZQKRGOCYIYHEGM-GOSISDBHSA-N 448.317 3.469 5 40 IGBB CCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c(=O)n3cccc(C)c3nc21 100942171 CIURVYPXLVLDPQ-UHFFFAOYSA-N 436.537 3.297 5 40 IGBB Cc1ccc(OCc2ccc(C(=O)N3N=C(C(F)F)C[C@]3(O)C(F)F)o2)c([N+](=O)[O-])c1 653576 ZZZXJIMGMZNNAV-SFHVURJKSA-N 445.325 3.496 5 40 IGBB COc1ccc(CCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 9508998 CNGWOMRLXLPEEA-UHFFFAOYSA-N 447.494 3.464 5 40 IGBB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1 70461842 AEIDGVVKGCEELI-UHFFFAOYSA-N 447.282 3.445 5 40 IGBB CCCCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1cccc([N+](=O)[O-])c1 102798819 IHGXQWDGNSOYBF-CLAROIROSA-N 445.475 3.463 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2C)c1 408654985 CEMHXSSEHHAHCS-UHFFFAOYSA-N 429.429 3.203 5 40 IGBB CCCn1c(N2CCN(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)nc2ccccc21 1370947 GLKPHNXWRIDJBU-UHFFFAOYSA-N 436.516 3.424 5 40 IGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCN(C(=O)Nc2ccccc2)CC1 8824255 OSFREJOKMYJGEC-UHFFFAOYSA-N 441.440 3.449 5 40 IGBB O=C(Oc1ccc2c(c1)OCO2)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14470749 PRJQCFLRDNFRAU-UHFFFAOYSA-N 443.389 3.310 5 40 IGBB Cc1c(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)O)cccc1[N+](=O)[O-] 16250144 JXYJAACBOZGBDS-UHFFFAOYSA-N 438.259 3.491 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503317 JZZUZHSAIMFSJS-YQORSWRPSA-N 441.399 3.380 5 40 IGBB C[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220419241 RPUMWYQFWGFIHT-RDTXWAMCSA-N 447.513 3.168 5 40 IGBB Cc1c(N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224887339 GQYSXXRXMUQIAI-UHFFFAOYSA-N 447.391 3.207 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCC2)cc1C 408562470 PVQSALXRALERIO-UHFFFAOYSA-N 447.513 3.404 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 408680787 GRCFGKIIDSZHDH-PMACEKPBSA-N 447.447 3.095 5 40 IGBB COc1ccc(OC)c([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 12361728 IXNZOQGGLWEGFR-OAQYLSRUSA-N 443.481 3.207 5 40 IGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 13014199 VSSCMMPTBCRBIU-UHFFFAOYSA-N 430.413 3.356 5 40 IGBB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 19867876 XYBIQQKKSRWARI-UHFFFAOYSA-N 431.514 3.392 5 40 IGBB COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c([N+](=O)[O-])c1 101141613 GHMNABZJSXEAMZ-UHFFFAOYSA-N 438.308 3.374 5 40 IGBB CCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 101158351 JHFCACXUBUXDRR-UHFFFAOYSA-N 435.915 3.430 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCC1=CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 224935451 VQIISILEWZKWQO-UHFFFAOYSA-N 429.926 3.411 5 40 IGBB COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@H]21 225420318 PWDXABLHFDFFEB-GHIWOLQHSA-N 426.421 3.201 5 40 IGBB biogenic,in-vitro O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(-c3ccccc3Br)nn12 1870274 REMKKFMANFPQPG-ZROIWOOFSA-N 429.255 3.036 5 40 IGBB C[C@H](OC(=O)CSc1ncnc2sccc12)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 9592751 NWVCENHCZGHHIE-VIFPVBQESA-N 436.446 3.401 5 40 IGBB CS(=O)(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)sc2c1 9672500 APKYOCQDPAZLMB-UHFFFAOYSA-N 446.510 3.461 5 40 IGBB COc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2c(=O)n1Cc1ccco1 11084496 BSIMLRZZIUCZSY-UHFFFAOYSA-N 435.392 3.312 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccccc1Cl)S(C)(=O)=O 222369265 LIIZPJZHMHLQEJ-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408676226 ANJCXGAEQBVSIB-AFHBHXEDSA-N 437.427 3.322 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408683214 KUQFWCNUPWLHIJ-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 12371139 NPPADMZHSVYQCV-UHFFFAOYSA-N 448.284 3.315 5 40 IGBB Cc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])cc3)nn12 19629567 RYLCZVKNKFLTTR-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC[C@H]1CCCO1 35044635 HVQMNVCILYYXEY-MRXNPFEDSA-N 434.832 3.493 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1Cc1ccccc1 101161547 GZEQEFZTLJYHLO-FKBYEOEOSA-N 445.431 3.347 5 40 IGBB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 101861050 KJUOOIWMFCZXRI-DWKCODDLSA-N 449.500 3.318 5 40 IGBB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc([N+](=O)[O-])c1C)=C2C 219189964 ZWRTYZBHOHOHHZ-UHFFFAOYSA-N 447.469 3.070 5 40 IGBB COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 220386372 NASXNVHZEWLOOD-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 20100651 DWSKTUSFUHCDPI-UHFFFAOYSA-N 447.391 3.027 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 22513827 GCQFCRDCOWTADK-UHFFFAOYSA-N 433.486 3.171 5 40 IGBB CCc1ccc(CC)c(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 225819010 NHTXWOQOWDXROA-UHFFFAOYSA-N 433.530 3.110 5 40 IGBB O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 409172743 HVNJTPOFFLMEST-VAWYXSNFSA-N 427.438 3.318 5 40 IGBB CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)CCC[C@H]2C1 584442543 UJPTVSNFIAPVIS-SVIJTADQSA-N 439.462 3.336 5 40 IGBB CC(C)(C)OC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 4111601 KJUOOIWMFCZXRI-VOLVWJTLSA-N 449.500 3.318 5 40 IGBB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1C 16320021 GCFCJVBRCCORGV-OAHLLOKOSA-N 443.456 3.007 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 16520040 GUJHQRGPLHWVKM-UHFFFAOYSA-N 444.538 3.225 5 40 IGBB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547391 OEEIFVLRLHRRQK-OAHLLOKOSA-N 443.428 3.065 5 40 IGBB CC(C)c1ccccc1OCCNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223801614 WNURYBWXWTWJNK-MRXNPFEDSA-N 449.529 3.068 5 40 IGBB CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9327550 DPCWVCPRLHOBOU-UHFFFAOYSA-N 425.470 3.362 5 40 IGBB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22098357 ILMRLCQIZDKMAJ-HNNXBMFYSA-N 440.456 3.409 5 40 IGBB COc1ccccc1[C@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57509380 XGCVZLZPAHATEZ-KRWDZBQOSA-N 449.511 3.151 5 40 IGBB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408638080 BCQJJAILHXHCDU-INIZCTEOSA-N 425.441 3.462 5 40 IGBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c1 611033495 MJHKIHLTCQJTHP-UHFFFAOYSA-N 428.470 3.354 5 40 IGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc([N+](=O)[O-])c1 3309609 OSWLXERBIOVXLF-UHFFFAOYSA-N 426.303 3.196 5 40 IGBB O=C(OCc1ccc(C(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 25326509 PDNJJQXNLWEIGK-UHFFFAOYSA-N 439.468 3.024 5 40 IGBB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc([N+](=O)[O-])cc1Br 31744170 CWBBGMBHMGXPIV-UHFFFAOYSA-N 443.213 3.452 5 40 IGBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124726 FHLVTDIAXITOPS-GPILYODUSA-N 440.499 3.057 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCC1CCCCC1 223527109 APGFHMXPHGTKRL-UHFFFAOYSA-N 431.514 3.487 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223769384 PBJWKLDYLQKHSA-KBXCAEBGSA-N 435.502 3.025 5 40 IGBB O=C(O)CN1C(=O)N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 408593099 PBDUZMPWSNPTBM-YBFXNURJSA-N 447.403 3.304 5 40 IGBB COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1OC 20152653 DIRHCTVRSIMPSP-UHFFFAOYSA-N 433.420 3.126 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCC1=O 22535061 UDMSWPPOIWRFLK-UHFFFAOYSA-N 425.850 3.184 5 40 IGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc([N+](=O)[O-])c1 14009689 ZNPVTBCFUOJTEW-UHFFFAOYSA-N 425.220 3.392 5 40 IGBB Cc1nnc(SCc2ccccc2)n1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 17095859 GOEIIMOICIDDKY-UHFFFAOYSA-N 428.499 3.045 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2ccc(F)cc2s1 22998505 OQIAAOCNSBPHDE-UHFFFAOYSA-N 430.461 3.323 5 40 IGBB COc1ccc(CN2CCN(C(=O)CCCNc3ccc([N+](=O)[O-])cc3)CC2)cc1F 24332240 VLWZXNGERUACOG-UHFFFAOYSA-N 430.480 3.279 5 40 IGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 24988619 DLHUCZGDWCRYDL-HNNXBMFYSA-N 449.916 3.238 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 220395171 SEYACIYYNQCSDC-HNAYVOBHSA-N 431.514 3.252 5 40 IGBB O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1 408937311 QHYGTLQTBSILOV-LDADJPATSA-N 442.859 3.178 5 40 IGBB O=C(Cn1ccc2ccc(Cl)cc21)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888089747 DUBVQSFBSVICFU-HIFRSBDPSA-N 426.860 3.011 5 40 IGBB COc1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c([N+](=O)[O-])cc1OC 2631963 YIZFUQFCAVRPPJ-UHFFFAOYSA-N 439.218 3.170 5 40 IGBB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 9539549 ATRINMKTTAPAFY-UHFFFAOYSA-N 434.481 3.375 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 105876732 MSCDMBSSWNTZRX-DUPRYPCISA-N 449.573 3.245 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 220391588 DEQWJWOYYFHFRL-DLBZAZTESA-N 433.530 3.195 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408570728 LZMRNCTXABHSKX-DZJWMVGBSA-N 446.301 3.416 5 40 IGBB O=C(NN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 408660801 WXDGKOOFBHINNP-JQBYJRRVSA-N 439.427 3.132 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 8980918 HSPCARNPVFWFKZ-XLIONFOSSA-N 449.573 3.485 5 40 IGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC(NC(C)C)CC3)c([N+](=O)[O-])c2)CC1 69378354 IVKHEIVQJYNQJC-UHFFFAOYSA-N 438.594 3.419 5 40 IGBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409016475 JJMGUNCJCXCLQA-DEDYPNTBSA-N 445.435 3.225 5 40 IGBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1Cc1ccccc1 9233699 LDHUAYZLDGRGGJ-HYBUGGRVSA-N 448.479 3.165 5 40 IGBB Cc1cc2nnc(Sc3ccc(C(=O)NCC(=O)O)cc3[N+](=O)[O-])n2c2ccccc12 13036638 MCXJUMDETRSZFR-UHFFFAOYSA-N 437.437 3.065 5 40 IGBB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406189 JWDFVBMCWQUZNH-LLVKDONJSA-N 427.866 3.050 5 40 IGBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223188923 ACCHXPZESASFQK-QGZVFWFLSA-N 449.891 3.189 5 40 IGBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15924484 IGKNTZFFNPRESG-UHFFFAOYSA-N 425.445 3.066 5 40 IGBB O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)c1cc(Br)ccc1O 16749452 FXCRUUAJYBBDQQ-UHFFFAOYSA-N 435.230 3.199 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2ccc(F)cc2)CC1 29321059 YADYBTMOJQHZOO-UHFFFAOYSA-N 443.478 3.278 5 40 IGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N(CCO)Cc3ccccc3)c([N+](=O)[O-])c2)C1 72272757 MSZYVMVPJWXXSJ-KRWDZBQOSA-N 433.530 3.014 5 40 IGBB Cc1nc2ccccc2nc1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 12784374 BJLZNQYJVKDZAL-UHFFFAOYSA-N 428.470 3.210 5 40 IGBB COc1ccc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)cc1[N+](=O)[O-] 12929303 RWLNQPRDIBYOIE-UHFFFAOYSA-N 425.363 3.168 5 40 IGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@H](n2cncn2)C1 614439238 IIYQMWSKQMYMQU-NRFANRHFSA-N 443.467 3.055 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 676457 OITQDPIKZAREIW-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)C(F)(F)C(=O)Nc1ccccc1[N+](=O)[O-] 8399257 UOUZOAYEVARIEB-UHFFFAOYSA-N 430.270 3.351 5 40 IGBB CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 16188740 PONVSECHJBMSQD-UHFFFAOYSA-N 437.433 3.399 5 40 IGBB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106739307 AOIYJMNXIXUVDC-YVLHZVERSA-N 428.422 3.383 5 40 IGBB Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)n1 9059359 STXXYWSPAXHCOZ-UHFFFAOYSA-N 445.530 3.153 5 40 IGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC[C@H](C)C2 9562063 UNPJLDUCNQGMEZ-JTQLQIEISA-N 436.442 3.346 5 40 IGBB CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2ccccc2O)CC1 95461548 PSKLARKMRDIIJU-UHFFFAOYSA-N 429.498 3.399 5 40 IGBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCNCC2)ccc1[N+](=O)[O-] 9720915 CJAXAPRIOOSYGP-UHFFFAOYSA-N 427.464 3.371 5 40 IGBB COc1ccc(OC)c([C@H]2CCCN2C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 15827982 SLSOMFWHJQENAV-LJQANCHMSA-N 427.457 3.014 5 40 IGBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)cc1 16757500 LOYYRULNSREEPQ-UHFFFAOYSA-N 435.488 3.041 5 40 IGBB Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 89651388 HEDBWFLBQSCWLM-QGZVFWFLSA-N 426.429 3.154 5 40 IGBB CCCn1c(=N)c(S(=O)(=O)c2ccc(C)c(C)c2)cc2c(=O)n3cc(C)ccc3nc21 100942133 KFVHFEQORFVIBI-UHFFFAOYSA-N 436.537 3.297 5 40 IGBB CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)cc1 220421915 GHXYOVIHQLJSSH-KUHUBIRLSA-N 435.502 3.025 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223967457 VKNBHLGCJNOHOB-MRXNPFEDSA-N 445.541 3.390 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 15971254 MCWBHPUGSASSAT-ZHRMCQFGSA-N 428.448 3.366 5 40 IGBB O=c1/c(=C/c2cc([N+](=O)[O-])ccc2Cl)sc2nc3cc(Br)cnc3n12 16385662 NLEZPCFPTVRPTC-QCDXTXTGSA-N 437.662 3.176 5 40 IGBB COc1cccc(N2CC(=O)N=C2SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 32895058 NUWKWNDIXXCHNR-UHFFFAOYSA-N 434.861 3.331 5 40 IGBB CCOC(=O)[C@@]1(C)C=C(Nc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc([N+](=O)[O-])c1 100080680 NDEOZGRJFCLALO-HXUWFJFHSA-N 426.385 3.167 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC1CCCC1)S(C)(=O)=O 224974102 AJGDFWPSNWOJEL-UHFFFAOYSA-N 443.591 3.241 5 40 IGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225005509 BUUVPAKNBOZMQR-IAGOWNOFSA-N 443.500 3.314 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1[N+](=O)[O-] 408665421 FEQZPFIXXOHMID-AWEZNQCLSA-N 445.859 3.400 5 40 IGBB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] 4908263 FFTZODLAHOORCU-AYHJJNSGSA-N 429.521 3.161 5 40 IGBB Cc1ccc2nc3nc(NC4CCCCC4)c(C(=O)NC[C@@H]4CCCO4)cc3c(=O)n2c1 13519049 QCVLNBNSLLMYPW-KRWDZBQOSA-N 435.528 3.205 5 40 IGBB O=C(COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)NC[C@@H]1CCCO1 35044632 HVQMNVCILYYXEY-INIZCTEOSA-N 434.832 3.493 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cc(C)cc(C)c1)S(C)(=O)=O 222369020 OJUGXBZPJAOVHI-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408659533 VWQOKOHVIOISAR-ZDUSSCGKSA-N 443.843 3.416 5 40 IGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1cc(=O)oc2cc3c(cc12)CCC3 9630766 ZSDAAUMAOZKVHF-UHFFFAOYSA-N 436.420 3.053 5 40 IGBB COc1ccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 16226667 CRZYKLLZNVCOTG-UHFFFAOYSA-N 440.275 3.258 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCC2)cc1 16347431 ZNMCPHQQFUHOPP-UHFFFAOYSA-N 433.486 3.142 5 40 IGBB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 30836284 BTFBGTMKXWCJFB-UHFFFAOYSA-N 446.481 3.055 5 40 IGBB O=C(Cn1cnc2sc3c(c2c1=O)CCSC3)N1CCCc2cc([N+](=O)[O-])ccc21 32850536 OUELNYQSINWFFU-UHFFFAOYSA-N 442.522 3.135 5 40 IGBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100707443 YHMDBTBVFSSJGU-UHFFFAOYSA-N 442.500 3.010 5 40 IGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 409344566 HKIMTKHATSNSRV-LICLKQGHSA-N 443.437 3.287 5 40 IGBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2)cc1 9635042 CGBUBDVMELWUME-UHFFFAOYSA-N 449.419 3.299 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c2ncccc12 24987787 AUUGYNPQMMBCMN-UHFFFAOYSA-N 438.509 3.143 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 43732329 MCWBHPUGSASSAT-JLGINSKQSA-N 428.448 3.366 5 40 IGBB COC(=O)C1=C(C(=O)OC)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 71195266 GJIITPITEARHMD-INIZCTEOSA-N 445.815 3.119 5 40 IGBB CCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101158113 AOSVPMWPESGQOU-UHFFFAOYSA-N 445.523 3.176 5 40 IGBB CC(C)(C)OC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 101861046 KJUOOIWMFCZXRI-SCYDXJQRSA-N 449.500 3.318 5 40 IGBB CCOc1ccc(N([C@H](CC)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220672919 NMCTUISKBVBHTI-LJQANCHMSA-N 435.502 3.485 5 40 IGBB CC[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224932311 QNMLYQSVTGDENU-HXUWFJFHSA-N 446.529 3.378 5 40 IGBB CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408655065 COSCCDGIZVSEMZ-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408666055 NNKICSCPGLZDOD-UHFFFAOYSA-N 429.429 3.284 5 40 IGBB CC(=O)CC[C@](Br)(CC[C@@](Br)(CCC(C)=O)[N+](=O)[O-])[N+](=O)[O-] 1595447 SLQWDVMCAZEWKN-VXGBXAGGSA-N 446.092 3.241 5 40 IGBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1 2258106 POKCOEHBFIRZHG-KRWDZBQOSA-N 427.464 3.471 5 40 IGBB COc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 20229746 MFHXMQDAAXIJGR-UHFFFAOYSA-N 435.488 3.041 5 40 IGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c(Br)c1 20611658 OHWCWGGCWTWQKY-UHFFFAOYSA-N 436.262 3.211 5 40 IGBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@]32CSC(=O)N2)cc1OC 105976162 WFDBUFCDVRPJEF-QRWLVFNGSA-N 442.453 3.266 5 40 IGBB CN(CCN1CCCC1)CC(C)(C)CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 95980377 PBWQEUKJZLMSFB-UHFFFAOYSA-N 431.581 3.295 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN12 248250190 IOOAFZCJSSRLCE-WTGUMLROSA-N 446.463 3.089 5 40 IGBB O=C(O)/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2 1668094 QOSHXRLIRSUBGX-LAFDYMOFSA-N 436.170 3.440 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 9714636 GMBXFNJPKBCDCC-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 19162988 QEOLAWZAZMVRIG-UHFFFAOYSA-N 441.868 3.427 5 40 IGBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)o1 108223955 MBERRVXCSUQQQP-YBEGLDIGSA-N 437.364 3.327 5 40 IGBB CC(C)CN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042194 MHXRDIPADVDYNS-OFNKIYASSA-N 432.480 3.417 5 40 IGBB biogenic COc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)c([N+](=O)[O-])c1 19160194 RWZCNCQTSJJHNR-UHFFFAOYSA-N 438.417 3.233 5 40 IGBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1Cl 224627317 PCVCOLYWDWNZJM-UHFFFAOYSA-N 449.268 3.499 5 40 IGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)Cc1nnc(S)n1Cc1ccccc1 10903275 FNMSRTHONOCEIG-UHFFFAOYSA-N 431.905 3.378 5 40 IGBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 17095494 AIUYBKHRFDOGIW-UHFFFAOYSA-N 427.530 3.172 5 40 IGBB CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OC(C)(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 101861058 KJUOOIWMFCZXRI-DDOIHHOZSA-N 449.500 3.318 5 40 IGBB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 1775974226 NMDYOAUBPWWLAC-UHFFFAOYSA-N 432.483 3.221 5 40 IGBB Cc1ccc2nc3nc(NC[C@@H]4CCCO4)c(C(=O)NCc4ccccc4)cc3c(=O)n2c1 13494814 BLMLYRZFMJTLIR-SFHVURJKSA-N 443.507 3.072 5 40 IGBB COc1cccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 14827069 SKUWQSRWELBILK-UHFFFAOYSA-N 433.467 3.074 5 40 IGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223596843 ZPEWUAPMMSAHIW-PMACEKPBSA-N 440.481 3.223 5 40 IGBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9662108 SVOCIPYGGLQAEX-UHFFFAOYSA-N 443.290 3.083 5 40 IGBB Cc1cccc(N2CCN(c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])CC2)c1C 9492956 AMXIABYPTSSFNK-UHFFFAOYSA-N 444.557 3.323 5 40 IGBB CC(C)(C)c1ccc(-n2c(=O)[nH]c3c(C(N)=O)nc(-c4ccccc4[N+](=O)[O-])nc32)cc1 9738916 XEENNPPBVGWZQP-UHFFFAOYSA-N 432.440 3.080 5 40 IGBB O=C(CNC(=O)c1ccc2ccccc2c1)OCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 32936329 MKWSVQFAZMSOCJ-UHFFFAOYSA-N 432.392 3.271 5 40 IGBB C[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)Cn1cccn1 40118901 IYVSLZGQGAWKHI-CQSZACIVSA-N 439.438 3.479 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCC)cc3)CC2)c([N+](=O)[O-])c1 408574400 QFTGZWHPKYRHPR-UHFFFAOYSA-N 427.457 3.133 5 40 IGBB CC(C)C(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc([N+](=O)[O-])c1 8710323 MCFPTPGHKUVIDN-IBGZPJMESA-N 430.486 3.300 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 9907979 OFCFFIKKOQBJAG-UHFFFAOYSA-N 426.473 3.084 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 222368502 FDUSDXSSHMMPIB-HNNXBMFYSA-N 435.502 3.027 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)c1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504202 FASDCXDHPXCZBQ-KUHUBIRLSA-N 435.502 3.025 5 40 IGBB CCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3cc(C)ccc3nc21 2426814 BDZMKQRUIKSUHM-UHFFFAOYSA-N 436.537 3.378 5 40 IGBB C[N+](C)(C)CCCNS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 4016059 GGBQOGPEEGGYGG-UHFFFAOYSA-N 436.001 3.329 5 40 IGBB CC(C)c1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)nc2s1 5945208 VMCJFJKPMJRAIG-UHFFFAOYSA-N 434.909 3.163 5 40 IGBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408535543 TXLDXOBPDDPVBW-UHFFFAOYSA-N 426.389 3.328 5 40 IGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NC[C@@H]1CCCO1 9284877 DVBXPMKJYAEZNW-SFHVURJKSA-N 439.497 3.230 5 40 IGBB Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1C 14360755 VCCBULORFCBVKO-UHFFFAOYSA-N 442.424 3.128 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccccc1[N+](=O)[O-] 28173554 QTFFOKYLSYUOEB-QHCPKHFHSA-N 437.452 3.273 5 40 IGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)Nc1cccc2ccccc12 138697422 DFSQMEORPTXOGS-INIZCTEOSA-N 433.420 3.283 5 40 IGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 408667056 AYWJHUXTMNFBPO-UHFFFAOYSA-N 445.384 3.047 5 40 IGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 8399467 NTCOMBXIXKKWIG-OVCLIPMQSA-N 445.409 3.000 5 40 IGBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@H]1CCCO1 8792290 AQGKERXUCLLWQX-MRXNPFEDSA-N 427.460 3.266 5 40 IGBB biogenic CN(C)CCN(CCc1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 79047823 AJSPCFIYFIJDAO-UHFFFAOYSA-N 427.473 3.202 5 40 IGBB C[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220419303 RPUMWYQFWGFIHT-KSSFIOAISA-N 447.513 3.168 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(C)ccc1C)S(C)(=O)=O 408702115 CINMZDRWXIJLNT-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB COc1cc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 9334822 KQFDPKHNJIZYPD-UHFFFAOYSA-N 428.401 3.242 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1Cl 9525983 MIBDIMYUQRSBSJ-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB Cc1c(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)cccc1[N+](=O)[O-] 10186601 KISOBFBTUANYCM-UHFFFAOYSA-N 432.484 3.364 5 40 IGBB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 78900031 ULDUOLCGUONPAM-UHFFFAOYSA-N 438.465 3.468 5 40 IGBB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CS(=O)(=O)C2 3008483 KERKXIQCIHNKNZ-UHFFFAOYSA-N 446.872 3.423 5 40 IGBB O=C(COC(=O)c1cccc(I)c1)Nc1cc([N+](=O)[O-])ccc1F 3338479 AEPURAZAFQNWMA-UHFFFAOYSA-N 444.156 3.134 5 40 IGBB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccco2)cc1 9569353 IPUQWOGMOJYUOX-FQEVSTJZSA-N 444.465 3.450 5 40 IGBB Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCN(C)CC4)nn3)cc2)cc1[N+](=O)[O-] 10186652 MECWXJBYKPQCKC-UHFFFAOYSA-N 432.484 3.364 5 40 IGBB COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 10330797 HNCBYWDXZYJLPV-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1OC 408702038 JVAUSTOWVSOHBQ-UHFFFAOYSA-N 449.485 3.039 5 40 IGBB COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] 408608950 NGGDPKXRNMPZCM-IBGZPJMESA-N 441.484 3.276 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C 408672820 XFMANMFLRAWDOD-INIZCTEOSA-N 425.441 3.055 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 501788031 CHMZZHGOQVDVSC-SPLOXXLWSA-N 433.892 3.263 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 96319515 BEQLEQCMELEBAT-RTBURBONSA-N 434.404 3.090 5 40 IGBB CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)[C@H]2C1 584442541 UJPTVSNFIAPVIS-MRFFXTKBSA-N 439.462 3.336 5 40 IGBB CCOc1cc2c(cc1OCC)CN(C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)CC2 10300406 MDUZKJFQSIGQGG-UHFFFAOYSA-N 441.484 3.015 5 40 IGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225384020 KVOAQLCQGSGAKR-IRXDYDNUSA-N 427.501 3.478 5 40 IGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409346969 OZZVMWSUAOATAP-UHFFFAOYSA-N 429.458 3.042 5 40 IGBB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 953256 STBMWAAWDGFORN-JTSKRJEESA-N 449.573 3.423 5 40 IGBB CNc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] 9948191 QPXWPAPNQYGTFO-CQSZACIVSA-N 425.441 3.035 5 40 IGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2C)cc1 13955902 VAITWPZCZPHHMM-UHFFFAOYSA-N 443.485 3.062 5 40 IGBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N(C(C)=O)N1C 16682595 JSZGCMBCQSXHKT-LJQANCHMSA-N 445.863 3.339 5 40 IGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1OC 19929161 YBIYAZUBYXBXTB-UHFFFAOYSA-N 430.442 3.317 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 224937136 RAFIZEBPNOWIKI-UHFFFAOYSA-N 431.942 3.491 5 40 IGBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 408566616 ARFZSYRAPHYRQU-UHFFFAOYSA-N 432.864 3.039 5 40 IGBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cnc32)cc1C 10252076 KQTSBBFIYBPMBO-UHFFFAOYSA-N 438.831 3.145 5 40 IGBB Cc1c(NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cccc1[N+](=O)[O-] 14136905 XXCPIOWVDGALRR-UHFFFAOYSA-N 436.453 3.056 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 17884925 GZEQEFZTLJYHLO-FSSWDIPSSA-N 445.431 3.347 5 40 IGBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223472289 CDFACQQTOSRXBU-QGZVFWFLSA-N 427.501 3.480 5 40 IGBB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224174758 GWSJFCZNDISBSI-IBGZPJMESA-N 443.500 3.234 5 40 IGBB Cc1ccc(NC(=O)CSCC(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1 8881097 VDGCFLDZXNRILP-UHFFFAOYSA-N 449.460 3.204 5 40 IGBB CCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 11692089 WUUPIJIZVJXOER-UHFFFAOYSA-N 432.436 3.461 5 40 IGBB Cc1ccc(C(=O)NCC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1[N+](=O)[O-] 12814644 HMYJLFAFORKDOJ-UHFFFAOYSA-N 435.484 3.094 5 40 IGBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 22140776 BNYCRZJDHTXXRV-INIZCTEOSA-N 434.517 3.436 5 40 IGBB Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)ncn1 79045583 SZZASDKSBFFPMW-UHFFFAOYSA-N 438.532 3.328 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 102530295 SZXYXMSXHZEREB-ZPLOVTKXSA-N 429.432 3.405 5 40 IGBB CC(C)OC(=O)C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] 10517652 PHHPGCVBMJLUFD-INIZCTEOSA-N 428.413 3.234 5 40 IGBB Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 13149188 CCRAIPKDNFRHOT-UHFFFAOYSA-N 433.486 3.095 5 40 IGBB CC(C)COC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 13564587 YAOJLVKSVMJFBW-NVJIOZQYSA-N 449.500 3.033 5 40 IGBB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(Br)c([N+](=O)[O-])c1 14678694 HYWYXVYPOZLDJQ-UHFFFAOYSA-N 444.167 3.349 5 40 IGBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2)cccc1[N+](=O)[O-] 13843099 ZLCINCOQEPIEIX-UHFFFAOYSA-N 433.486 3.142 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 30849806 HSVJJWUMRRDYOG-GOSISDBHSA-N 431.514 3.208 5 40 IGBB CCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176337 MPMHHCJVTWLPOY-MEFGMAGPSA-N 448.454 3.116 5 40 IGBB CC(C)n1cc(CC(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 524730800 XSHNDHSQHLOTRL-FUHWJXTLSA-N 434.496 3.481 5 40 IGBB biogenic CCOC(=O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC)c1cccc([N+](=O)[O-])c1 8868266 NAZNEZJZKGBRBN-HNNXBMFYSA-N 442.877 3.230 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 12514754 NKXFEQFJUUVFOL-OLZOCXBDSA-N 437.440 3.149 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 19645801 WQDJHTXLCBVXMN-UHFFFAOYSA-N 447.429 3.345 5 40 IGBB Cc1cccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)n1 96993527 BNCUJZQYUVPCEV-MHWRWJLKSA-N 446.872 3.418 5 40 IGBB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)o1 9285793 BMRSHTZYCZPNJZ-UHFFFAOYSA-N 443.456 3.244 5 40 IGBB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)c(OC)c2)c([N+](=O)[O-])c1 10185171 LBOXBSLRLVSSHE-ZDUSSCGKSA-N 428.445 3.178 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 220390900 DLGZCLURROLRRR-HNNXBMFYSA-N 435.502 3.484 5 40 IGBB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220404905 COQKITQDXOZKKQ-NSHDSACASA-N 446.312 3.373 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536911 ODDGQXOPJPRQMR-INIZCTEOSA-N 427.429 3.365 5 40 IGBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)n1 2312337 KWPZWTYFPWXERH-BJMVGYQFSA-N 439.453 3.146 5 40 IGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 9056369 ZPPBLSSUVJKECH-CAZKKTPXSA-N 441.399 3.380 5 40 IGBB COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 9669131 NVGNFWPKYWCHMX-UHFFFAOYSA-N 448.932 3.402 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 13424580 BMZPCEGXIALMSL-UHFFFAOYSA-N 444.429 3.038 5 40 IGBB C[C@H](OC(=O)c1cnn2c(-c3ccccc3)ccnc12)C(=O)Nc1ccccc1[N+](=O)[O-] 32922095 DNXAHIMKGKZKHO-AWEZNQCLSA-N 431.408 3.489 5 40 IGBB CCn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 35341386 OAFDSEQAAXXVDS-UHFFFAOYSA-N 443.460 3.250 5 40 IGBB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 58160417 FIJQUMVIXMAPTD-UHFFFAOYSA-N 437.269 3.257 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547674 CFIHRGJJOXAYPD-HNNXBMFYSA-N 443.428 3.065 5 40 IGBB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)CS(=O)(=O)C2 3008485 CJYTWQJGNWTOFE-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB COc1cc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc(OC)c1OC 9011863 WLOVUTJNSFLWTM-UHFFFAOYSA-N 428.401 3.242 5 40 IGBB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24191967 YKHYJMFOAJRVGN-UHFFFAOYSA-N 449.511 3.223 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1 219998351 MPWMHTSGRSIPLR-UHFFFAOYSA-N 433.486 3.276 5 40 IGBB O=C(O)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccc(Cl)cc1 547873955 HFAYKNLPRIEVTD-LLVKDONJSA-N 433.269 3.123 5 40 IGBB COc1cc(Cl)c(C)cc1Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 9124839 CENOLASMWFDEIJ-UHFFFAOYSA-N 441.893 3.330 5 40 IGBB C[C@@H](C(=O)Nc1ccccc1Br)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220402473 DAHBKEMWIPBUDT-NSHDSACASA-N 442.291 3.151 5 40 IGBB COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)C[S@@](=O)C3)cc1 11726343 PAHRZNKFQXBLNQ-PMERELPUSA-N 426.454 3.112 5 40 IGBB COc1ccc(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 12499967 OQBBEBCPKQQQBP-UHFFFAOYSA-N 444.513 3.203 5 40 IGBB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408673121 YVCZIHWGBNPSJS-INIZCTEOSA-N 425.441 3.000 5 40 IGBB CC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)cc1 2072194 XTEBRCQTVMENNX-UHFFFAOYSA-N 441.469 3.236 5 40 IGBB O=C(NCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 2746515 OWEMGEJLWNOHEB-UHFFFAOYSA-N 434.408 3.363 5 40 IGBB CN1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1 8793189 OTOWVGMVXJFRJT-UHFFFAOYSA-N 433.489 3.347 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1cccc([N+](=O)[O-])c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 9056366 ZPPBLSSUVJKECH-YQORSWRPSA-N 441.399 3.380 5 40 IGBB O=C(Nc1nnc(C2CC2)s1)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9097220 MDXYOLTVBKGALG-UHFFFAOYSA-N 445.482 3.377 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c(OC)c(OC)c1 9125273 BSQKZZXBQSAMCW-JTQLQIEISA-N 438.820 3.458 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545197 CXCAMSUJNGXORU-HNNXBMFYSA-N 441.893 3.440 5 40 IGBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 4963707 YZWWWWJLZBAYMQ-MFUUIURDSA-N 438.440 3.242 5 40 IGBB CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 9086868 OGZZUZJQCUFIAQ-CPUCHLNUSA-N 443.403 3.493 5 40 IGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccccc1Cl 12562778 YORAATLHRVEQMG-AWEZNQCLSA-N 438.937 3.357 5 40 IGBB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 12805320 HTBXYCSVWLORJT-SNVBAGLBSA-N 440.239 3.202 5 40 IGBB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@H]3N3CCCN23)cc1 19171569 QKJYOWDIFZIZCD-FHWLQOOXSA-N 426.860 3.092 5 40 IGBB O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 32798294 HCPSKDIUKMAICK-UHFFFAOYSA-N 431.401 3.493 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccc([N+](=O)[O-])c1 409126076 DOWYKMRKTNXOQC-UHFFFAOYSA-N 441.469 3.391 5 40 IGBB CCS(=O)(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9373539 OSKTWUXTJZKKBY-UHFFFAOYSA-N 439.298 3.447 5 40 IGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccc2c(c1)OCCO2 9492674 XQGZENKQQWNBDT-UHFFFAOYSA-N 440.330 3.223 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCCc1ccccc1 22278242 RPOVJKKJNFJUTN-UHFFFAOYSA-N 439.493 3.149 5 40 IGBB CCOc1cccc(NC(=O)[C@@H](CC)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222541272 FIUVMLSOCBZUGF-GOSISDBHSA-N 435.502 3.485 5 40 IGBB CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC(=O)Nc1ccc(F)c(F)c1F 9462576 RLOSQHQCOABWBP-UHFFFAOYSA-N 430.770 3.175 5 40 IGBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccc(F)cc1)C2=O 13591418 GTAWYQXMOVFEOI-AVRDEDQJSA-N 440.431 3.164 5 40 IGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(NS(=O)(=O)c2cccs2)cc1 15093183 AHXDERCQUUISJC-UHFFFAOYSA-N 446.510 3.299 5 40 IGBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@]32CSC(=O)N2)cc1OC 16768109 WFDBUFCDVRPJEF-FOIQADDNSA-N 442.453 3.266 5 40 IGBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1cccc(F)c1 408602193 AZSHXJMQNCKWOR-RMKNXTFCSA-N 426.360 3.123 5 40 IGBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)nc(C)n1 3277417 HEUPJLHGYWGTAY-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 58160518 GLNXVOOSACAGRO-ZDUSSCGKSA-N 433.852 3.306 5 40 IGBB COc1ccc(N(CC(=O)N[C@@H](C)C(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 225194033 ZDGGWTVXIZRRQA-INIZCTEOSA-N 449.529 3.268 5 40 IGBB COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@H]21 225420286 PWDXABLHFDFFEB-WBVVSNMSSA-N 426.421 3.201 5 40 IGBB biogenic,in-vitro COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 10433866 NOSXOKVKOXWUKN-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O 10452482 HVZUSDZDWFBFOV-UHFFFAOYSA-N 427.438 3.300 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 15971215 DOFNEERPAASDCH-ZHRMCQFGSA-N 428.448 3.366 5 40 IGBB CC(C)c1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23078672 RKYYMFODRDXBAV-UHFFFAOYSA-N 427.457 3.350 5 40 IGBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 40105213 KTIOFOTYEOCPLM-UHFFFAOYSA-N 443.485 3.063 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224010352 QUTZTQIUILWISD-INIZCTEOSA-N 445.541 3.390 5 40 IGBB COc1ccc([C@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2c[nH]c3ccccc23)cc1 559684337 SBTUFSYUSKFCSX-NQIIRXRSSA-N 435.484 3.064 5 40 IGBB COc1ccc(-n2cnn(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2=S)cc1 12564820 IQAPMVSYXJPPQU-UHFFFAOYSA-N 426.502 3.100 5 40 IGBB COc1ccc(CCN(C)C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC 14197788 LGGGFMQDPNDOOF-UHFFFAOYSA-N 436.848 3.123 5 40 IGBB CCOc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 20289946 QUHCPARHRGPOJG-UHFFFAOYSA-N 449.515 3.432 5 40 IGBB O=[N+]([O-])c1cccc(-c2noc(CN3CCN(CCOc4ccc(Cl)cc4)CC3)n2)c1 25923224 MAEDVTCFTSWILS-UHFFFAOYSA-N 443.891 3.495 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3nc2C)c([N+](=O)[O-])c1 36776289 CZKQNIKLAHCSOM-UHFFFAOYSA-N 430.486 3.456 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(Cl)c3)CC2=O)cc1[N+](=O)[O-] 138898817 FDWVENGBBOWJGF-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534047 VTWXLSRONJTZIW-IBGZPJMESA-N 431.514 3.033 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1 408689455 YETJUYQNCAMDGQ-IAGOWNOFSA-N 435.436 3.010 5 40 IGBB CC(C)COC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 850473 IZHDOYFZHYAAEQ-UHFFFAOYSA-N 439.424 3.032 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 10452741 XMKFNPAUYGYOME-QGZVFWFLSA-N 426.816 3.381 5 40 IGBB Cc1ccsc1CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 16742570 BHYGRPGBHVPMLJ-ZDUSSCGKSA-N 428.919 3.448 5 40 IGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])c1 3300128 YJJVTGKMYJNCQG-UHFFFAOYSA-N 427.196 3.484 5 40 IGBB COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 15881285 GPFSDEGCBIWZKZ-UHFFFAOYSA-N 437.437 3.320 5 40 IGBB C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N=C(O)N(c4ccccc4)C3=O)[C@@H]2C1 16956648 DNKZQXNZKRSEHO-OTURYTIQSA-N 434.452 3.230 5 40 IGBB CC[C@@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@@H](O)c1c(F)cccc1F 72302500 XVTJPESLWJXOKV-DNVCBOLYSA-N 443.472 3.484 5 40 IGBB CCOP(=O)(OCC)[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(F)(F)F 9086637 NEFNHDKUCIZDQT-GFCCVEGCSA-N 429.244 3.387 5 40 IGBB CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1 40145518 LNUZDBKZCQYCTP-UHFFFAOYSA-N 431.514 3.478 5 40 IGBB CC(C)Oc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220108763 LVUMPLXWLLLZSD-UHFFFAOYSA-N 441.893 3.440 5 40 IGBB O=c1c2c3nc4ccccc4nc3n(CCN3CCCCC3)c2ncn1Cc1ccco1 2252556 YMJUHEKKPLROJC-UHFFFAOYSA-N 428.496 3.422 5 40 IGBB O=C(/N=c1\sn(-c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1)NCc1ccccc1 3844398 PJGFRGVMWSOTCC-FLFQWRMESA-N 447.476 3.408 5 40 IGBB COc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24900943 GEEYSOOIGAJDEX-OAHLLOKOSA-N 427.457 3.390 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N(CCO)Cc1ccccc1 72272754 QORNLHOBOQSJFA-UHFFFAOYSA-N 433.530 3.158 5 40 IGBB CC(C)COC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 102694143 YAOJLVKSVMJFBW-ISHFTEKXSA-N 449.500 3.033 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)S(C)(=O)=O 224871806 NDTBKHBBHMKCTQ-UHFFFAOYSA-N 447.391 3.207 5 40 IGBB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225006198 GMRHWGTURJIDAT-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 225838173 JCDAQHKWEGKIET-UHFFFAOYSA-N 433.471 3.116 5 40 IGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(C)n1C[C@H]1COc2ccccc2O1 2636464 ITZBQFKUYCOTFV-HNNXBMFYSA-N 440.408 3.486 5 40 IGBB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(CCn2cc([N+](=O)[O-])cn2)o1 2803787 QFGLKNVNWZLLPP-QMMMGPOBSA-N 446.212 3.231 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1 9492971 XTVLJJPWSCAGLP-UHFFFAOYSA-N 439.440 3.221 5 40 IGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)nn1 9627087 SUJGQSZROCAVOK-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB CC(C)Oc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 22400387 LATRRIXOZWQLFB-UHFFFAOYSA-N 441.893 3.440 5 40 IGBB CCOc1cc2c(cc1CNC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@@H](C)C2 26386937 FUUZDYTVNRGMST-HNNXBMFYSA-N 441.484 3.084 5 40 IGBB COc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c([N+](=O)[O-])c1 32437856 OKYMDZXEXDFMIM-UHFFFAOYSA-N 433.417 3.408 5 40 IGBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 35808621 DOFNEERPAASDCH-SNYIIPAISA-N 428.448 3.366 5 40 IGBB CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@@H]1[N+](=O)[O-] 101534006 PZIQMTLYSMCNCR-BDXSIMOUSA-N 445.388 3.205 5 40 IGBB CC(C)COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408638340 BXAXWROTPZAJKU-INIZCTEOSA-N 425.441 3.399 5 40 IGBB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 408640625 BAZRDQANWMMBKP-QAPCUYQASA-N 426.425 3.161 5 40 IGBB CCCc1noc(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 24840667 VYFOYPMTPXVDLG-UHFFFAOYSA-N 441.410 3.231 5 40 IGBB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224218760 GWYKIGXYIMKVSM-LJQANCHMSA-N 443.500 3.234 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225854024 JJBWKGSRZXTHPX-YJBOKZPZSA-N 449.529 3.334 5 40 IGBB Cn1c(CC(=O)Nc2ccc(F)cc2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9426759 IRFIKUAXPQLXBV-UHFFFAOYSA-N 429.433 3.019 5 40 IGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)c(OC)c1 12624880 MMFUZPZMPBZQBD-GOSISDBHSA-N 428.470 3.044 5 40 IGBB COc1ccccc1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 13039982 ZBBADYPAEREWIV-UHFFFAOYSA-N 438.406 3.383 5 40 IGBB CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)CC)CC2)cc1[N+](=O)[O-] 13946133 RVWHPVXCMUVKLO-UHFFFAOYSA-N 426.473 3.304 5 40 IGBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC2=O)cc1 9544988 KLKDEMLITOMABI-CQSZACIVSA-N 445.859 3.345 5 40 IGBB CCc1cccc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17095901 OXQRZFGINRHFIG-UHFFFAOYSA-N 428.514 3.429 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 20008090 RBWNTLWKCKKGPH-HXUWFJFHSA-N 443.456 3.262 5 40 IGBB O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 22535038 HWTMUSJDMFBNEH-UHFFFAOYSA-N 429.420 3.266 5 40 IGBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N(C(C)=O)N1C 16682596 JSZGCMBCQSXHKT-IBGZPJMESA-N 445.863 3.339 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(C)cc2)CC1 19867867 CLQADGFGXZJDOC-UHFFFAOYSA-N 447.513 3.092 5 40 IGBB COC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106729326 NZBYRWUBVDCYPX-YVLHZVERSA-N 428.422 3.383 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 222668396 HTKWINXBNWWZHT-INIZCTEOSA-N 443.500 3.314 5 40 IGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCC1CCCCC1 223529544 UPULUJLFPIQONU-UHFFFAOYSA-N 431.514 3.487 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C(=O)NCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 32797287 QZHKPBRHCFOAAZ-FQEVSTJZSA-N 434.456 3.102 5 40 IGBB O=C(CSC1=NS(=O)(=O)c2cc(Cl)ccc2N1)Nc1cccc([N+](=O)[O-])c1 9762004 DXRCWXZFAXKRRG-UHFFFAOYSA-N 426.863 3.090 5 40 IGBB O=C(CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 13137163 HKHDXJHBDCKBLX-UHFFFAOYSA-N 432.502 3.210 5 40 IGBB O=C(c1ccc([N+](=O)[O-])s1)N(CCN1CCOCC1)c1nc2c(F)cccc2s1 22998290 WGWVTWCXSOHIQW-UHFFFAOYSA-N 436.490 3.384 5 40 IGBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc(F)cc2F)cc1 32640697 PTZQTMVSGQGCII-DOTOQJQBSA-N 439.465 3.148 5 40 IGBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 89774623 CBNMXCAVXCOHLH-OAQYLSRUSA-N 426.860 3.254 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687791 VDBCSNDTDMLGPK-PMACEKPBSA-N 447.447 3.176 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 2773618 JZAMGSJBFPHGCY-UHFFFAOYSA-N 433.833 3.091 5 40 IGBB O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1 3165941 DJCBVDUXZIBPKG-UHFFFAOYSA-N 432.392 3.076 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O 12462379 CEXOLORPRQKPFI-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 16476685 DUCHAKXIVGBPNN-UHFFFAOYSA-N 438.431 3.451 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2)CC1=O 408644883 TYRWZNQWIIJDEQ-LLVKDONJSA-N 434.246 3.358 5 40 IGBB Cc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 408663997 YMSHDTDFYHISFZ-BGYRXZFFSA-N 447.447 3.095 5 40 IGBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 9123007 KFFPHOXYTVQCGS-IJHUGTEESA-N 448.479 3.021 5 40 IGBB CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccccc2OC)n1 9234283 ARQCTSGZTDGSCV-BUVFEPMLSA-N 428.489 3.328 5 40 IGBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 13739168 ZDPYMGISAFBJDY-GFCAVMEOSA-N 440.484 3.274 5 40 IGBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C(c1ccccc1)=NN=2 13739169 ZDPYMGISAFBJDY-QDUHJBTASA-N 440.484 3.274 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 39964016 KWDUGGMABHDUEO-QFBILLFUSA-N 435.440 3.040 5 40 IGBB C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100177652 POQDZIIEHKXSAI-NSHDSACASA-N 432.349 3.035 5 40 IGBB Cc1c(NC(=O)CN(c2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220045772 RXODUIICDVSGSC-UHFFFAOYSA-N 431.392 3.327 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223036989 QCGHIWGQBKEETI-AWEZNQCLSA-N 448.317 3.453 5 40 IGBB COc1cc(/C=C2/NC(=O)NC2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 408919198 UQXGMDFEZZYNGV-MKMNVTDBSA-N 448.229 3.125 5 40 IGBB O=C(NCc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 2748404 WAFGNFHLBSBTHP-UHFFFAOYSA-N 434.408 3.363 5 40 IGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl 9963491 JEGZOACMBNJIGS-ZDUSSCGKSA-N 425.894 3.442 5 40 IGBB CCOc1cc2c(cc1NC(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)O[C@H](C)C2 12634586 ZXPAGFNMUZDZHN-CQSZACIVSA-N 427.457 3.406 5 40 IGBB O=C(C[C@@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411251 DLSVXLIMKNJFIX-QFBILLFUSA-N 435.440 3.040 5 40 IGBB CCOc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218293869 ATVSHVOPWGJFGL-GFCCVEGCSA-N 441.893 3.440 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408687213 TWVCWZIBZPCVAY-PKOBYXMFSA-N 447.447 3.176 5 40 IGBB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)o2)c1 17227497 MAHARBGEPLSDFZ-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB CS(=O)(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2n1CC(=O)O 96930499 NDFGXQPRQBSVQO-CXUHLZMHSA-N 435.845 3.225 5 40 IGBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)n1 2074719 MSVHWCACAVGLMX-UHFFFAOYSA-N 427.442 3.055 5 40 IGBB O=C1N(c2cccc([N+](=O)[O-])c2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 8828340 LZKKIFRJBZMUPV-HOTGVXAUSA-N 441.387 3.226 5 40 IGBB CSc1nnc(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1-c1ccc([N+](=O)[O-])cc1 9369037 PVXCJGXEAACYAR-UHFFFAOYSA-N 428.430 3.044 5 40 IGBB O=Cc1cc([N+](=O)[O-])ccc1SC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13574180 QACNQRKXFQMKEN-UHFFFAOYSA-N 445.522 3.331 5 40 IGBB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 22257472 XGRAUPQNFPSLCA-UHFFFAOYSA-N 442.428 3.008 5 40 IGBB Cn1c(=O)nc2n(-c3ccc(N4CCCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497874 YAVAWYMQAHIITP-UHFFFAOYSA-N 445.479 3.478 5 40 IGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 106710799 GQJZXSKMVZQFAP-YBEGLDIGSA-N 443.437 3.374 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220362619 MHQKDYJEJDDTSO-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB CCOC(=O)c1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(-c2ccccc2)n1 408526888 CANFQLBIXQATJZ-UHFFFAOYSA-N 426.341 3.085 5 40 IGBB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)o2)c1 408553192 OVKWIMMPKNTVAO-UHFFFAOYSA-N 446.441 3.401 5 40 IGBB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])n2)n1 9662420 UGXCLVCHLGLGCC-UHFFFAOYSA-N 447.810 3.380 5 40 IGBB O=C(CSc1nc(=O)n(Cc2cccs2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 10186755 LVKZAYAOPRDALR-UHFFFAOYSA-N 442.522 3.481 5 40 IGBB Cc1cc(I)ccc1Nc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] 16282768 DGYJHVVMYICDOO-UHFFFAOYSA-N 437.197 3.071 5 40 IGBB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223462303 WWORKXPZGDIREJ-HXUWFJFHSA-N 429.542 3.424 5 40 IGBB COC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408749826 JCQOJSVFNCBCGN-UHFFFAOYSA-N 447.450 3.420 5 40 IGBB COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC(C)=O 9041829 FHAHIDOFBUVKCK-CHHVJCJISA-N 426.381 3.190 5 40 IGBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N[C@@H](C)c1ccccc1 9053818 IXCXKTJQLRBPDE-HOTGVXAUSA-N 447.513 3.024 5 40 IGBB CC(C)c1ccc(-c2nnn(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCCCO4)n2)cc1 10450705 CDLQJTHWODCHDQ-UHFFFAOYSA-N 438.444 3.172 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 12556363 SQOGZPAUYIFRGW-OAQYLSRUSA-N 438.484 3.122 5 40 IGBB CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13504062 GRMSWWIWWMWREX-HXUWFJFHSA-N 439.495 3.387 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 22389615 VOLCUZZFCSRARW-UHFFFAOYSA-N 429.454 3.016 5 40 IGBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCc2ccc(F)cc21 509049227 QZNRQJVWPQVZJZ-INIZCTEOSA-N 447.488 3.114 5 40 IGBB O=C(COCc1cc(-c2cccs2)on1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20479893 XCRJVODMIMWWQL-UHFFFAOYSA-N 428.470 3.177 5 40 IGBB O=C(NC[C@H]1CCCCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 72309258 QNDPTOZELPSWQM-HXUWFJFHSA-N 433.468 3.205 5 40 IGBB O=C(CCCSc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9643736 VNBRRVNQJWMWHY-UHFFFAOYSA-N 449.554 3.000 5 40 IGBB Cn1/c(=N\C(=O)CCS(=O)(=O)c2ccc(Cl)cc2)sc2cc([N+](=O)[O-])ccc21 12237956 XLGOKQZGODCCCH-HTXNQAPBSA-N 439.902 3.093 5 40 IGBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 16491524 APHJVDDQMLKUEB-UHFFFAOYSA-N 433.467 3.196 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1cc(F)cc(F)c1 57574420 WUYHAPYDFUIIGD-UHFFFAOYSA-N 427.411 3.182 5 40 IGBB COc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccc(C)cc3)CC2)cc1[N+](=O)[O-] 408608953 NGGDPKXRNMPZCM-LJQANCHMSA-N 441.484 3.276 5 40 IGBB COc1cc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 864527 RSLSNBDBJLVBAK-SFHVURJKSA-N 440.499 3.057 5 40 IGBB CCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccncc1 9284795 ZHWRRDDHNNSKRS-UHFFFAOYSA-N 428.474 3.398 5 40 IGBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1[N+](=O)[O-] 10153435 AGPGMJCGKYTUNN-OAHLLOKOSA-N 426.820 3.337 5 40 IGBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17098369 QTLIFHGRYBVWMS-UHFFFAOYSA-N 433.421 3.369 5 40 IGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(I)c1 35999671 KSEIJNVEYJTVKD-UHFFFAOYSA-N 443.222 3.032 5 40 IGBB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223462244 WWORKXPZGDIREJ-FQEVSTJZSA-N 429.542 3.424 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NCCc1c[nH]c2ccccc12 9220847 QXKQDTLTLPPLGX-UHFFFAOYSA-N 436.468 3.192 5 40 IGBB CCCn1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2c1=O 12658627 HAAPQWAEEMMZQJ-UHFFFAOYSA-N 444.831 3.164 5 40 IGBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)sc2ccccc12 15431499 ZCYDAQMPLCKTCJ-UHFFFAOYSA-N 445.522 3.265 5 40 IGBB C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220407838 ILZVSRKQENDDGA-KRWDZBQOSA-N 445.541 3.231 5 40 IGBB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224388181 YJGLCNOVQGQQJC-GOSISDBHSA-N 447.463 3.065 5 40 IGBB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408652324 CGPAMMQWHZEWSR-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 9356129 XIZXXSMPJMTFCN-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22907500 IPLQAWGIZITOCD-HXUWFJFHSA-N 434.452 3.042 5 40 IGBB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 29939853 BZGCSGLLRRMGLP-GOSISDBHSA-N 439.921 3.372 5 40 IGBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(I)c1OC 107610460 VRNKTUFQDZBWDX-UHFFFAOYSA-N 428.182 3.469 5 40 IGBB CC(C)n1cc(CC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 888088921 XSHNDHSQHLOTRL-AEFFLSMTSA-N 434.496 3.481 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 9088366 JGJNCKXJUIJLJL-UHFFFAOYSA-N 449.529 3.205 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1CC(C)(C)Oc2ccccc21)S(C)(=O)=O 22374840 FJPKJCKWCJTREE-KRWDZBQOSA-N 447.513 3.088 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1 990372 IFHFJKXKFBHQNN-UHFFFAOYSA-N 430.372 3.435 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 8980922 HSPCARNPVFWFKZ-PXNSSMCTSA-N 449.573 3.485 5 40 IGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C4CCCCC4)c3nc12 100627842 BGYSXUYODRVXGF-UHFFFAOYSA-N 431.496 3.465 5 40 IGBB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 3595241 DJRMZCZBPZMCQB-HXUWFJFHSA-N 430.848 3.352 5 40 IGBB COc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9633612 GMDDJYFJLJVOMK-UHFFFAOYSA-N 428.319 3.183 5 40 IGBB CCOC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113876810 SNHFKBKYNHPHBC-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB COc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 8709054 QHFQECQJZMWWMV-UHFFFAOYSA-N 447.494 3.499 5 40 IGBB COc1ccc([C@@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1OC 9509110 XSUOPNORKASNLL-LJQANCHMSA-N 428.489 3.219 5 40 IGBB O=C(C[C@@H](NCCNc1ccccc1[N+](=O)[O-])C(=O)O)Nc1ccc(Cl)cc1Cl 65090386 LCPJYLBYTNNCPH-OAHLLOKOSA-N 441.271 3.385 5 40 IGBB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 9699590 NSOQAIGQGDYPPD-NSHDSACASA-N 427.866 3.050 5 40 IGBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1O 20153224 MCEZTWFMBGUFJM-UHFFFAOYSA-N 444.469 3.116 5 40 IGBB NC(=O)c1cc(-c2csc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)n2)c[nH]1 32901927 UQGPOGYDFRWTNH-UHFFFAOYSA-N 443.488 3.344 5 40 IGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cccc2C(=O)O)c(C)c1 58171300 VSCMKRLBMBUAEF-UHFFFAOYSA-N 431.426 3.202 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccc([N+](=O)[O-])c1 409137400 WGIPGPXHVZBHAD-UHFFFAOYSA-N 427.442 3.302 5 40 IGBB COC1(OC)OC(c2ccc([N+](=O)[O-])cc2)=C(c2ccc([N+](=O)[O-])cc2)OC1(OC)OC 1585184 UEHYSKJLBPDCBS-UHFFFAOYSA-N 448.384 3.269 5 40 IGBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC)CC3)cc2)cc1[N+](=O)[O-] 4120495 QRFHQEFGDUSCKO-UHFFFAOYSA-N 426.473 3.304 5 40 IGBB CCOC(=O)C1=C(C)NC(=N)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 107972009 WYKOAZUDVXVOSG-FQEVSTJZSA-N 440.456 3.188 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10327365 TZAKATFNAHBWOD-GFCCVEGCSA-N 441.893 3.358 5 40 IGBB COc1cc(C(=O)N2CCC(C(N)=O)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 12792529 XLFKDWCXBYUGAX-UHFFFAOYSA-N 433.848 3.387 5 40 IGBB COc1c(C)cccc1C(=O)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14269098 VBRSTHRVAPPROZ-UHFFFAOYSA-N 448.932 3.402 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 20103551 LGYRVEIOFODPMV-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB Cc1ccc(S(=O)(=O)N(C)c2ccccc2I)cc1[N+](=O)[O-] 30835987 ZGEDPEOBYSWYJX-UHFFFAOYSA-N 432.239 3.333 5 40 IGBB CN(Cc1ccccc1F)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57488499 PPBIXGSUSKWWOC-UHFFFAOYSA-N 437.475 3.063 5 40 IGBB CC[C@H](C)Oc1c(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cccc1[N+](=O)[O-] 107757802 CKOWCHZPYYFXIA-GQVHDAKQSA-N 443.412 3.245 5 40 IGBB CCc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222369182 WLHFLSVKJXRQNP-UHFFFAOYSA-N 435.502 3.351 5 40 IGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cn1 409316590 ZPPOYUWVUPCRTP-DJWKRKHSSA-N 427.329 3.071 5 40 IGBB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1 6134724 FPQLFBLZLQHHOM-UHFFFAOYSA-N 433.486 3.484 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 22429729 MJWULXSIZMJWGM-UHFFFAOYSA-N 443.456 3.246 5 40 IGBB O=C1N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 8828342 LZKKIFRJBZMUPV-JKSUJKDBSA-N 441.387 3.226 5 40 IGBB COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 9356131 JSWBWTJODHLOKG-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccncc3)[C@H]2C(=O)N1Cc1ccccc1 102755729 JRUIPQJNOSVULG-NJDAHSKKSA-N 430.420 3.037 5 40 IGBB CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 224790838 KXCZRHZVCORHPE-SFHVURJKSA-N 449.529 3.254 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260810684 JJBWKGSRZXTHPX-QAPCUYQASA-N 449.529 3.334 5 40 IGBB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1)C(=O)c1ccccc1 408640624 BAZRDQANWMMBKP-MAUKXSAKSA-N 426.425 3.161 5 40 IGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCc2ccco2)cc1 20340908 SZOZUWOYHZMVLT-KPKJPENVSA-N 427.438 3.318 5 40 IGBB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410950 SJIRZSFZWOHZJC-UHFFFAOYSA-N 444.513 3.347 5 40 IGBB COc1cc(C(=O)NCc2nc(-c3ccc(F)cc3)c[nH]2)c([N+](=O)[O-])c(OC)c1OC 72298047 MBRLKOMWXNFGBV-UHFFFAOYSA-N 430.392 3.080 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccc(F)cc1 409366009 YMHONNILUKCJHR-SOFYXZRVSA-N 445.384 3.138 5 40 IGBB C[N+](C)(CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1)COC(=O)c1ccccc1 5004711 RWTVXXCUUCFFKF-RUZDIDTESA-N 426.533 3.499 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(c2ccccc2)CC1 13031475 BOHGAJJHFFASDM-UHFFFAOYSA-N 444.557 3.486 5 40 IGBB COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611753 ALVQZWXKQYRONX-UHFFFAOYSA-N 436.262 3.455 5 40 IGBB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 84510402 ITANFWUKEAHAIW-JOCHJYFZSA-N 432.521 3.283 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139137832 BQIFAIIKAXAXCT-CDHQVMDDSA-N 449.463 3.256 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408570735 LZMRNCTXABHSKX-ZSOARMDNSA-N 446.301 3.416 5 40 IGBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1[N+](=O)[O-] 9190660 KRTBOMGLVDGKMS-DEOSSOPVSA-N 446.415 3.331 5 40 IGBB CC(C)COC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 9331628 FSIMUIITLVUBGL-AWWSKVOZSA-N 449.500 3.033 5 40 IGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1COc2ccccc2O1 30996690 PAFSETUPOXTVHP-ZDUSSCGKSA-N 440.378 3.165 5 40 IGBB CCOCCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 9403159 FZJRZOFUSQPVIH-UHFFFAOYSA-N 442.497 3.462 5 40 IGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2cc3c(cc2Br)OCO3)C1=O 13113377 MFYVHSFECIXWTC-GOSISDBHSA-N 448.229 3.053 5 40 IGBB COc1ccccc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 100943219 DLMALLWDACOCFI-RBBKRZOGSA-N 442.431 3.386 5 40 IGBB C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 107361827 ZBCCQWRJRFLURP-SUMWQHHRSA-N 440.466 3.429 5 40 IGBB COC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765828 GHCHUYIYAJKVOT-UHFFFAOYSA-N 432.410 3.178 5 40 IGBB CC(=O)c1ccc2c(c1)OCCOCCOc1cc([N+](=O)[O-])ccc1OCCOCCO2 8892738 YTVVACXZEZRFJY-UHFFFAOYSA-N 447.440 3.060 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)c(OC)c(OC)c1 9125274 BSQKZZXBQSAMCW-SNVBAGLBSA-N 438.820 3.458 5 40 IGBB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1 9403372 FULKUNBPRIFCLO-UHFFFAOYSA-N 448.892 3.350 5 40 IGBB CC(C)CSc1ccc(S(=O)(=O)NCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 9438815 KTXUSEPLJSLSII-UHFFFAOYSA-N 429.564 3.070 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 17044421 XTYQJDDJSCXYNN-GQOCTPOGSA-N 428.448 3.366 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1cccc(F)c1 409225189 JRFMXZGBLPDFJI-BNCCVWRVSA-N 445.384 3.138 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 8722154 XBKJSDHHZMFCDJ-MRXNPFEDSA-N 446.441 3.329 5 40 IGBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC[C@@H]1CCCO1 9295512 VHUKCVQEIMQASY-DYLHUKMJSA-N 431.445 3.134 5 40 IGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 9714635 FCGJYSVIULRVTI-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB Cc1ccc2c(c1)[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)CC(C)(C)O2 22348219 KLYDEJOVWMSVDY-GOSISDBHSA-N 447.513 3.088 5 40 IGBB O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)N1 36056655 OHQJZGUTAFDIPH-ZQIUZPCESA-N 443.765 3.352 5 40 IGBB Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)N(C(=O)OC(C)(C)C)Cc2ccc(F)cc21 95454645 QODOQGTWTJSVRV-ZDUSSCGKSA-N 447.467 3.411 5 40 IGBB CCOC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 96997401 QVXJUJYTTPWJCR-IBGZPJMESA-N 431.876 3.310 5 40 IGBB CCOc1ccccc1-c1noc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)n1 11378577 RFCAMKPPWDEWQY-OAQYLSRUSA-N 437.412 3.011 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 13145318 CGEYXIBPOXVLLP-AWEZNQCLSA-N 433.486 3.419 5 40 IGBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13659159 HELTVISIBNMGKY-QHAWAJNXSA-N 431.404 3.352 5 40 IGBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1[C@@H]1CCS(=O)(=O)C1 24628236 KHLSNDLGPMXCKJ-CQSZACIVSA-N 426.878 3.288 5 40 IGBB CC1(C)Cc2cccc(OCC(=O)OCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2O1 28614729 UZRWRELPOFKTJY-UHFFFAOYSA-N 425.397 3.481 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 218437913 ICLNAUOMUDDHMP-FQEVSTJZSA-N 439.449 3.190 5 40 IGBB CSc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 224073207 PWXYMUAKDPCFKJ-UHFFFAOYSA-N 429.907 3.229 5 40 IGBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3ccc([N+](=O)[O-])cc3)nc21 2231453 XJUNYWQPYXCXHG-UHFFFAOYSA-N 428.404 3.465 5 40 IGBB CC(C)[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13505432 OAWFXFHXSOSZIR-JOCHJYFZSA-N 435.532 3.343 5 40 IGBB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cc1[N+](=O)[O-] 59328808 RTRAKUWHDQTGAJ-CQSZACIVSA-N 433.486 3.276 5 40 IGBB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005963 HPHOQFOSESVATL-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 517650425 OXXWCNNKIHQJCJ-GOSISDBHSA-N 443.525 3.283 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 12894041 NPKLVAKNINRHNW-UHFFFAOYSA-N 442.497 3.065 5 40 IGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(F)cc1 22429815 JGXQUUWAMBSGOC-UHFFFAOYSA-N 443.456 3.246 5 40 IGBB CSc1nc([N+](=O)[O-])nn1-c1nc([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1 95116168 XTJWKVVGNOSARI-UHFFFAOYSA-N 438.429 3.035 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520468 AVHDYXDCABUDPQ-INIZCTEOSA-N 441.893 3.440 5 40 IGBB COc1ccccc1[C@@H](C)NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224331720 CJPRFECIZJKDMT-MRXNPFEDSA-N 449.529 3.335 5 40 IGBB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1c([N+](=O)[O-])ccc(C)c1C 9583784 YOPILZMTKZNJRG-UHFFFAOYSA-N 428.474 3.235 5 40 IGBB COC(=O)c1ccc(OC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(OC)c1 20006326 UAOPWTZCIQMDIF-UHFFFAOYSA-N 439.424 3.471 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CN(Cc2ccccc2)CCO1 24926287 RWRDPFIOPVYAPO-OAQYLSRUSA-N 441.531 3.172 5 40 IGBB Cc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C2CC2)cc1 25499997 WTQSUIYQMFMOKH-OAQYLSRUSA-N 431.514 3.487 5 40 IGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCCO2 9126126 AUQUUIQJNKPTAL-UHFFFAOYSA-N 441.440 3.152 5 40 IGBB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9403717 RSXVMBLPQRQAKD-UHFFFAOYSA-N 436.346 3.454 5 40 IGBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 9846600 ALZCEBDACOHEDU-IBGZPJMESA-N 436.428 3.131 5 40 IGBB CC(C)COC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 102694145 YAOJLVKSVMJFBW-QTDGGUCWSA-N 449.500 3.033 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1I 409411108 CENMJFPLYKBXQP-UHFFFAOYSA-N 448.238 3.317 5 40 IGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(C(=O)OCC)C2 9639210 HGATXCXAXYJVPH-UHFFFAOYSA-N 437.430 3.193 5 40 IGBB O=S(=O)(O)c1ccc2c(c1)Nc1cc3nc4ccc(S(=O)(=O)O)cc4nc3cc1N2 21985885 NSKLSNIHKLDUAI-UHFFFAOYSA-N 444.450 3.077 5 40 IGBB CCc1cc(N2CCC(NC(=O)c3cc(C)on3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 48308908 YBRKUPZVRHSDFL-UHFFFAOYSA-N 436.472 3.309 5 40 IGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1 101084550 KRGAGBPBKWRHHJ-QYQHSDTDSA-N 444.491 3.456 5 40 IGBB CCOc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222372826 GBWJMHDGNGKWIG-UHFFFAOYSA-N 435.502 3.487 5 40 IGBB COc1cc(/C=C2/NC(=O)NC2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409050754 ZJFYPJBIOFHTCQ-VGOFMYFVSA-N 448.229 3.125 5 40 IGBB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 8685395 MIVJWHYWYUQTTK-UHFFFAOYSA-N 425.319 3.368 5 40 IGBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccncc3)[C@H]2C(=O)N1Cc1ccccc1 9193465 JRUIPQJNOSVULG-NJYVYQBISA-N 430.420 3.037 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nc2ccccc2s1 12604605 XPVVGRWCHYFJDC-UHFFFAOYSA-N 437.524 3.377 5 40 IGBB O=C1[C@H]2C3c4ccccc4C(C(=O)O)(c4ccccc43)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13635425 CWMWBHQDFXSEDL-HRZAVBMWSA-N 440.411 3.230 5 40 IGBB O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 40043391 GZQOFXVARLXONI-WWKNUYBVSA-N 440.544 3.330 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 43732326 DOFNEERPAASDCH-JLGINSKQSA-N 428.448 3.366 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(I)cc1 225077204 MQAMQIPWGVAKMY-UHFFFAOYSA-N 432.239 3.333 5 40 IGBB Cc1cccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)c1 408529821 JMOPXRRTYODNRQ-NVMNQCDNSA-N 438.465 3.330 5 40 IGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 9562897 FDKHVVPONXOLMU-CQSZACIVSA-N 441.440 3.355 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222776374 GYCNTDURGMGYJS-UHFFFAOYSA-N 427.482 3.139 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(O)c(C(=O)O)c1)C2=O 3146422 AYQRSQVWQKCNMO-UHFFFAOYSA-N 432.344 3.030 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N=P(c1ccc(C)n1C)(N1CCOCC1)N1CCOCC1 9090591 UHDDRZPNQQKJCV-UHFFFAOYSA-N 447.476 3.203 5 40 IGBB CCOC(=O)c1c(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)sc(CC)c1C 9283770 MGEREGFJOFKVCL-UHFFFAOYSA-N 444.469 3.052 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C)C2)c1 9716638 SOFABPCHYLDTEM-AWEZNQCLSA-N 433.486 3.276 5 40 IGBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 17727626 XNZVMLWRHKTYTQ-GXTWGEPZSA-N 440.387 3.441 5 40 IGBB O=C1N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 8828341 LZKKIFRJBZMUPV-HZPDHXFCSA-N 441.387 3.226 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc2c(c1)OCCO2 9635478 DTJLOHYCSTWFNR-UHFFFAOYSA-N 426.425 3.396 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 9908009 BYLPXZULEJTVPM-UHFFFAOYSA-N 426.473 3.084 5 40 IGBB CCn1c(C)cc(O)c(C(c2ccccc2[N+](=O)[O-])c2c(O)cc(C)n(CC)c2=O)c1=O 10217752 SIQOPSRALDOCMY-UHFFFAOYSA-N 439.468 3.166 5 40 IGBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(CCN1CCOCC1)c1ccccc1 84077428 RKQPTELCZRYOHN-UHFFFAOYSA-N 439.921 3.084 5 40 IGBB O=C1[C@@H]2[C@H]3C[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1 100204483 ZPMSFDKNUSZIOB-GFJCLWMYSA-N 437.839 3.423 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1ccc3c(c1)OCO3)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409367779 GFDVCQPUIJLBRA-YCIYHOANSA-N 440.411 3.200 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2131981 VNEOKMJJYQFIEY-UHFFFAOYSA-N 448.457 3.320 5 40 IGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2236907 MRUQHFANZQYUEW-UHFFFAOYSA-N 443.463 3.026 5 40 IGBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11247721 HKRYFJKTMNMEFQ-UHFFFAOYSA-N 449.532 3.352 5 40 IGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1cccc(Cl)c1 12565107 FOPARWXVNLJARA-CQSZACIVSA-N 438.937 3.357 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccc([N+](=O)[O-])cc1 18967253 JGWCFZZNQKVVTR-HSZRJFAPSA-N 437.452 3.273 5 40 IGBB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@H](c1ccc([N+](=O)[O-])cc1)NN2Cc1ccccc1 19171778 BQUOUFFAFFJOTE-FSSWDIPSSA-N 428.448 3.215 5 40 IGBB O=C(CF)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)C(Cl)(Cl)Cl 25808972 SOMSHZVNIDWWOJ-VIFPVBQESA-N 438.095 3.317 5 40 IGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408687771 VBKTWRGSWIEQHA-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1 409310490 VGAJLAIXJOLTBE-YWEYNIOJSA-N 440.368 3.462 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714643 XJOJPTSEAHZPKE-INIZCTEOSA-N 441.893 3.440 5 40 IGBB O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1 22852826 BBKDVFGXZNDPPO-UHFFFAOYSA-N 435.480 3.445 5 40 IGBB O=c1[nH]c(O)nc(/C=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)c1[N+](=O)[O-] 33741177 QSYGYZKZGIHDFW-XVNBXDOJSA-N 428.332 3.180 5 40 IGBB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C(/Sc2nc3ccccc3[nH]2)C(=O)O)CC1 408634783 UMZLQHOVUCWPNS-CPNJWEJPSA-N 439.497 3.441 5 40 IGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409112505 DKSZICKMBMKADC-VZUCSPMQSA-N 445.247 3.051 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 13109418 AQTOUKOAWXACBZ-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535425 ARRISMLLDPCKRT-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C 9698969 FLTRRAWLXOYBEP-UHFFFAOYSA-N 439.497 3.496 5 40 IGBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 17421536 YZWWWWJLZBAYMQ-PVRNWPCDSA-N 438.440 3.242 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1Cl 408647440 SXEQVINASRVTSV-AWEZNQCLSA-N 445.859 3.400 5 40 IGBB Cc1cccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1 409224740 IWGLBSONQZBAAR-VIZOYTHASA-N 432.230 3.464 5 40 IGBB COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 2786047 BKEJERDXTIPXIH-FPOVZHCZSA-N 447.451 3.018 5 40 IGBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 8445309 LVGLADRVUHWVQN-MRXNPFEDSA-N 446.769 3.026 5 40 IGBB O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 8882047 XSTKIUNSQHKQQW-UHFFFAOYSA-N 432.845 3.115 5 40 IGBB O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccc([N+](=O)[O-])cc1 33575567 RWFLZAHHBYLFBP-UHFFFAOYSA-N 432.483 3.241 5 40 IGBB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224735946 UOASQWQUSJGIND-KRWDZBQOSA-N 443.500 3.234 5 40 IGBB O=C(O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757176 VTBVBAQADSKQPK-UHFFFAOYSA-N 449.666 3.291 5 40 IGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225383959 KVOAQLCQGSGAKR-DLBZAZTESA-N 427.501 3.478 5 40 IGBB CCOc1ccc(Br)cc1[C@@H]1CN(C)[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408568862 VAMHJCBFYKFJKR-QMIHWGKISA-N 446.301 3.370 5 40 IGBB COCc1cc(C)nc2sc3c(=O)n(CCO)c(-c4ccc([N+](=O)[O-])cc4)nc3c12 12445634 QPLCCTAWGZRQKE-UHFFFAOYSA-N 426.454 3.029 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Cl)cc(Br)c1OC(F)F 12927780 RVVAJOGBBWYOMH-UHFFFAOYSA-N 425.573 3.447 5 40 IGBB CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)c(OC)c1 13577092 UKYQSEMXUUTYRD-UHFFFAOYSA-N 433.508 3.461 5 40 IGBB Cc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1S(N)(=O)=O 26902576 CHFUEOTUDKJTMT-UHFFFAOYSA-N 449.432 3.300 5 40 IGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225350607 SBUTVKHMULZPHI-IRXDYDNUSA-N 427.501 3.478 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=NN12 229621337 NGRVVTWGWQTRJM-YRPNKDGESA-N 446.463 3.089 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504057 CEPYYHRYDKRLBW-UZLBHIALSA-N 433.530 3.277 5 40 IGBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc([N+](=O)[O-])c1O 37342271 DBAOPGDKQJDBMT-OVCLIPMQSA-N 431.382 3.454 5 40 IGBB CC[C@H](C(=O)NCCSC1CCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224690191 DPLCEDAHLHIILK-QGZVFWFLSA-N 443.591 3.240 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(OCC)c3)CC2)c([N+](=O)[O-])c1 408571772 FSGAUZXFSDUUIZ-UHFFFAOYSA-N 427.457 3.133 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408659033 VKSIEMSBNDMKLD-QFIXIFRTSA-N 447.447 3.032 5 40 IGBB Cc1c(C(=O)N(C)C)sc2ncn3nc([C@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 2792106 ZZLFEXLZQWPOTQ-NSHDSACASA-N 426.458 3.397 5 40 IGBB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 3596258 XBVSNRIBRYQPCW-FQEVSTJZSA-N 430.848 3.434 5 40 IGBB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 16483507 HNJSJCSBLHSXIO-OAQYLSRUSA-N 432.484 3.195 5 40 IGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20410820 NEHUQSCVQWPCKU-UHFFFAOYSA-N 441.444 3.192 5 40 IGBB COC(=O)Cn1/c(=N/C(=O)c2nc3ccccc3s2)sc2cc([N+](=O)[O-])ccc21 100876521 SIPIGYVOMNCFOM-ZZEZOPTASA-N 428.451 3.135 5 40 IGBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223188868 ACCHXPZESASFQK-KRWDZBQOSA-N 449.891 3.189 5 40 IGBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)ccc1[N+](=O)[O-] 20528553 FQPLGCOCXJHMND-UHFFFAOYSA-N 436.390 3.366 5 40 IGBB CCOC(=O)C1=C(CN(C)[C@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1ccco1 24863527 FKANSJXSQHVHSN-BFUOFWGJSA-N 428.445 3.052 5 40 IGBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC[C@@H]3CC(N)=O)c([N+](=O)[O-])c2)c(C)c1 89614179 PLQHRZIVONFFIZ-MRXNPFEDSA-N 446.529 3.247 5 40 IGBB CCOC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 96997399 QVXJUJYTTPWJCR-LJQANCHMSA-N 431.876 3.310 5 40 IGBB COc1cc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc(OC)c1 100863269 RMPGZGWQIXKLNC-RKOMNEFPSA-N 427.461 3.138 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSC1CCCCC1)S(C)(=O)=O 220387346 NRBLTLOMNQXPOP-OAHLLOKOSA-N 443.591 3.240 5 40 IGBB CC[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521442 VQUZWKGZMWRYNE-SFHVURJKSA-N 443.591 3.322 5 40 IGBB CCc1ccc(CC)c(CNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 224073398 SPFVCAQBKGMPTH-UHFFFAOYSA-N 433.530 3.110 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408638036 BOAYXABZWZICDI-NSHDSACASA-N 434.246 3.358 5 40 IGBB COc1ccc(C(=O)[C@H](c2ccc(OC)cc2)[C@@]2(O)C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 5722360 DQILQAFCZDCXKQ-XUZZJYLKSA-N 448.431 3.418 5 40 IGBB CC(C)COC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 9331624 FSIMUIITLVUBGL-GJPOJAMWSA-N 449.500 3.033 5 40 IGBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17095346 AHPGLPHKRXMEAJ-UHFFFAOYSA-N 427.398 3.394 5 40 IGBB COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cc1[N+](=O)[O-] 59328810 RTRAKUWHDQTGAJ-AWEZNQCLSA-N 433.486 3.276 5 40 IGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1nc2ccccc2s1 3396204 IFNZNFOYKKUHKG-UHFFFAOYSA-N 428.455 3.236 5 40 IGBB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 9974806 QUHUFSNKCSSYBO-MRXNPFEDSA-N 447.513 3.260 5 40 IGBB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12517082 PPCBOMRYOMINHE-UHFFFAOYSA-N 438.528 3.347 5 40 IGBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 15277460 IXMDFLZMCWGCKI-LJQANCHMSA-N 433.380 3.415 5 40 IGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br 16347687 UZZVEUVFWVWAQU-UHFFFAOYSA-N 438.259 3.491 5 40 IGBB O=C(CC1CCCC1)N1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 29333171 JCHAIDCPDFZPOR-UHFFFAOYSA-N 431.536 3.406 5 40 IGBB COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 3102027 MWPLFTBQANKSQE-FQEVSTJZSA-N 425.441 3.325 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 3332200 OIKUIAOLPHETBT-UHFFFAOYSA-N 445.387 3.191 5 40 IGBB COc1cc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)c(C)cc1[N+](=O)[O-] 9492057 RJPDAKGNQVVPGV-UHFFFAOYSA-N 432.502 3.143 5 40 IGBB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 13059311 YVYOUJRIQJLWCE-UHFFFAOYSA-N 430.457 3.216 5 40 IGBB CCCn1c(=N)c(C(=O)Nc2ccc(OCC)cc2)cc2c(=O)n3cccc(C)c3nc21 100894325 CFXVUQTVUBRCIM-UHFFFAOYSA-N 431.496 3.498 5 40 IGBB CCOc1ccc(S(=O)(=O)N2c3cccc4cccc(c34)S2(=O)=O)c([N+](=O)[O-])c1 851077 RMXRQHLNPWPGAB-UHFFFAOYSA-N 434.451 3.044 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2ccc(Br)cc12 9956631 ORFMOERPPXUDPA-UHFFFAOYSA-N 433.218 3.327 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)c2ccncc12 12557624 KEKKUWQKBKPNQG-UHFFFAOYSA-N 432.889 3.307 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269928 MGRYJSHPJOXEJC-UHFFFAOYSA-N 445.457 3.239 5 40 IGBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@H]1COc2ccccc2O1 21179877 BZRJUJXMZXVZSH-QGZVFWFLSA-N 442.453 3.395 5 40 IGBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(S(C)(=O)=O)cc1 22140774 BNYCRZJDHTXXRV-MRXNPFEDSA-N 434.517 3.436 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O 22374754 IEXLDNAONSLFDZ-UHFFFAOYSA-N 439.921 3.072 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccs1 101176491 YXVDSSWPQNHXCC-CLCOLTQESA-N 436.493 3.209 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C 409390668 KYTOLHLVUUDUNZ-UHFFFAOYSA-N 433.486 3.014 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccccc1SC 3491672 OEWOXKYFYPDJED-CYBMUJFWSA-N 432.502 3.223 5 40 IGBB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 22998188 WIAPZRVVLZANJN-UHFFFAOYSA-N 426.498 3.492 5 40 IGBB COc1ccc(NC(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1 32935991 ZAIFNNKRWWETKG-UHFFFAOYSA-N 438.444 3.003 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 408661054 OBWSWXARPQNJQJ-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB CC(C)(C)C(=O)Nc1ccc(C(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)cc1 95971864 FBLAZQMEPOWRNK-UHFFFAOYSA-N 436.262 3.387 5 40 IGBB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536977 ODDGQXOPJPRQMR-MRXNPFEDSA-N 427.429 3.365 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 13083798 HVVRZAZPDWSAIJ-CQSZACIVSA-N 432.433 3.352 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20611807 YZTWEURVZLTYJV-UHFFFAOYSA-N 441.444 3.192 5 40 IGBB Cc1cccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C 22028667 WLAJDMGWVCIMJO-HOTGVXAUSA-N 425.441 3.135 5 40 IGBB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 408594629 ULMTXKKLFXMNBH-QDEBKDIKSA-N 426.168 3.139 5 40 IGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)nn1 9627038 BYPDMIIRCRZWJE-UHFFFAOYSA-N 426.454 3.406 5 40 IGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 13138453 ARVFOBBBEXIKTR-HNNXBMFYSA-N 426.853 3.217 5 40 IGBB CC1CCN(c2ccc(C(=O)NCCc3nnc4n3CCCCC4)cc2[N+](=O)[O-])CC1 14370576 GIQWNFOXFKCHRN-UHFFFAOYSA-N 426.521 3.122 5 40 IGBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12524572 RIYGULFQJBIZLO-HXUWFJFHSA-N 444.557 3.450 5 40 IGBB COC(=O)c1ccccc1NC(=O)Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1 20220927 UESGYGQUZFBUFR-UHFFFAOYSA-N 446.423 3.069 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 408571458 BUDNJYAMMBODID-UHFFFAOYSA-N 441.484 3.116 5 40 IGBB Cc1ccc(SCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9508565 GMRXOPNLMLEXOW-UHFFFAOYSA-N 438.527 3.095 5 40 IGBB COCCNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12784014 SFZLRHTXQOLUBY-GOSISDBHSA-N 427.457 3.402 5 40 IGBB CS(=O)(=O)c1ccc(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 15117225 XWJLKSDMVPOQTR-UHFFFAOYSA-N 444.435 3.129 5 40 IGBB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1[N+](=O)[O-] 20611554 IAQJQADXLCETAE-UHFFFAOYSA-N 436.262 3.455 5 40 IGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408659036 VKSIEMSBNDMKLD-VMRPVKRXSA-N 447.447 3.032 5 40 IGBB CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cc(Br)ccc1C 778006 CZMZPIMISLXMRY-UHFFFAOYSA-N 432.230 3.272 5 40 IGBB CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O 3173704 JXOYQNYNMDKAMU-CHHVJCJISA-N 444.783 3.443 5 40 IGBB CCN(C(=O)COC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1cccc2ccccc12 3286393 ABARYFKCFCFUSD-UHFFFAOYSA-N 449.463 3.383 5 40 IGBB O=C(O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)c1 4113438 ZRTRZZICHLQHEJ-UHFFFAOYSA-N 431.360 3.346 5 40 IGBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2-c2ccc([N+](=O)[O-])cc2)c1 6146743 FTJCEMDTXLKLPT-UHFFFAOYSA-N 433.515 3.162 5 40 IGBB COCCNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12784017 SFZLRHTXQOLUBY-SFHVURJKSA-N 427.457 3.402 5 40 IGBB CCCCOC(=O)c1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)c1 41077924 CLJAZDKHYVEFEZ-UHFFFAOYSA-N 434.408 3.044 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 100555668 LMPLCZLZKDYKHQ-SNHGZMDHSA-N 448.431 3.170 5 40 IGBB CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 408661094 DENFQDHEJBIGGY-UHFFFAOYSA-N 427.413 3.006 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2ccc(Br)cc12 16046030 NATKUGAZASMHAQ-UHFFFAOYSA-N 433.218 3.327 5 40 IGBB CCOC(=O)N1CCN(C(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)CC1 17297145 VTPODKUMRWRIHS-UHFFFAOYSA-N 443.485 3.194 5 40 IGBB COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 408552660 MSXBVIHONULVOR-UHFFFAOYSA-N 447.513 3.260 5 40 IGBB C[C@H](O)Cn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nc2ccccc2c1=O 9388788 PSMLPIHDXRIRDT-NSHDSACASA-N 448.888 3.070 5 40 IGBB COc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1[N+](=O)[O-] 12991709 MHECWPLRXHJHGN-HXUWFJFHSA-N 436.486 3.440 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 13145319 CGEYXIBPOXVLLP-CQSZACIVSA-N 433.486 3.419 5 40 IGBB O=C(NCc1ccco1)c1cc2c(=O)n3ccccc3nc2nc1NCCc1ccccc1 13519027 YVFALNDNXHJJJE-UHFFFAOYSA-N 439.475 3.420 5 40 IGBB CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 408605401 KBIXCPVOSHJIKL-UHFFFAOYSA-N 433.486 3.033 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408641266 CEWDVMPBYXWIHY-UXHICEINSA-N 447.447 3.176 5 40 IGBB CNc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 8817724 HYVDDGDYWWVMDH-UHFFFAOYSA-N 426.498 3.301 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 10327326 TZAKATFNAHBWOD-LBPRGKRZSA-N 441.893 3.358 5 40 IGBB COc1cc(CCNC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])cc1OC 32862552 WQGAIMCAGFYKTR-HNNXBMFYSA-N 439.472 3.401 5 40 IGBB COCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(OC)c(OC)cc12 2252104 JCYSWSWROZLKTF-UHFFFAOYSA-N 448.435 3.110 5 40 IGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCCCNc3ccncc3)c([N+](=O)[O-])c2)C1 72278771 IHMFHXHUEYOFLM-INIZCTEOSA-N 433.534 3.325 5 40 IGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1)Nc1cccc(F)c1 78878669 QMRIZRVZGGWIHC-UHFFFAOYSA-N 437.269 3.257 5 40 IGBB COC(=O)c1cc(C(=O)N2CCC(Nc3cc(OC)cc(OC)c3)CC2)cc([N+](=O)[O-])c1 79046356 VXDXLVQXWGUEDO-UHFFFAOYSA-N 443.456 3.115 5 40 IGBB CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408668499 UDGNHQVNNZWTBT-UHFFFAOYSA-N 427.413 3.088 5 40 IGBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3497191 AMRDVLLNYWENRR-UHFFFAOYSA-N 434.865 3.353 5 40 IGBB CCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 6143825 JYHDJDSTVYNKHN-UHFFFAOYSA-N 445.479 3.424 5 40 IGBB COc1ccccc1[C@H]1SCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8833872 OPRVGGXZPDVPBX-QGZVFWFLSA-N 439.471 3.256 5 40 IGBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(F)c(F)c1 9518209 AUDGCXCAFSOXOB-UHFFFAOYSA-N 433.396 3.083 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 58305051 OOIUVNOZHJFVLB-CYBMUJFWSA-N 429.351 3.184 5 40 IGBB C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O 97032898 ZGKWRZXILZGFOV-XIKOKIGWSA-N 434.855 3.500 5 40 IGBB CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408638342 BXAXWROTPZAJKU-MRXNPFEDSA-N 425.441 3.399 5 40 IGBB O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl 3270189 RXINGFPCTIHCQI-UHFFFAOYSA-N 433.726 3.223 5 40 IGBB COc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)c([N+](=O)[O-])c1 9956636 VGOOKOBJGNCQHA-UHFFFAOYSA-N 433.218 3.327 5 40 IGBB COc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)ccc1=O 10132061 OJUYECBQHMJRII-UHFFFAOYSA-N 448.357 3.485 5 40 IGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3cccc4cccnc34)CC2)c1C 14167554 NTNDHZUEMAMALG-UHFFFAOYSA-N 440.525 3.266 5 40 IGBB CS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)nn1 15880785 NEYQDTQCBVUGDZ-UHFFFAOYSA-N 432.845 3.361 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21)Nc1cccc([N+](=O)[O-])c1 23411683 APVFFQONCZVKSM-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB CC(=O)Nc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409365500 ZTZGUQHKFSZADJ-ZDLGFXPLSA-N 425.422 3.472 5 40 IGBB COc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10336454 STQPJOUYBIPEAQ-UHFFFAOYSA-N 428.470 3.071 5 40 IGBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(F)(F)F)CC3)cc2)cccc1[N+](=O)[O-] 21124256 KCCUDDYJXMLCFA-UHFFFAOYSA-N 436.390 3.366 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 89929773 HHLCRSRHISIMRX-AWEZNQCLSA-N 433.486 3.419 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCCc2ccccc21)S(C)(=O)=O 222376922 INIJRPXDTPZTCS-UHFFFAOYSA-N 431.514 3.429 5 40 IGBB O=C(O)/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2c(cc1Br)OCO2 1668093 QOSHXRLIRSUBGX-BCTAIJSYSA-N 436.170 3.440 5 40 IGBB O=C1N/C(=C\c2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 13945545 PFHYPNHTXBNKRQ-DHDCSXOGSA-N 449.204 3.292 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40134231 OGSCGABYOYZYGU-SNVBAGLBSA-N 427.795 3.495 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225493155 ARPIVQZVBVXWDW-QGZVFWFLSA-N 443.500 3.233 5 40 IGBB COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 4130715 RSYXAVWGPLQNAR-UHFFFAOYSA-N 434.426 3.253 5 40 IGBB COc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 9414467 HUEOTUWKGBVNFW-DHZHZOJOSA-N 445.497 3.430 5 40 IGBB CCCNS(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1N1CCCC1 10009905 QOCBFBHQOSKZLR-UHFFFAOYSA-N 432.502 3.136 5 40 IGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 13987435 YZWWWWJLZBAYMQ-FNCQTZNRSA-N 438.440 3.242 5 40 IGBB CCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Br 17103043 KTVJVUNEZDLFRJ-UHFFFAOYSA-N 439.291 3.387 5 40 IGBB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 23154945 IXQAGSAANIGYKR-JOCHJYFZSA-N 442.491 3.137 5 40 IGBB CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccccc1[N+](=O)[O-] 28173550 QTFFOKYLSYUOEB-HSZRJFAPSA-N 437.452 3.273 5 40 IGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)C(CC)CC 103628289 MRMWIECVQJBTQI-QLYXXIJNSA-N 438.528 3.345 5 40 IGBB Cc1c(N(CC(=O)NCCCc2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220033088 ICEKEXIWRWKKPJ-UHFFFAOYSA-N 439.921 3.072 5 40 IGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224970568 HEJBBMVYTDMYSQ-UHFFFAOYSA-N 449.268 3.279 5 40 IGBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 13659489 WBDAZJPYKCQBNH-QHAWAJNXSA-N 431.404 3.352 5 40 IGBB Cc1nc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c(=O)n1-c1ccccc1 23143941 WNKLGOWKHXLFTC-UHFFFAOYSA-N 436.449 3.403 5 40 IGBB C[C@@H](c1ccccc1)N(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57574371 HHRDNWDMHRBPSU-SFHVURJKSA-N 433.512 3.485 5 40 IGBB Cc1cnn([C@@H]2CCCN(C(=O)c3cc(I)cc([N+](=O)[O-])c3)C2)c1 95451737 XMBQDRGTGKUKQJ-CQSZACIVSA-N 440.241 3.182 5 40 IGBB COc1ccc(OC)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)c1 408533780 SCVOVBBFWHUYJT-UHFFFAOYSA-N 426.341 3.196 5 40 IGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1Cl 408645586 MDCXIQZBUSNUJQ-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 9288337 JLGKCUDUHLCPBD-UHFFFAOYSA-N 439.515 3.007 5 40 IGBB CC(C)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 16042195 MHXRDIPADVDYNS-NFBKMPQASA-N 432.480 3.417 5 40 IGBB biogenic CCOC(=O)[C@@]1(C)C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 100067432 VYLNKUVDNLJPIR-HXUWFJFHSA-N 426.385 3.167 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 408573875 PLJILJWDEXZAJY-UHFFFAOYSA-N 447.875 3.153 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1cccs1 408653463 PWFSJZQRNUVKKR-HOTGVXAUSA-N 441.465 3.072 5 40 IGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)Nc1cc(Cl)cc(Cl)c1 8826470 MGADBRZWPXDDHB-JTQLQIEISA-N 442.255 3.490 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 9069279 SVQXZHLYWFJECZ-MRXNPFEDSA-N 439.877 3.049 5 40 IGBB C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2[N+](=O)[O-])C1 9491181 VNAAQOSEXKXELT-HNNXBMFYSA-N 446.529 3.334 5 40 IGBB O=C(COc1ccc(Br)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F 12498783 GNNRSVNIPPFCFC-UHFFFAOYSA-N 428.239 3.388 5 40 IGBB COc1cc([C@H]2CC(=O)N=C3NC=NN32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 38261876 ZOFVZKSRUXTOEA-OAHLLOKOSA-N 429.820 3.012 5 40 IGBB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 23177616 DQOWIOMKLQXSBE-NHCUHLMSSA-N 443.525 3.332 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCCCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 222365815 NQXZMBIBEPCDBE-UHFFFAOYSA-N 437.493 3.029 5 40 IGBB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCCO2 8878336 ROJTYGZQYUVOCP-JOCHJYFZSA-N 441.484 3.390 5 40 IGBB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1Cl 9581202 GEEKLQMSPBFCDN-UHFFFAOYSA-N 427.244 3.467 5 40 IGBB CCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCOCC2)cc1OC 12780542 RIUFONBQSOCDMW-LJQANCHMSA-N 443.500 3.114 5 40 IGBB O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20106824 YRVUDMHNSXGSJW-UHFFFAOYSA-N 425.466 3.467 5 40 IGBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C)cc3C)CC2)c([N+](=O)[O-])c1 408572576 KKNYINCJGMFMHK-UHFFFAOYSA-N 441.484 3.116 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408685977 QSZKDYVWPOFLOS-UHFFFAOYSA-N 446.375 3.357 5 40 IGBB CC(C)c1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 8917332 ORYBOOCQJVQWDK-FQEVSTJZSA-N 446.525 3.313 5 40 IGBB Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1 9429273 MKCXUVDFACBFDR-HYBUGGRVSA-N 448.479 3.478 5 40 IGBB CNS(=O)(=O)c1ccc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)c([N+](=O)[O-])c1 9462662 OQTKMBLBBYJVEA-UHFFFAOYSA-N 447.513 3.198 5 40 IGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100561459 UGUODNHFYXCPLW-QINHECLXSA-N 429.498 3.095 5 40 IGBB COc1ccc(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1OC 20759982 UFHIKSGVHRLHLV-UHFFFAOYSA-N 430.442 3.317 5 40 IGBB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 21216879 LKOFNYYULBFCTD-UHFFFAOYSA-N 431.401 3.493 5 40 IGBB COCCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cc([N+](=O)[O-])ccc21 100872699 YQISFHUCINSVMY-MRCUWXFGSA-N 425.422 3.105 5 40 IGBB C[C@H](C(=O)Nc1ccccc1Br)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220402543 DAHBKEMWIPBUDT-LLVKDONJSA-N 442.291 3.151 5 40 IGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Br)cc1 224735944 QBFNTDMTVRHPHL-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1 408636991 FBKVZWJKVPBLKA-CYBMUJFWSA-N 447.241 3.136 5 40 IGBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCC1=O 408656957 SZLWYEBBULCHEB-GFCCVEGCSA-N 429.816 3.026 5 40 IGBB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 8825130 AQMVISBDCWILGP-CSNVJCEJSA-N 435.498 3.329 5 40 IGBB CCCOC(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 10059859 LSUOLFVUUXKMLQ-UHFFFAOYSA-N 443.456 3.259 5 40 IGBB Cc1nnc2sc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 19629575 UHYSSELSGUISGA-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB CN(C(=O)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 29118947 IXTDYJXFZOGUEY-UHFFFAOYSA-N 437.422 3.184 5 40 IGBB CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220673248 VPWCZRUERNXYKA-GOSISDBHSA-N 435.502 3.485 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525350 CEPYYHRYDKRLBW-JXFKEZNVSA-N 433.530 3.277 5 40 IGBB C[C@@H]1CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408650641 MMQOPFPOPWMMIT-CDHQVMDDSA-N 449.463 3.256 5 40 IGBB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790376 DKDXLSKUAGNUGN-UHFFFAOYSA-N 436.486 3.449 5 40 IGBB CN(C)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9580028 YNAPCKAWXINGJH-UHFFFAOYSA-N 426.473 3.447 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCCc3ccccc32)CC1 12976411 MFXCANRAAPCAHS-UHFFFAOYSA-N 443.525 3.283 5 40 IGBB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 16043634 YYWUOLOHZNUJHD-UHFFFAOYSA-N 433.306 3.114 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(I)cn2)cc1[N+](=O)[O-] 16347843 OUNVSYNKJPDQMN-UHFFFAOYSA-N 442.238 3.030 5 40 IGBB CS/C(=C\[N+](=O)[O-])N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 100379703 LZKAWURJIUGICL-WQLSENKSSA-N 437.356 3.082 5 40 IGBB CCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176515 CVOZGUIJFYKKMR-QYQHSDTDSA-N 444.491 3.367 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1Cl 138690445 IQYOFYBIMSHRJO-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCc4c3cccc4[N+](=O)[O-])C2)cc1 513840759 HLAANCRQRGRZJG-QGZVFWFLSA-N 443.525 3.283 5 40 IGBB O=C(NCCc1nc2ccccc2[nH]1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 10356671 OHNKHUAZERJOFO-UHFFFAOYSA-N 428.880 3.199 5 40 IGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1ccc(Br)cc1 12522942 READJJRPSGXDIM-NSHDSACASA-N 437.246 3.190 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 13624262 KLVCZFCNRQZKKU-MEKIYTOJSA-N 428.448 3.366 5 40 IGBB CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 29303947 KBYLVZABKJUCEC-INIZCTEOSA-N 430.486 3.139 5 40 IGBB COc1ccc(N2C[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c(OC)c1 32842227 SFXGVIMGPXFFCH-CQSZACIVSA-N 447.875 3.277 5 40 IGBB C[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260924472 HYLUACICFCGVAD-CABCVRRESA-N 431.514 3.115 5 40 IGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2375015 CZLIUEQHJOZUKZ-UHFFFAOYSA-N 429.480 3.306 5 40 IGBB Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCCC[C@@H]43)C2=O)c1 9429275 MKCXUVDFACBFDR-YKSBVNFPSA-N 448.479 3.478 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C 9499523 CHDUWEKDXAPJPO-ZDUSSCGKSA-N 427.486 3.442 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1 12933392 IRSUQHFWWJGYOT-UHFFFAOYSA-N 427.364 3.376 5 40 IGBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100924074 ZUAJBEDDPHTVIW-UHFFFAOYSA-N 449.514 3.149 5 40 IGBB COc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220407572 WBBOSWOTMIZQEB-NSHDSACASA-N 427.866 3.050 5 40 IGBB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223281060 HJMVKELVDYCUJI-LEWJYISDSA-N 436.541 3.315 5 40 IGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223769330 PBJWKLDYLQKHSA-KSSFIOAISA-N 435.502 3.025 5 40 IGBB COC(=O)CN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224752451 FDANODVVJAJYOG-UHFFFAOYSA-N 443.275 3.034 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)c1 408660591 BBGUTKLKLATBRS-UHFFFAOYSA-N 435.820 3.157 5 40 IGBB COc1cc(OCC(=O)Nc2cccc(I)c2)ccc1[N+](=O)[O-] 22259445 JLANYZOWGZWERD-UHFFFAOYSA-N 428.182 3.226 5 40 IGBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)cc2)C(=O)N1c1cccc([N+](=O)[O-])c1 102707719 WBDAZJPYKCQBNH-PCCBWWKXSA-N 431.404 3.352 5 40 IGBB CC[C@H](C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 103459244 SYYZSHSUUWGNRU-DQIAKDEWSA-N 445.475 3.461 5 40 IGBB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409213700 UZQYHHYPXKRFGS-BOPFTXTBSA-N 445.453 3.044 5 40 IGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 12374749 PTIMOKGNLWLOKU-UHFFFAOYSA-N 438.375 3.198 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccccc1CN1CCOCC1 12536797 RTHHYEBNPRMZHX-UHFFFAOYSA-N 441.531 3.303 5 40 IGBB O=C(Nc1nc2ccccc2s1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12858903 IXBFINXAFZLSJW-INIZCTEOSA-N 446.510 3.386 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 13847532 KKXRXIHVJHMWIE-UHFFFAOYSA-N 441.893 3.442 5 40 IGBB C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(Cc4ccccc4)C3=O)[C@@H]2C1 16995333 KFFPHOXYTVQCGS-CCQPRUGESA-N 448.479 3.021 5 40 IGBB COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 22998423 YTBPCUHUWRXVOA-UHFFFAOYSA-N 442.497 3.192 5 40 IGBB O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 38550758 ZMENMXDSBGEJJA-UHFFFAOYSA-N 427.442 3.287 5 40 IGBB O=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1 58018738 KSNHFRUGZBCMHG-UHFFFAOYSA-N 433.273 3.002 5 40 IGBB Cc1cc(C2=CCN(C(=O)[C@H]3CN(Cc4ccccc4)CCO3)CC2)cc([N+](=O)[O-])c1N 78966587 OJCBKCVREAEZSO-JOCHJYFZSA-N 436.512 3.002 5 40 IGBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1 89626390 JJHXULPVKBGVPB-UHFFFAOYSA-N 448.892 3.172 5 40 IGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 220195956 PBFRDGNVJLDCEE-LLVKDONJSA-N 431.392 3.407 5 40 IGBB C[C@H](NC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 9053809 IXCXKTJQLRBPDE-JKSUJKDBSA-N 447.513 3.024 5 40 IGBB O=C(CSc1nnc2nc(O)c(-c3ccc(Cl)cc3)nn12)c1ccc([N+](=O)[O-])cc1 9808640 VHXIVAOPSVCVGU-UHFFFAOYSA-N 442.844 3.429 5 40 IGBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCCOc1c(Cl)cccc1Cl 24224509 QMMWWFAIAITWOI-UHFFFAOYSA-N 427.196 3.432 5 40 IGBB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14707525 YWHVMCTWKMSPAN-UHFFFAOYSA-N 446.891 3.174 5 40 IGBB CC(C)COC(=O)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)OCC(C)C)C(=O)C[C@]1(C)O 33920127 YAOJLVKSVMJFBW-GJPOJAMWSA-N 449.500 3.033 5 40 IGBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 100555670 LMPLCZLZKDYKHQ-LRGYGIHKSA-N 448.431 3.170 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)CC1=O 408650694 MRHBMEJLTLYAHF-TZMCWYRMSA-N 446.843 3.424 5 40 IGBB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22348225 RWKCWQADDIPJEN-SFHVURJKSA-N 447.513 3.088 5 40 IGBB COc1cc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)c([N+](=O)[O-])cc1OC 96892230 AGLNTABJEFYWBA-MHWRWJLKSA-N 437.408 3.083 5 40 IGBB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1ccccc1[N+](=O)[O-] 100433754 FFTZODLAHOORCU-QZTJIDSGSA-N 429.521 3.161 5 40 IGBB COCCn1/c(=N/C(=O)c2coc3ccccc3c2=O)sc2cc([N+](=O)[O-])ccc21 100872701 LKUUMGGQCXKFQS-MRCUWXFGSA-N 425.422 3.105 5 40 IGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](n2cncn2)C1 614439239 IIYQMWSKQMYMQU-OAQYLSRUSA-N 443.467 3.055 5 40 IGBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccccc12 35808504 SVKPQABTYLBYBG-XVWGUNQUSA-N 428.448 3.366 5 40 IGBB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224781949 WOZIAJZZVNECPV-UHFFFAOYSA-N 430.841 3.454 5 40 IGBB O=C(O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409143125 NGANQUQOBBWAKK-VIZOYTHASA-N 445.365 3.416 5 40 IGBB COc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2653101 NQAGXCDHZIUAPH-UHFFFAOYSA-N 433.467 3.074 5 40 IGBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C(c1ccccc1)=NN=2 13750708 OYXBIPVIGMLNOH-GFCAVMEOSA-N 440.484 3.274 5 40 IGBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 21308702 QCMSZJBRQCNXKH-INIZCTEOSA-N 439.346 3.289 5 40 IGBB Cc1n[nH]c(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)n1 40398741 KCVNJGZOIFGVIF-UHFFFAOYSA-N 439.262 3.423 5 40 IGBB COc1c2c(cc3oc4c([C@H](O)CC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@H]21 225420356 PWDXABLHFDFFEB-WBLQJCTDSA-N 426.421 3.201 5 40 IGBB biogenic,in-vitro CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998600 MPCWLEYKACOSCZ-LJQANCHMSA-N 439.424 3.159 5 40 IGBB COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409128244 SAMZNWGCSNOVOE-MHWRWJLKSA-N 431.426 3.473 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409132205 NMIQIHGRHSWYED-RQZCQDPDSA-N 444.421 3.303 5 40 IGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)NC(C)C 10009058 YLHMDSFQIDXVJT-UHFFFAOYSA-N 427.866 3.196 5 40 IGBB C[C@@H]1Oc2ccc(NC(=O)[C@@H]3Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]34)cc2NC1=O 23129904 PUVFPCQBSMPODY-ZLXGRDSLSA-N 436.468 3.484 5 40 IGBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccco3)cc3c(=O)n4ccccc4nc32)cc1 100631377 MWQOUSHKYPZGHQ-UHFFFAOYSA-N 439.475 3.008 5 40 IGBB aggregator CCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1c3ccccc3C=C[C@H]21 102798821 IHGXQWDGNSOYBF-YUMYIRISSA-N 445.475 3.463 5 40 IGBB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223280944 HJMVKELVDYCUJI-SFTDATJTSA-N 436.541 3.315 5 40 IGBB COc1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCC2)cc1 29939855 BZGCSGLLRRMGLP-SFHVURJKSA-N 439.921 3.372 5 40 IGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(Br)c1 32945551 OHQBVHJDNYMOHK-UHFFFAOYSA-N 449.257 3.234 5 40 IGBB CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1 40398893 PPQLYWLHUJPZBT-UHFFFAOYSA-N 436.884 3.183 5 40 IGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N(CCO)Cc3ccccc3)c([N+](=O)[O-])c2)C1 72272756 MSZYVMVPJWXXSJ-QGZVFWFLSA-N 433.530 3.014 5 40 IGBB CCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113892821 PAGGNRWDDTZSNK-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB Cc1c(Cl)cccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408666204 GTIYHVFGVIZWKS-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)C2=O)c1 409234364 VXGOWPYGNPCVCF-VGOFMYFVSA-N 432.230 3.464 5 40 IGBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl 9364303 QELIFPSKOLQNNX-CYBMUJFWSA-N 426.878 3.409 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1Cl 138690311 IQYOFYBIMSHRJO-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB CCc1ccc(CC)c(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 225025783 XTPCVWVXCZKRBD-MRXNPFEDSA-N 447.557 3.499 5 40 IGBB COC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 8400787 ANDHTZGHLOGJHW-DHDCSXOGSA-N 445.409 3.000 5 40 IGBB CC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 13012126 HMLUTVGNNFHJRL-ZDUSSCGKSA-N 442.515 3.126 5 40 IGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17096400 YOIQDLSBXDJNML-UHFFFAOYSA-N 429.414 3.202 5 40 IGBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 17989034 NJITUHXOJOAPTQ-IAGOWNOFSA-N 434.404 3.090 5 40 IGBB CC[C@@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35291377 NWWOKFIDQAQIBY-FQEVSTJZSA-N 425.468 3.042 5 40 IGBB Cc1ccccc1[C@@H](C)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57524776 XBDLFYJUPNIOEF-GOSISDBHSA-N 433.512 3.451 5 40 IGBB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224875287 DZHPSBNJMWGXOW-OAHLLOKOSA-N 447.463 3.065 5 40 IGBB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)Cc3ccc([N+](=O)[O-])cc3)co2)n1 9829291 CYGQTUSUBUFROC-UHFFFAOYSA-N 427.438 3.395 5 40 IGBB CN(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 22278829 FJBUZFZFJAHTQW-UHFFFAOYSA-N 439.493 3.449 5 40 IGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 23561389 LANWQHLLODMWPD-FOIQADDNSA-N 433.505 3.404 5 40 IGBB O=C(OCC(=O)N1CCN(Cc2cccs2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 40023650 LJCRNELAIOUDHJ-UHFFFAOYSA-N 445.522 3.372 5 40 IGBB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc([N+](=O)[O-])c1O 109047027 IVZBGPLSASOWTN-OVCLIPMQSA-N 448.409 3.315 5 40 IGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCc2ccccc21 10449066 XXDXFIDPMYUPSJ-UHFFFAOYSA-N 437.477 3.379 5 40 IGBB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1 28698752 XMPVTKWQBGMQGR-LBPRGKRZSA-N 427.442 3.006 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccccc12 43732516 KLVCZFCNRQZKKU-JLGINSKQSA-N 428.448 3.366 5 40 IGBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100177647 POQDZIIEHKXSAI-LLVKDONJSA-N 432.349 3.035 5 40 IGBB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010167 WIAANRNIOMUEAA-UHFFFAOYSA-N 432.376 3.372 5 40 IGBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 14199234 DCTVTYDHUIQULY-UHFFFAOYSA-N 441.469 3.494 5 40 IGBB COc1cc(CCNC(=O)c2cc(Cl)c3c(c2)OCCCO3)c([N+](=O)[O-])cc1OC 16143799 FMHZLHKRFSVALP-UHFFFAOYSA-N 436.848 3.399 5 40 IGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581042 OZOOYIVANYTWRP-WMZHIEFXSA-N 447.491 3.450 5 40 IGBB CCCCc1nn2c(=O)cc(N3CCN(c4ccc([N+](=O)[O-])cc4Cl)CC3)nc2s1 5946683 JQCVSCWLIXKBHK-UHFFFAOYSA-N 448.936 3.382 5 40 IGBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N[C@H](C)c1ccccc1 9053813 IXCXKTJQLRBPDE-HZPDHXFCSA-N 447.513 3.024 5 40 IGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 13941709 CKPKWFAWIXRTBZ-ZDUSSCGKSA-N 428.445 3.373 5 40 IGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccco1 16430145 CECCKDCUHLZYHZ-UHFFFAOYSA-N 443.529 3.015 5 40 IGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)N(Cc1ccccc1)N[C@H]2c1ccc([N+](=O)[O-])cc1 102871086 BQUOUFFAFFJOTE-FKBYEOEOSA-N 428.448 3.215 5 40 IGBB C[C@H](c1ccccc1)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O 9122780 RMCDXTYIXGQFFN-VEQVNTQVSA-N 448.479 3.336 5 40 IGBB CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)sc2c1 9730459 WSVMMDXQAPAWFD-UHFFFAOYSA-N 443.466 3.046 5 40 IGBB CN(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1C(F)(F)F 12526672 AKMHOTQAZLKYOI-UHFFFAOYSA-N 436.434 3.394 5 40 IGBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 13041232 DXSZWJFRGUHUDE-UHFFFAOYSA-N 433.486 3.420 5 40 IGBB O=C(O)CCc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccccc3)nn12 71924133 REOZMLFKGVXPDD-UHFFFAOYSA-N 425.242 3.084 5 40 IGBB Cc1cc([N+](=O)[O-])cc(C)c1C(=O)OC[C@H](CO)OC(=O)c1c(C)cc([N+](=O)[O-])cc1C 2187151 QTMCXOFGQCMENM-KRWDZBQOSA-N 446.412 3.111 5 40 IGBB Cc1c(NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cccc1[N+](=O)[O-] 9588966 HGLAOMMXIDOCNH-UHFFFAOYSA-N 444.447 3.337 5 40 IGBB Cc1[nH]nc(O)c1C(c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1c(O)n[nH]c1C 17086145 IEGVNGKPUWBJMG-UHFFFAOYSA-N 449.423 3.468 5 40 IGBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153168 PYCDJFQZFVSLRB-UHFFFAOYSA-N 428.470 3.328 5 40 IGBB COc1cc(N[C@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)C2)cc(OC)c1 84086054 HXFGNFVUQXMCGJ-INIZCTEOSA-N 449.529 3.494 5 40 IGBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O)c1ccccc1 408686843 SJLIUGVMXISJKW-UHFFFAOYSA-N 429.388 3.131 5 40 IGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)c1ccc(OC(F)(F)F)cc1 1073229 HFKHGZYXVQPCOU-UHFFFAOYSA-N 437.172 3.424 5 40 IGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 9714623 RTPYDJQLYKNQNH-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1 32744729 YTGQBGUZKWPHCK-IBGZPJMESA-N 441.484 3.426 5 40 IGBB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCCN(C)C)[C@H]3c1cccc([N+](=O)[O-])c1 8856342 QRKNGJHHCUMDAH-FQEVSTJZSA-N 437.452 3.207 5 40 IGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCS(=O)(=O)c3ccc(C)cc3)nc12 15391481 JGYLBFZJRWPQHA-UHFFFAOYSA-N 435.483 3.324 5 40 IGBB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220402140 IACHTOGLTDRVRR-NSHDSACASA-N 431.392 3.407 5 40 IGBB Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 9338788 LNUGXDAEJKMSOU-UHFFFAOYSA-N 432.502 3.128 5 40 IGBB O=C(NCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 19633112 JCKSRHNGBVUESY-UHFFFAOYSA-N 441.227 3.360 5 40 IGBB COc1ccc(OCCN2CCN(C(=O)[C@@H](C)Sc3ccc([N+](=O)[O-])cc3)CC2)cc1 25169283 GIDOGLBFTZVNQE-QGZVFWFLSA-N 445.541 3.307 5 40 IGBB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32774235 SJFQASQMDSZKMG-INIZCTEOSA-N 427.457 3.232 5 40 IGBB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224771618 IUQWMCPYXUADHC-KRWDZBQOSA-N 443.500 3.234 5 40 IGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1 408638035 BOAYXABZWZICDI-LLVKDONJSA-N 434.246 3.358 5 40 IGBB CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 409131027 MQRFUFACJQOWOX-UHFFFAOYSA-N 441.469 3.298 5 40 IGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1Cl 9963493 JEGZOACMBNJIGS-CYBMUJFWSA-N 425.894 3.442 5 40 IGBB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1 12754826 AYEZDXHZKJKLPR-QGZVFWFLSA-N 434.290 3.161 5 40 IGBB Cc1cccc(C(=O)OCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c1[N+](=O)[O-] 13159871 DIKUXODIPCMEJA-FQEVSTJZSA-N 428.441 3.345 5 40 IGBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(C)cc5)c(=O)c4cc3c2=O)n1 40398933 HUKGGLAMBXCHJZ-UHFFFAOYSA-N 430.493 3.228 5 40 IGBB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(C(=O)OCC)cc([N+](=O)[O-])c1 69008772 RZJZMFNRXCDEFY-UHFFFAOYSA-N 443.456 3.271 5 40 IGBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2[N+](=O)[O-])[C@H]1[N+](=O)[O-] 245226305 PZIQMTLYSMCNCR-XMTFNYHQSA-N 445.388 3.205 5 40 IGBB Nc1nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1NC(=O)c1ccc(Cl)cc1 9518156 GNXKTKLQGMOVLP-UHFFFAOYSA-N 431.861 3.458 5 40 IGBB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 14127123 NVZYKGBMSLJJMZ-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nn2c(C)nnc2SCc2ccccc2)cc1[N+](=O)[O-] 14271450 VHPFMXVILPQPMD-UHFFFAOYSA-N 442.526 3.354 5 40 IGBB O=c1cc(CN2CCN(Cc3ccccc3)CC2)occ1OCc1cccc([N+](=O)[O-])c1 22852839 HITIKBJEBKABGV-UHFFFAOYSA-N 435.480 3.445 5 40 IGBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3)cc3c(=O)n4ccccc4nc32)cc1 100851386 VNZRMVPNEHEEKF-UHFFFAOYSA-N 449.514 3.415 5 40 IGBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728087 SMGNEMKOKOFQCE-SOFYXZRVSA-N 429.366 3.468 5 40 IGBB CC[C@H](c1nnnn1Cc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35291379 NWWOKFIDQAQIBY-HXUWFJFHSA-N 425.468 3.042 5 40 IGBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1C[C@H]1CCCO1 40399034 RROBWMVWEDYJDS-MRXNPFEDSA-N 446.511 3.045 5 40 IGBB O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 97105192 YKXVUBBMZQFWGQ-UHFFFAOYSA-N 441.318 3.348 5 40 IGBB Cc1ccc(C)c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 139091040 VDPQWGISBMJPOS-INIZCTEOSA-N 425.441 3.055 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1c(C)cccc1C)S(C)(=O)=O 222368939 NDXQBJJLPZHXMB-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222538950 AXIPUGMRRQHJJA-INIZCTEOSA-N 427.429 3.365 5 40 IGBB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545879 DUIIIFQLYMKQMW-QGZVFWFLSA-N 435.502 3.404 5 40 IGBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nccs3)s2)cc1[N+](=O)[O-] 9368159 XURPCTVXYRKULO-UHFFFAOYSA-N 436.500 3.194 5 40 IGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 9373159 KKYXRQMYWMLZAF-MRXNPFEDSA-N 431.792 3.423 5 40 IGBB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 14608305 KLROOCYYFHNGLS-HNNXBMFYSA-N 441.827 3.347 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccccc12 15970613 SVKPQABTYLBYBG-GQOCTPOGSA-N 428.448 3.366 5 40 IGBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17095344 IQKHNJLSNZYUHN-UHFFFAOYSA-N 427.398 3.394 5 40 IGBB O=C(NCc1ccccc1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199424839 BYJSKFXXXKBAAV-LJQANCHMSA-N 425.828 3.150 5 40 IGBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 205738741 XUCMCVVYRWZMOX-CXUHLZMHSA-N 432.410 3.463 5 40 IGBB CC[C@@H](C(=O)NCc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222522985 RIZUJBQVWSDPKQ-KRWDZBQOSA-N 425.894 3.109 5 40 IGBB CS(=O)(=O)N(CCCC(=O)NCCSc1ccccc1)c1cccc([N+](=O)[O-])c1 222686469 NFIQJPBBZJUZRY-UHFFFAOYSA-N 437.543 3.050 5 40 IGBB O=C(N[C@@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 9916633 QFLBBYOEOYKQCT-NRFANRHFSA-N 432.480 3.164 5 40 IGBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 21308699 QCMSZJBRQCNXKH-MRXNPFEDSA-N 439.346 3.289 5 40 IGBB CC1=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408641267 CEWDVMPBYXWIHY-VQTJNVASSA-N 447.447 3.176 5 40 IGBB O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1[N+](=O)[O-] 20103548 LGYRVEIOFODPMV-HXUWFJFHSA-N 442.435 3.456 5 40 IGBB CN1CCN(S(=O)(=O)c2ccc(Nc3ccc(F)c(Cl)c3)c([N+](=O)[O-])c2)CC1 36321628 DVFBPPTZPQEQQH-UHFFFAOYSA-N 428.873 3.067 5 40 IGBB COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC 40134366 HPERXAWMQGBLMT-OAHLLOKOSA-N 429.473 3.248 5 40 IGBB CN(C)CCCNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 3098106 UYGHLKBSTWSEMD-RGEXLXHISA-N 430.892 3.087 5 40 IGBB C[C@@H](NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 9703551 ZSSFZTDTZOOHSR-BUBBNXEVSA-N 435.546 3.131 5 40 IGBB C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NCCN5CCOCC5)nn4c(=O)c23)C1 21548821 CHPARBDWAZNSEQ-OAHLLOKOSA-N 449.580 3.326 5 40 IGBB CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 32770541 PHDDFTSGBUYJOB-UHFFFAOYSA-N 425.894 3.158 5 40 IGBB O=C([C@H]1Cc2ccccc2CN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CCCC1 48289175 NMBGHJVOEHLLHQ-HXUWFJFHSA-N 433.468 3.194 5 40 IGBB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408663694 BEFHNMHDRKBMSZ-MRXNPFEDSA-N 425.441 3.000 5 40 IGBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCc2ccccc21 9712978 LUUHHUNEMOSRHT-UHFFFAOYSA-N 449.916 3.238 5 40 IGBB CCOC(=O)c1cc(C(=O)OCC(=O)c2cc(C)n([C@@H](C)COC)c2C)cc([N+](=O)[O-])c1 10855729 RCWITPYGXLHPLE-AWEZNQCLSA-N 446.456 3.437 5 40 IGBB COc1ccc(NC(=O)[C@@H](C)N2CCN(Cc3ccc(Cl)s3)CC2)c([N+](=O)[O-])c1 14932863 IFJYFLXZJIAXQW-CYBMUJFWSA-N 438.937 3.463 5 40 IGBB COC(=O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015963 WGEZALITKDAHHI-UHFFFAOYSA-N 434.470 3.285 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1Cl 408645818 MDCXIQZBUSNUJQ-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB COc1ccc(NC(C)=O)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 10187827 MBCLAGZDEBYSLI-UHFFFAOYSA-N 436.424 3.024 5 40 IGBB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)nn1 15880863 RHHKVRCBLDVRDQ-UHFFFAOYSA-N 432.845 3.361 5 40 IGBB Nn1c(COc2ccc(Cl)cc2)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 3568870 NWYRWORYPZCIJR-UHFFFAOYSA-N 449.876 3.291 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cc(C)n(C(C)C)c2C)CC1 12882185 LOIRSUCCDCQXTD-UHFFFAOYSA-N 448.545 3.049 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(Cl)c1)S(C)(=O)=O 13712480 BSZMNCAFHWVCBW-INIZCTEOSA-N 441.893 3.440 5 40 IGBB O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 13881477 DMICTWXCJHMGHV-UHFFFAOYSA-N 428.239 3.388 5 40 IGBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(S)N(C3CC3)C2=O)[C@H]1c1ccccc1 17112697 UONGBQDGZLDGOL-GCJKJVERSA-N 436.493 3.132 5 40 IGBB O=C(C[C@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccc([N+](=O)[O-])cc1 23411275 REZGKVRWSNLLFE-FQEVSTJZSA-N 442.435 3.456 5 40 IGBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(Br)cc1)C2=O 8856711 XRCALDUFKDBYDZ-QGZVFWFLSA-N 443.257 3.354 5 40 IGBB CC(C)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 9328531 IPESCDKHOHDSIF-NFBKMPQASA-N 432.480 3.417 5 40 IGBB biogenic C[C@@H]1CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408650643 MMQOPFPOPWMMIT-XPGWFJOJSA-N 449.463 3.256 5 40 IGBB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12563570 NIQDAUAHMNDJKO-GOSISDBHSA-N 446.916 3.400 5 40 IGBB COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 13845210 NSOQAIGQGDYPPD-LLVKDONJSA-N 427.866 3.050 5 40 IGBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 14271018 BAHDUGYLLYKYFS-UHFFFAOYSA-N 445.457 3.239 5 40 IGBB Cc1cccc(N2C[C@H](C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C 22028673 WLAJDMGWVCIMJO-HZPDHXFCSA-N 425.441 3.135 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CN(Cc2ccccc2)CCO1 24926291 RWRDPFIOPVYAPO-NRFANRHFSA-N 441.531 3.172 5 40 IGBB O=C(C[C@H](NCCNc1ccccc1[N+](=O)[O-])C(=O)O)Nc1cccc(Cl)c1Cl 65090381 XBDPBZUTVSJIRX-AWEZNQCLSA-N 441.271 3.385 5 40 IGBB O=C(NC1CCN(CC2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 95989284 NZDOXOAFCJHLQQ-UHFFFAOYSA-N 430.549 3.206 5 40 IGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408680818 GZIAMLRDXFJOOV-FEBSWUBLSA-N 437.427 3.322 5 40 IGBB Cn1c(CCC(=O)Nc2ccccc2F)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 9327597 GEZWDXQPWVLJCF-UHFFFAOYSA-N 443.460 3.409 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 408661053 OBWSWXARPQNJQJ-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB CCCCN1C(=O)[C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 9302758 IHGXQWDGNSOYBF-MBDNFAEBSA-N 445.475 3.463 5 40 IGBB CNc1cc2ncn(C[C@H](O)COc3ccc(Cl)cc3Cl)c(=O)c2cc1[N+](=O)[O-] 12607949 ZQMBWRLTTUOBTQ-NSHDSACASA-N 439.255 3.093 5 40 IGBB CCCn1c(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n[nH]c1=O 14234956 YUEDMAKQYKIVDK-SNVBAGLBSA-N 434.503 3.132 5 40 IGBB COc1ccc(NC(=O)CN(C)Cc2cc(Br)ccc2OC)c([N+](=O)[O-])c1 9491241 YMBLDABOEAZIML-UHFFFAOYSA-N 438.278 3.445 5 40 IGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 24337836 JSHHCAPAUZLQIY-UHFFFAOYSA-N 432.908 3.151 5 40 IGBB CC1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1 25389872 BFXRTVRYUJVPFE-OAHLLOKOSA-N 428.455 3.383 5 40 IGBB COc1cc(Cl)c([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408567844 RXJHJDPLZCXBGP-QRXQEZHUSA-N 443.887 3.412 5 40 IGBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1 3286021 BQUPJHVINLVBLC-UHFFFAOYSA-N 443.403 3.283 5 40 IGBB Cc1cc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1C 8623682 KMRCYCZOZHCMMR-HXUWFJFHSA-N 430.848 3.271 5 40 IGBB CN(Cc1ccc(F)cc1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 12523318 JOJKYJHHBOWKJJ-UHFFFAOYSA-N 437.475 3.063 5 40 IGBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc([N+](=O)[O-])c1O 408919662 ZWJPJVZIUWHPDM-OVCLIPMQSA-N 431.382 3.454 5 40 IGBB CC(C)(C)OC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@]1(C)O 4111592 RRLRTYLZAZPELC-VOLVWJTLSA-N 449.500 3.318 5 40 IGBB CC[C@H](C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6821291 NPGAYBDFBQBWHP-HNNXBMFYSA-N 435.502 3.022 5 40 IGBB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] 12980423 ZKDWPSYCGANDQL-MRXNPFEDSA-N 434.470 3.291 5 40 IGBB CCN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 19683947 UBWBNIXUZIPKDQ-UHFFFAOYSA-N 438.937 3.499 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1[N+](=O)[O-] 22028521 RNDRQWJVVHXDBX-MRXNPFEDSA-N 425.441 3.055 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 222373442 HGTIRMRJZNMDST-UHFFFAOYSA-N 431.514 3.034 5 40 IGBB Cc1c(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cccc1[N+](=O)[O-] 3008840 XCTDJSHVJQSFOF-UHFFFAOYSA-N 446.872 3.423 5 40 IGBB CCCCc1nn2c(=O)cc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)nc2s1 5946687 BKYFNPKJCDHHPV-UHFFFAOYSA-N 448.936 3.382 5 40 IGBB CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 13071685 WHTGWVFEOMWCRU-UHFFFAOYSA-N 429.864 3.254 5 40 IGBB Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1[N+](=O)[O-] 23026003 QLSAFABEJKVCLH-UHFFFAOYSA-N 429.498 3.149 5 40 IGBB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223374983 YAJZVZKOVREQFS-HXUWFJFHSA-N 445.541 3.390 5 40 IGBB CCCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 9933570 BYGSQWKVJOESKT-UHFFFAOYSA-N 443.456 3.016 5 40 IGBB COc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)cc1 12786539 HYEXMEBSGVONPU-MRXNPFEDSA-N 430.442 3.051 5 40 IGBB COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CCCCC2)ccc1OCC(N)=O 19633675 XGPSVXDIGNMUTG-UHFFFAOYSA-N 441.484 3.443 5 40 IGBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1Cl 20215612 MBYMAYOEBQYWBA-UHFFFAOYSA-N 437.840 3.073 5 40 IGBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1O 409248843 RPJUNYHZYLRSOF-VIZOYTHASA-N 447.400 3.123 5 40 IGBB COc1ccccc1NC(=O)CSc1nnc(COc2ccccc2[N+](=O)[O-])n1C 906566 BOAGVWKCHPQQBL-UHFFFAOYSA-N 429.458 3.042 5 40 IGBB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(F)cc3[N+](=O)[O-])C2=O)cc1 8946738 HIHNEPCCZKRNAM-QFIPXVFZSA-N 442.447 3.437 5 40 IGBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@]32CSC(=O)N2)cc1OC 16768107 WFDBUFCDVRPJEF-MGPUTAFESA-N 442.453 3.266 5 40 IGBB CCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 102942502 DVYQFLFVEIOLLE-VYIQYICTSA-N 444.491 3.102 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(C)cc1C)S(C)(=O)=O 222368765 ZOZJBOQKILPZIR-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547245 BVJXTNRBPSEGCP-QGZVFWFLSA-N 439.534 3.155 5 40 IGBB CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260743641 NYEUTFTXJVGSSD-HNAYVOBHSA-N 449.529 3.334 5 40 IGBB COCCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 9509956 UZKSOCPPWFCSPY-UHFFFAOYSA-N 429.473 3.299 5 40 IGBB COc1ccc(NC(=O)/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)c([N+](=O)[O-])c1 9562896 ZVLCAJGERAVLRL-MDZDMXLPSA-N 438.484 3.064 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c([N+](=O)[O-])c1 9631383 CMMNLQFEZFTXJV-UHFFFAOYSA-N 430.398 3.113 5 40 IGBB CN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 12139921 MDFXIAAFEUNZRD-XJKCOSOUSA-N 429.376 3.102 5 40 IGBB O=C(CCn1cnc2ccc(Br)cc2c1=O)OCc1ccccc1[N+](=O)[O-] 24127038 AZXNXJMRPHTRIB-UHFFFAOYSA-N 432.230 3.201 5 40 IGBB Cc1nccn1C[C@H]1CCCN1c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 95407814 DWJJRWOIQJNEAB-GOSISDBHSA-N 447.561 3.333 5 40 IGBB CC(C)C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 95444978 KQJOGSKBZXSKIB-QGZVFWFLSA-N 428.445 3.420 5 40 IGBB O=C1[C@H]2[C@H]3C[C@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@H]1ON=C(c2cccc([N+](=O)[O-])c2)[C@@H]31 247361175 ZPMSFDKNUSZIOB-KMBCLYMLSA-N 437.839 3.423 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 260587986 DEQWJWOYYFHFRL-IAGOWNOFSA-N 433.530 3.195 5 40 IGBB COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)sc2c1CCCC2 2786231 RYBNKQPZUXCNOM-UHFFFAOYSA-N 446.407 3.484 5 40 IGBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1F 12597822 JFDQHAIFIKQTGX-LBPRGKRZSA-N 427.429 3.067 5 40 IGBB N=c1c(C(=O)Nc2nccs2)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 16779448 BOVRCAKNQFWMTI-UHFFFAOYSA-N 442.504 3.080 5 40 IGBB O=C(Nc1ccccc1)C1CCN(C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)CC1 16785542 FVUSXLKJAOLPAH-VOTSOKGWSA-N 437.452 3.352 5 40 IGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 19879090 JKAGJSGDRRPKKZ-MRXNPFEDSA-N 426.372 3.167 5 40 IGBB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085036 CYGRXRMYXREAKZ-UHFFFAOYSA-N 430.841 3.454 5 40 IGBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)NC[C@H]1CCCO1 9295513 VHUKCVQEIMQASY-MNDMWVCDSA-N 431.445 3.134 5 40 IGBB CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9982193 PODNBVJCJLPGCB-HSZRJFAPSA-N 438.484 3.189 5 40 IGBB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 11461961 UTQPPSJODKKCDD-UHFFFAOYSA-N 435.314 3.251 5 40 IGBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC)cc1 15276470 QYIAURVNNDKFEZ-MRXNPFEDSA-N 442.877 3.230 5 40 IGBB O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)N1CCCCC1 409382412 LXEZXDKYWHPZJO-QPEQYQDCSA-N 425.850 3.003 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3092845 XQXIJYOBNPXASW-UHFFFAOYSA-N 434.499 3.487 5 40 IGBB CCCn1c(=O)n(C)c(=O)c2c(SCc3cccc([N+](=O)[O-])c3)nc(CC(C)C)nc21 16044036 TVTQVNYWSQIXRU-UHFFFAOYSA-N 443.529 3.299 5 40 IGBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1c(F)c(F)c(OC)c(F)c1F 17098338 QYBJGQFJPOYUDD-UHFFFAOYSA-N 433.339 3.295 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 32754357 LQTUUUAFINQOAM-LBPRGKRZSA-N 426.495 3.446 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)c2ccccc2F)CC1 32906108 ZCUXWXCZRPOLSG-UHFFFAOYSA-N 443.478 3.278 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103528364 NGRVVTWGWQTRJM-VNTMZGSJSA-N 446.463 3.089 5 40 IGBB CC1=CC[C@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408641268 CEWDVMPBYXWIHY-WOJBJXKFSA-N 447.447 3.176 5 40 IGBB O=[N+]([O-])c1ccccc1-c1nc(S(=O)(=O)c2ccc3c(c2)OCCO3)c(NC2CC2)o1 13693307 FDHVZNIUSMXLQF-UHFFFAOYSA-N 443.437 3.428 5 40 IGBB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 104818309 PESQUIJHARZZEO-CZUORRHYSA-N 443.504 3.365 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 2072178 XBLFZRKJWZKDGW-UHFFFAOYSA-N 441.469 3.391 5 40 IGBB COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 2786049 BKEJERDXTIPXIH-CTNGQTDRSA-N 447.451 3.018 5 40 IGBB Cc1ccc(NC(=O)Cc2nc(COC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)cs2)cc1 3452590 URKYWALWLLVAED-UHFFFAOYSA-N 443.485 3.098 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 4157385 CLOUJLCDLCKLFV-RWFYYTQISA-N 448.431 3.170 5 40 IGBB CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 13305502 OGZZUZJQCUFIAQ-CKEIUWERSA-N 443.403 3.493 5 40 IGBB Cc1nn(CCNC(=O)c2ccn(COc3ccc(C(C)(C)C)cc3)n2)c(C)c1[N+](=O)[O-] 13960300 ULBRCKFCVXLEME-UHFFFAOYSA-N 440.504 3.369 5 40 IGBB Cc1ccc2nc3nc(NC[C@H]4CCCO4)c(C(=O)NCc4ccccc4)cc3c(=O)n2c1 20051725 BLMLYRZFMJTLIR-GOSISDBHSA-N 443.507 3.072 5 40 IGBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1O 20153222 WIFLTILKJWSEQB-UHFFFAOYSA-N 444.469 3.116 5 40 IGBB CC(=O)c1cccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c1 32640707 FJHDNHFMBNRDHE-RTBURBONSA-N 445.522 3.072 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)c([N+](=O)[O-])c1 32754358 LQTUUUAFINQOAM-GFCCVEGCSA-N 426.495 3.446 5 40 IGBB COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1OC 32770610 JGCQWEDYOTXDOX-UHFFFAOYSA-N 430.866 3.095 5 40 IGBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccc(Cl)cc1)N1CCCN21 100829578 GOHDMJMWXUVVEM-KURKYZTESA-N 447.278 3.437 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 102084219 DZEQQNBGZQZUPH-SOXBMFEASA-N 429.432 3.405 5 40 IGBB O=c1[nH]c(/C=C/c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 108113739 MMZPRUVJFRLVMI-MDZDMXLPSA-N 433.380 3.053 5 40 IGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CCCCC1 408675073 GHIILIQWAMPJJT-UHFFFAOYSA-N 433.486 3.467 5 40 IGBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1 15481613 YLCGIQURLLAULP-UHFFFAOYSA-N 436.367 3.073 5 40 IGBB CC(C)CCN1CCN(c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1 32932683 QAJHMLIBYVKKGB-SFHVURJKSA-N 438.594 3.184 5 40 IGBB O=c1c2cc3c(=O)n(-c4nc(C5CCCCC5)n[nH]4)ccc3nc2ccn1C[C@@H]1CCCO1 40399033 RROBWMVWEDYJDS-INIZCTEOSA-N 446.511 3.045 5 40 IGBB Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Br)c1 58219034 VQLYZNWGFCOCLG-UHFFFAOYSA-N 433.306 3.426 5 40 IGBB Cc1cc(=O)c(C(=O)Nc2ccnn2Cc2cccs2)nn1-c1ccccc1[N+](=O)[O-] 58310061 YPLKITLRRDJZEW-UHFFFAOYSA-N 436.453 3.008 5 40 IGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1 102743892 KRGAGBPBKWRHHJ-HPNDGRJYSA-N 444.491 3.456 5 40 IGBB COc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1Cn1cc([N+](=O)[O-])cn1 2786050 BKEJERDXTIPXIH-TZIWHRDSSA-N 447.451 3.018 5 40 IGBB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 3269225 FNDKSXFBNYMQEP-ACJLOTCBSA-N 431.420 3.059 5 40 IGBB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1 3406505 WSRAJBDOMZFAOG-UHFFFAOYSA-N 434.865 3.492 5 40 IGBB Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)CC2)c1C 9580956 UFEZIKFPPNQIFY-UHFFFAOYSA-N 447.495 3.028 5 40 IGBB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 10186757 IOEHPFQYQAAJDT-UHFFFAOYSA-N 440.481 3.402 5 40 IGBB CCOC(=O)C1=C(CN(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1ccco1 39992539 FKANSJXSQHVHSN-DJJJIMSYSA-N 428.445 3.052 5 40 IGBB CCN(CC)S(=O)(=O)c1ccc(Nc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 58157970 WZJTUKOPRUZBIJ-UHFFFAOYSA-N 448.545 3.201 5 40 IGBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100555642 CLOUJLCDLCKLFV-PBFVBANWSA-N 448.431 3.170 5 40 IGBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCCO)cc1 13304885 GVGOXIRZJQMOSI-ZHZULCJRSA-N 435.436 3.043 5 40 IGBB Cc1c(CS(=O)(=O)[C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)cccc1[N+](=O)[O-] 48250865 SSAPZXXYZWACLL-AWEZNQCLSA-N 434.470 3.007 5 40 IGBB CC[C@H](C(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1)C(C)C 104176425 BJBWPCDPXOZHOF-LCOYLEKLSA-N 430.565 3.296 5 40 IGBB CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 408557917 OUFZCUUKONXLND-INIZCTEOSA-N 447.513 3.341 5 40 IGBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1cccc(Cl)c1)C(F)(F)F 8445310 LVGLADRVUHWVQN-INIZCTEOSA-N 446.769 3.026 5 40 IGBB COC(=O)c1cn(C)c(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1C(=O)OC 32925944 DWFJFQHAIFDLGT-UHFFFAOYSA-N 437.408 3.426 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](c1ccccc1F)N1CCOCC1 95402680 ZGAYCRXIDYOONE-QGZVFWFLSA-N 425.363 3.347 5 40 IGBB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408638082 BCQJJAILHXHCDU-MRXNPFEDSA-N 425.441 3.462 5 40 IGBB Cc1c(N(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)S(C)(=O)=O)cccc1[N+](=O)[O-] 222983824 SDXMAHCZJOEHCR-INIZCTEOSA-N 445.541 3.425 5 40 IGBB CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 9665980 VFDAQQMCNVZHTH-UHFFFAOYSA-N 434.880 3.464 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Br)S(C)(=O)=O 10338947 WSAJVXBHNIQHLD-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 13146355 MJABZDUINRZKBY-UHFFFAOYSA-N 445.541 3.104 5 40 IGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22907503 IPLQAWGIZITOCD-FQEVSTJZSA-N 434.452 3.042 5 40 IGBB COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 205819272 NXBKXBNPFCJOHH-LICLKQGHSA-N 428.422 3.383 5 40 IGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 409096222 JTZUBSHBFMZNHO-LICLKQGHSA-N 443.437 3.374 5 40 IGBB O=C(O)[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccc(Cl)cc1 547873010 AEPZYOCCUHVHLD-LLVKDONJSA-N 433.269 3.123 5 40 IGBB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] 9510276 NNHQXMWNWAGUDI-UHFFFAOYSA-N 448.815 3.164 5 40 IGBB O=C(Cn1cc(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCCC1 9519661 HUSNQOSPXVSJEV-UHFFFAOYSA-N 427.482 3.146 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1 9715841 SOFABPCHYLDTEM-CQSZACIVSA-N 433.486 3.276 5 40 IGBB O=C(CSc1nc(=O)n(Cc2ccco2)c2c1CCCC2)Nc1cccc([N+](=O)[O-])c1 10186762 NWFGWHGKTORLHH-UHFFFAOYSA-N 440.481 3.402 5 40 IGBB CCOc1c(F)cccc1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 95939691 DRNQVHGLDKVNEZ-UHFFFAOYSA-N 427.436 3.361 5 40 IGBB COc1cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 219823915 WOSRRRNRFLZHBJ-UHFFFAOYSA-N 439.390 3.350 5 40 IGBB CC[C@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521500 VQUZWKGZMWRYNE-GOSISDBHSA-N 443.591 3.322 5 40 IGBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1Cl 408665563 FWBWULFBCYFWRF-AWEZNQCLSA-N 445.859 3.400 5 40 IGBB CCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409120886 UJYDHBWTOCDNAG-UHFFFAOYSA-N 435.502 3.023 5 40 IGBB COc1ccc(OC)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])s4)CC3)nc12 10166336 RZANWMAUNQPFRC-UHFFFAOYSA-N 434.499 3.246 5 40 IGBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 13624260 KLVCZFCNRQZKKU-UTSGNWPNSA-N 428.448 3.366 5 40 IGBB O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 16401484 CCBNDUNJVQEGED-UHFFFAOYSA-N 434.905 3.207 5 40 IGBB CS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccc(Cl)cc21 20482881 WNYRCWQURNBXPR-OAHLLOKOSA-N 446.268 3.067 5 40 IGBB Cc1cccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)c1[N+](=O)[O-] 32808565 UFOINSRXGACEKV-UHFFFAOYSA-N 429.498 3.281 5 40 IGBB CC[C@@H](C(=O)NCCCc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222527158 DENHAEXLQZNACL-FQEVSTJZSA-N 433.530 3.197 5 40 IGBB CCOC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225030456 ILKYWIZTKYBNPV-UHFFFAOYSA-N 428.850 3.015 5 40 IGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2659962 SJLGIMHFFMYILQ-UHFFFAOYSA-N 449.426 3.013 5 40 IGBB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)/C=C/c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 9128969 JTZVSWCZJFFSGG-YPUOHESYSA-N 443.481 3.075 5 40 IGBB O=C(N[C@H](Cc1ccccc1)C(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccccc1 9916634 QFLBBYOEOYKQCT-OAQYLSRUSA-N 432.480 3.164 5 40 IGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] 19868601 GCKBBXASBLSHQD-UHFFFAOYSA-N 435.477 3.223 5 40 IGBB Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 25373433 ZDCYKGPTLJEFRY-UHFFFAOYSA-N 437.905 3.271 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225532014 QSWKXRJYGYDOCR-QGZVFWFLSA-N 443.500 3.233 5 40 IGBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] 8680021 YMSNIBJXKLLBMD-UHFFFAOYSA-N 426.473 3.160 5 40 IGBB C[C@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc2c(c1)OCCO2 8824694 IXRMZAOAPCFAHT-AWEZNQCLSA-N 429.429 3.129 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccc2c(c1)OCCO2 9218337 ANESMKNEYICIEZ-UHFFFAOYSA-N 447.513 3.195 5 40 IGBB Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(=O)(=O)N(C)C)c1 9694872 ZUXBZYZSQPHGAG-UHFFFAOYSA-N 440.909 3.117 5 40 IGBB CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H](Nc2ccccn2)n2nnc3ccccc32)CC1 59488696 XFAKCGDCPMYTFC-QHCPKHFHSA-N 444.499 3.145 5 40 IGBB COc1ccc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br 408566297 NKVJTNGQQWXROZ-NRGOMDOESA-N 432.274 3.026 5 40 IGBB Cc1ccc(-n2nc3c(c2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CS(=O)(=O)C3)cc1 3008556 BBPLMBFDUXJLLP-UHFFFAOYSA-N 446.872 3.423 5 40 IGBB COc1cc2c(cc1OC)CN(S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)CC2 13007959 VABBFNZFFAOKOK-UHFFFAOYSA-N 426.878 3.321 5 40 IGBB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 31778187 GLIOYFWMSBVBIS-LJQANCHMSA-N 431.876 3.229 5 40 IGBB O=[N+]([O-])c1ccc(N2CC(OCCCc3ccccc3)C2)c(S(=O)(=O)N2CCCC2)c1 78998770 RAHHMKRAJKQIOL-UHFFFAOYSA-N 445.541 3.217 5 40 IGBB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223472346 CDFACQQTOSRXBU-KRWDZBQOSA-N 427.501 3.480 5 40 IGBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9494232 ZCBGPXIKBFCQGS-UHFFFAOYSA-N 434.865 3.353 5 40 IGBB O=C(c1ccc(-n2ccnc2)nc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25343851 BLZPXEBCTDMQHP-UHFFFAOYSA-N 446.389 3.157 5 40 IGBB O=C(c1ccco1)N1CCC[C@H](C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)C1 30609156 UOXYPURCTITRBQ-HNNXBMFYSA-N 446.891 3.042 5 40 IGBB Cc1cc(C)n(-c2ccc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cn2)n1 48253831 RBADGBNKZSGJAT-UHFFFAOYSA-N 434.500 3.325 5 40 IGBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 408884654 YRSLTMIQJMQUNP-NVNXTCNLSA-N 447.400 3.123 5 40 IGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 10186914 XQOOJONGVBLCLR-UHFFFAOYSA-N 429.907 3.349 5 40 IGBB C[C@@]12O[C@@H](C[C@@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 11617019 UIARLYUEJFELEN-FMLDBKJISA-N 439.471 3.474 5 40 IGBB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Oc3cc(C)ccc3[N+](=O)[O-])CC2)c1 40130996 JMGQNCQXBDYNEA-UHFFFAOYSA-N 428.441 3.378 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260912669 BKZRTXDHBDRWOX-CVEARBPZSA-N 445.541 3.424 5 40 IGBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3cccc([N+](=O)[O-])c3)nc21 2232646 QDFQDPSAKLDMOW-UHFFFAOYSA-N 428.404 3.465 5 40 IGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCC1 9063803 CHPFQTBUXAUEIA-UHFFFAOYSA-N 433.486 3.339 5 40 IGBB COc1ccc(-c2csc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9728336 LDVBRFUAZMSFEL-UHFFFAOYSA-N 426.454 3.486 5 40 IGBB C[C@H](C(=O)NCCCc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220416182 XWWLEBRYMMZWCE-CQSZACIVSA-N 439.921 3.152 5 40 IGBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCO4)c2ncn1C[C@H]1CCCO1 9542093 CLBHIVKDLXVXKG-OAHLLOKOSA-N 441.447 3.191 5 40 IGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867628 ROAVWNGKGBXFIU-UHFFFAOYSA-N 437.905 3.429 5 40 IGBB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 95347698 JMNXNOZYILVYLE-GOSISDBHSA-N 432.864 3.312 5 40 IGBB CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 15816614 XWNHMPFUWUDJON-AWEZNQCLSA-N 434.493 3.001 5 40 IGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NCCCN2CCCC2=O)c(C)c1 33012193 ZDPQTMPCQYNTAI-UHFFFAOYSA-N 446.529 3.437 5 40 IGBB CCOc1ccc(S(=O)(=O)N(CC)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 39986216 CKZPJQISFRGYOQ-UHFFFAOYSA-N 435.502 3.260 5 40 IGBB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222544949 LXFVDFHHHSAUHB-OAHLLOKOSA-N 441.893 3.440 5 40 IGBB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 11565770 XGUIENOVRZQKND-UHFFFAOYSA-N 430.417 3.254 5 40 IGBB Cc1cccc2c1CCN2C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 604498027 QMQGBMZKAMNXOE-HXUWFJFHSA-N 429.498 3.036 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(OC)c(OC)c1 3228829 DGAPRSWFCMLRMP-PPOCWRSBSA-N 430.413 3.204 5 40 IGBB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 14865211 JDABZZIJFDHXNY-UHFFFAOYSA-N 438.253 3.275 5 40 IGBB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 17101416 CSLOSYSXYMJDGA-UHFFFAOYSA-N 437.500 3.116 5 40 IGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101723801 OBMUTBBPPYUMQF-WCAYHLDQSA-N 430.416 3.372 5 40 IGBB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1 102699627 QKJYOWDIFZIZCD-CEXWTWQISA-N 426.860 3.092 5 40 IGBB COc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222367089 JSWITHCPDCXTMC-HNNXBMFYSA-N 435.502 3.027 5 40 IGBB Cc1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccccc4)c3n2)cc1[N+](=O)[O-] 16097258 OCZYTDDQCMPBHU-UHFFFAOYSA-N 436.453 3.469 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640715 KCNITADKTJAPER-IEBWSBKVSA-N 431.539 3.487 5 40 IGBB Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4ccccc4[N+](=O)[O-])CC3)n2)cc1 32891434 NYKYXQBZHHUATB-ZHACJKMWSA-N 433.468 3.311 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 9330731 NGRVVTWGWQTRJM-HAGHYFMRSA-N 446.463 3.089 5 40 IGBB CCNc1nc2c(s1)[C@@H](c1ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c1)CC(=O)N2 15110136 NZTXIYHIYWKGLX-CQSZACIVSA-N 428.474 3.211 5 40 IGBB CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2O)cc1 22854642 PPRDCWNPWHEFLP-UHFFFAOYSA-N 441.469 3.206 5 40 IGBB COc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1noc(C)n1 78808813 ZBUOFIQPLOCUGD-INIZCTEOSA-N 438.849 3.016 5 40 IGBB Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2601663 WETNUDIWFHTWGA-VIFPVBQESA-N 439.925 3.457 5 40 IGBB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c(C)c1 9327538 KDSQMQILRGFQNK-UHFFFAOYSA-N 439.497 3.496 5 40 IGBB COc1ccc([C@H](CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)N(C)C)cc1OC 9509109 XSUOPNORKASNLL-IBGZPJMESA-N 428.489 3.219 5 40 IGBB COc1ccc(-c2csc(CN3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)n2)cc1 21687824 LRHIKEBJSROBDG-UHFFFAOYSA-N 428.470 3.278 5 40 IGBB CC(C)(C)NS(=O)(=O)c1ccc(Nc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 58147759 APQLDBLGRDTMJP-UHFFFAOYSA-N 448.545 3.247 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1 408639423 WQYWPXAEBFGEBR-UHFFFAOYSA-N 446.441 3.305 5 40 IGBB Nc1c(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc(Br)cc1[N+](=O)[O-] 1652665869 ANCAHWQSBFFNJH-UHFFFAOYSA-N 434.246 3.130 5 40 IGBB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 3595243 DJRMZCZBPZMCQB-FQEVSTJZSA-N 430.848 3.352 5 40 IGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1 8935247 GPVSCSAVHZUMGU-UHFFFAOYSA-N 425.466 3.107 5 40 IGBB O=C(NCCc1nnc2ccc(SCc3ccc([N+](=O)[O-])cc3)nn12)c1ccccc1 9578403 HZAOQCOHFPBCQP-UHFFFAOYSA-N 434.481 3.297 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(NC(=O)c2ccccc2Cl)CC1 12644404 LRAYOJCARDBHTE-UHFFFAOYSA-N 430.892 3.390 5 40 IGBB CC(C)(C)C(=O)[C@@H]1[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN12 103560797 IOOAFZCJSSRLCE-HAGHYFMRSA-N 446.463 3.089 5 40 IGBB CC[C@H]1CN(C(C)=O)[C@H](CC)CN1c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 106923124 PPXHTLFNVFVMCL-OLZOCXBDSA-N 437.440 3.114 5 40 IGBB Cc1cc(N2CCN(CC(=O)Nc3c([N+](=O)[O-])ccc(C)c3C)CC2)nc(C(C)C)n1 15032900 VGHFJSTUMMIPKS-UHFFFAOYSA-N 426.521 3.194 5 40 IGBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(C4CCCCC4)c(=O)c3cc2c1=O 40399093 GWJWCTLRRLGDLV-UHFFFAOYSA-N 447.495 3.414 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H]1COc2ccccc2O1 89866456 WRXJCVZATJJADZ-HNNXBMFYSA-N 433.486 3.021 5 40 IGBB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 17098001 BAUZXUTVMAUBNT-VIFPVBQESA-N 432.527 3.315 5 40 IGBB Cc1ccc([C@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C2CC2)cc1 35306360 NJQVJOBMOJSXLV-QFIPXVFZSA-N 444.557 3.403 5 40 IGBB COCCOc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 35424999 SVMKGBJLHBGOES-SFHVURJKSA-N 425.445 3.402 5 40 IGBB biogenic,in-vitro CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(C)cc1 101176428 GUELINWOKBIXSG-QYQHSDTDSA-N 444.491 3.456 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 224670035 ZZDRVNZIRWZONL-OAHLLOKOSA-N 447.463 3.063 5 40 IGBB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 9717193 TWJLAFQAYHIHHX-UHFFFAOYSA-N 432.502 3.088 5 40 IGBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccccc12 13591306 MCWBHPUGSASSAT-UTSGNWPNSA-N 428.448 3.366 5 40 IGBB Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 95455458 CMBZFPMMJIRVJI-UHFFFAOYSA-N 428.464 3.056 5 40 IGBB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cc([N+](=O)[O-])ccc1C)=C2C 219189863 TVMSBKSWCAVLFS-UHFFFAOYSA-N 447.469 3.070 5 40 IGBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 25356671 QTRROGZLWGLQAO-SNVBAGLBSA-N 438.820 3.458 5 40 IGBB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 32819239 NALGXNHBHITLIT-UHFFFAOYSA-N 431.876 3.414 5 40 IGBB CC1(C)CCc2cc(CC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)ccc2O1 524729570 ZAZNHSBOHLKQIB-AEFFLSMTSA-N 437.496 3.049 5 40 IGBB biogenic CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 6481127 OJERFWXPSIBWCV-UHFFFAOYSA-N 426.433 3.075 5 40 IGBB CCOC(=O)[C@H](NC(=O)c1cc2cc(Cl)ccc2oc1=O)c1cccc([N+](=O)[O-])c1 8753528 QNGXPLCYBQZZJC-QGZVFWFLSA-N 430.800 3.389 5 40 IGBB O=C(O)c1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15675734 BMNMQOJMLNEOMO-IBGZPJMESA-N 446.423 3.366 5 40 IGBB biogenic,in-vitro O=C(C[C@H](NCCNc1ccccc1[N+](=O)[O-])C(=O)O)Nc1ccc(Cl)cc1Cl 65090385 LCPJYLBYTNNCPH-HNNXBMFYSA-N 441.271 3.385 5 40 IGBB CC(C)(C)C(=O)[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=NN21 103528372 NGRVVTWGWQTRJM-MTQWCTHYSA-N 446.463 3.089 5 40 IGBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc([N+](=O)[O-])c1O 215027561 RRLMLBNLLFDNFR-OVCLIPMQSA-N 431.382 3.454 5 40 IGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 9493663 YNAVDXGXQSWDHU-UHFFFAOYSA-N 428.518 3.216 5 40 IGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC1(N2CCOCC2)CCCCC1 12752678 JBMPMXNVFYIUQS-UHFFFAOYSA-N 433.552 3.306 5 40 IGBB CC[C@H](C)c1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])cc1 12869820 ROVJFXXFCKNKIS-ZDUSSCGKSA-N 442.515 3.126 5 40 IGBB CN1CCCN(c2ccc(CNC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cn2)CC1 40152040 QAPFRDTWAJKWLR-UHFFFAOYSA-N 425.514 3.276 5 40 IGBB COc1cc(Cl)c([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408567843 RXJHJDPLZCXBGP-DQMRONCHSA-N 443.887 3.412 5 40 IGBB O=[N+]([O-])c1cnn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c1 2731344 AVDSNIQODCCSJS-UHFFFAOYSA-N 434.844 3.472 5 40 IGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CC[C@H](O)c4ccccc4C3)c([N+](=O)[O-])c2)C1 95467612 DNWBGKPRMMFMNQ-AOMKIAJQSA-N 445.541 3.459 5 40 IGBB Cc1cccc2c1N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CCC2 512306656 RDDJETHPUYDBTQ-GOSISDBHSA-N 443.525 3.283 5 40 IGBB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1C)CS(=O)(=O)C2 3008484 KFFTYAHVAPPVLW-UHFFFAOYSA-N 426.454 3.078 5 40 IGBB COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4cc(OC)c(OC)cc4c(=O)n3c2)c1 13113300 PBFQTDSPVMBQJY-UHFFFAOYSA-N 440.839 3.464 5 40 IGBB Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 58007970 AQLBXXOALDJQFX-UHFFFAOYSA-N 433.486 3.095 5 40 IGBB CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 138752326 TXZAQRQCXGFBJF-UHFFFAOYSA-N 429.429 3.284 5 40 IGBB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224888627 JNFSDNSJRQRWJA-LLVKDONJSA-N 447.391 3.287 5 40 IGBB CCOc1ccc(Cn2cc(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)cn2)cc1OCC 2805370 JRNCEPASTCZBBB-UHFFFAOYSA-N 442.476 3.207 5 40 IGBB CCCCc1nn2c(=O)cc(N3CCN(c4c(Cl)cccc4[N+](=O)[O-])CC3)nc2s1 5946673 WXRUNGIAGMITCT-UHFFFAOYSA-N 448.936 3.382 5 40 IGBB C[C@@H]1CCC[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)C1 8424581 QLBMSDRPDWYIAK-LDBYXDLTSA-N 435.480 3.497 5 40 IGBB C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1S(=O)(=O)c1ccc(Cl)cc1 9008841 MBTWNFNHVVVXDF-GFCCVEGCSA-N 440.865 3.056 5 40 IGBB COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 20106704 YAOKFVLPWMMJGU-FQEVSTJZSA-N 449.529 3.273 5 40 IGBB NC(=O)[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2N1Cc1cccc([N+](=O)[O-])c1 95979971 YKRPHCZTQZOGJD-JOCHJYFZSA-N 447.451 3.384 5 40 IGBB O=C(NCCc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 226092718 AQJZFMSCHSIXER-UHFFFAOYSA-N 437.905 3.005 5 40 IGBB COc1ccc(N(CC(=O)NCCC(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409310708 CMKQTRNBPJVYHT-UHFFFAOYSA-N 449.529 3.269 5 40 IGBB Cn1cc(C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccc(Cl)cc21 524730755 WBKKVVFCZUISBZ-STQMWFEESA-N 426.860 3.161 5 40 IGBB biogenic Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1Cl 9525984 MIBDIMYUQRSBSJ-ZDUSSCGKSA-N 431.832 3.091 5 40 IGBB CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(N3CCCCCC3)c([N+](=O)[O-])c1)C2=O 18023517 UDSONXAPYBECGT-UHFFFAOYSA-N 443.504 3.121 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 32640683 VMSJNLKRPWHFNB-RTBURBONSA-N 431.539 3.487 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCc1ccc(-n2cncn2)cc1 78597013 ZJADLSSTWTXBNC-UHFFFAOYSA-N 427.364 3.081 5 40 IGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnnn1-c1cc(C)ccc1OC 3491315 GCXYMZVAWTYQSC-GFCCVEGCSA-N 444.473 3.015 5 40 IGBB Cc1cc(=O)c(C(=O)NCc2ccc(C(F)(F)F)cc2)nn1-c1ccccc1[N+](=O)[O-] 8724447 HNJLXUVATRHKKM-UHFFFAOYSA-N 432.358 3.398 5 40 IGBB COC(=O)c1ccc2c(=O)[nH]c3c(C(=O)OC(C)C)c4nc5ccccc5nc4n3c2c1 9111505 SXSGDZYVCXBFEG-UHFFFAOYSA-N 430.420 3.229 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1 12526026 UETUPLJDZNGWFH-UHFFFAOYSA-N 426.454 3.029 5 40 IGBB COc1ccccc1[C@@H](CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N(C)C 12785841 UMWHTDNMIJLCLN-HXUWFJFHSA-N 448.545 3.103 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(O)c([N+](=O)[O-])c2)N3)C1 33890709 VCGRZUMRDRDWSA-INIZCTEOSA-N 448.457 3.314 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O 408652941 PGBUYHUXIQAXSK-HOCLYGCPSA-N 426.425 3.079 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nc(-c2ccccc2)c[nH]1 22957031 RLDUHMVBHQYXPO-UHFFFAOYSA-N 446.510 3.157 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2C)CC1 30957082 MDIIDCFUUMTVAL-UHFFFAOYSA-N 443.481 3.105 5 40 IGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N[C@H](c1ccc(F)cc1)C1CCCC1 57986756 MLYFBUMOMIOKRW-FQEVSTJZSA-N 425.416 3.378 5 40 IGBB CCCCn1/c(=N\C(=O)C(CC)CC)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628142 XFCGSAKBRBTYAX-QLYXXIJNSA-N 438.528 3.490 5 40 IGBB Cc1ccc(-n2c(SCC(=O)N3CCOCC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 907442 VIHHUCDGPOWATG-UHFFFAOYSA-N 439.497 3.102 5 40 IGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 9144432 KAZHBJBPWSGGBG-UHFFFAOYSA-N 430.895 3.132 5 40 IGBB CN(C)CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 15922398 OAHDQZJTRXAMAD-XMHGGMMESA-N 430.892 3.087 5 40 IGBB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 18174359 SAQBRLQSBSMIFM-QGZVFWFLSA-N 429.429 3.306 5 40 IGBB COc1c([N+](=O)[O-])cc(NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] 20529131 SDSQSRUOSVXFFB-UHFFFAOYSA-N 443.153 3.369 5 40 IGBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] 26330508 IDWPYTRKHCFMID-UHFFFAOYSA-N 445.435 3.314 5 40 IGBB C[C@H](Cn1ccnc1)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 40088282 DOAFOZYXIAJULB-CYBMUJFWSA-N 425.411 3.231 5 40 IGBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccncc3)c3nnnn3C3CCCC3)CC2)cc1 13561814 QSOKONMDWMOWCF-NRFANRHFSA-N 434.504 3.003 5 40 IGBB CC[C@H](C)n1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16752255 MALLSJZYWQHKAK-KRWDZBQOSA-N 429.524 3.381 5 40 IGBB CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-] 89942257 VFDXDFRQADDSHX-LBPRGKRZSA-N 426.466 3.203 5 40 IGBB CC[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520524 AVHDYXDCABUDPQ-MRXNPFEDSA-N 441.893 3.440 5 40 IGBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)N(Cc1ccccc1)Cc1ccccc1 3241257 ZCQXUTDYRYTEDR-UHFFFAOYSA-N 429.432 3.420 5 40 IGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Cl)s1 3509125 NMFYECAUMCEKNJ-UHFFFAOYSA-N 439.862 3.024 5 40 IGBB COc1cc(-c2noc(CCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc(OC)c1OC 9331291 DMOXNXWDWKWNOW-UHFFFAOYSA-N 428.401 3.242 5 40 IGBB O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 9703781 WCJOECTYTNPSSV-UHFFFAOYSA-N 431.392 3.004 5 40 IGBB Cc1nnc2sc(-c3ccccc3NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])nn12 19629571 CSAKJGOXFIXBGZ-UHFFFAOYSA-N 439.482 3.196 5 40 IGBB O=C(O)CCc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccc(F)cc3)nn12 71924132 JIJFOOCEWHSNSG-UHFFFAOYSA-N 443.232 3.224 5 40 IGBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1Cc1ccccc1 102755958 GZEQEFZTLJYHLO-BHIFYINESA-N 445.431 3.347 5 40 IGBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223764373 QTNRLWRYMPTDJP-AWEZNQCLSA-N 449.891 3.189 5 40 IGBB CCOC(=O)c1sc2ncn3nc([C@H](C)n4nc(C)c([N+](=O)[O-])c4C)nc3c2c1C 2790324 CKKCCWNTECEYOB-NSHDSACASA-N 429.462 3.155 5 40 IGBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1c[nH]c2ccccc12 9766045 QXACKYCQWZDHQZ-UHFFFAOYSA-N 429.454 3.122 5 40 IGBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C1c3ccccc3C2(C(=O)O)c2ccccc21 13635413 CWMWBHQDFXSEDL-IYZJKTGWSA-N 440.411 3.230 5 40 IGBB COC(=O)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])c1 22222712 PTXGGZRLMDQXHN-UHFFFAOYSA-N 427.182 3.301 5 40 IGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H](C)c2nncn2C)c([N+](=O)[O-])c1 40116242 DEXZGVVRPALBHK-CQSZACIVSA-N 430.490 3.112 5 40 IGBB O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 72295978 NQVZPVZZKFXDBW-OAQYLSRUSA-N 436.449 3.325 5 40 IGBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cc(C)ccc1C)S(C)(=O)=O 222368847 KAXBJNZPRKKGQB-UHFFFAOYSA-N 435.502 3.405 5 40 IGBB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224010307 QUTZTQIUILWISD-MRXNPFEDSA-N 445.541 3.390 5 40 IGBB C[C@H](C(=O)NCc1cccc(C(F)(F)F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 225700931 SKFPMKFHUXPZJP-GFCCVEGCSA-N 445.419 3.085 5 40 IGBB COc1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)cc1 12786544 HYEXMEBSGVONPU-INIZCTEOSA-N 430.442 3.051 5 40 IGBB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224972123 WGKQOPJQOUUVKC-MRXNPFEDSA-N 446.529 3.378 5 40 IGBB CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 260743644 NYEUTFTXJVGSSD-KXBFYZLASA-N 449.529 3.334 5 40 IGBB CCOc1ccc(NC(=O)c2ccc(Sc3nnnn3C)c([N+](=O)[O-])c2)cc1OCC 3431168 TZYWLMMUHKPGBM-UHFFFAOYSA-N 444.473 3.319 5 40 IGBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C=C(c1ccccc1)O2 8767162 ZKCBHTLQQHQWCQ-OAHLLOKOSA-N 425.828 3.211 5 40 IGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 9714638 NIDJTLXHMGDLBE-UHFFFAOYSA-N 425.470 3.453 5 40 IGBB CCN1CCN(C(=O)[C@H](C)OC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 32860282 GWDYBJABHFCLKI-ZDUSSCGKSA-N 435.864 3.218 5 40 IGBB CC(C)c1nn2c(=O)cc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)nc2s1 5945216 BDVHTXAJCZNAHG-UHFFFAOYSA-N 434.909 3.163 5 40 IGBB CCN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 9086866 MWGHXSNGAOJDSH-CPUCHLNUSA-N 443.403 3.493 5 40 IGBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)O 9233137 SYGCXLMFHKMQQO-RQZCQDPDSA-N 444.421 3.303 5 40 IGBB COC(=O)C(CCc1ccc([N+](=O)[O-])cc1)(CCc1ccc([N+](=O)[O-])cc1)C(=O)OC 1666552 YCGYNSKARBTTLL-UHFFFAOYSA-N 430.413 3.401 5 40 IGBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1OC 9328554 TXRDPNFFSMEFSN-UHFFFAOYSA-N 443.485 3.447 5 40 IGBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 24988615 DLHUCZGDWCRYDL-OAHLLOKOSA-N 449.916 3.238 5 40 IGBB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 32895566 QZMWCRPMPGZYAC-UHFFFAOYSA-N 444.469 3.359 5 40 IGBB Cc1c(N(CC(=O)NCc2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 220026278 QORCHSAGEGGYSO-UHFFFAOYSA-N 446.312 3.292 5 40 IGBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222853171 JJTXOAVEQSHSBZ-FQEVSTJZSA-N 427.501 3.478 5 40 IGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409147643 NCNLDYGWTICUQX-UHFFFAOYSA-N 428.430 3.338 5 40 IGBB O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)Nc1nnc(-c2ccccc2)o1 8825876 ZAQYMQNHAYKUMK-UHFFFAOYSA-N 447.201 3.203 5 40 IGBB COc1cccc(-c2noc(C3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)n2)c1 9095361 PYBDTFGGRVRRBR-UHFFFAOYSA-N 444.469 3.222 5 40 IGBB CNS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 24988347 ALDYIQSWGHFNRZ-UHFFFAOYSA-N 431.499 3.112 5 40 IGBB O=C(O)CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225035646 JWYYMOJDHMFYCE-UHFFFAOYSA-N 449.666 3.291 5 40 IGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc21 408532049 NDKNSOVBGXSTBW-IUXPMGMMSA-N 442.428 3.161 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O)c1ccc(Cl)cc1 408661462 XCWQXZMLLYEBLQ-UHFFFAOYSA-N 429.816 3.027 5 40 IGBB CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]1(O)C(F)(F)F 4009103 VBOPKTYHIIMLBP-IOASZLSFSA-N 429.376 3.102 5 40 IGBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)c(OC)c2[N+](=O)[O-])N3)C1 8920771 NWNJBZWPUTZAES-MRXNPFEDSA-N 448.457 3.314 5 40 IGBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224699086 JCQYIRQYJRBBLM-QGZVFWFLSA-N 443.500 3.234 5 40 IGBB CCCCn1c(COc2ccccc2[N+](=O)[O-])nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 21976484 CMLSUVZJLJRHDT-UHFFFAOYSA-N 449.467 3.222 5 40 IGBB O=C1NC2(CCCC2)C(=O)N1CCCNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 32829073 UNTZANIPZFDHKW-UHFFFAOYSA-N 445.354 3.188 5 40 IGBB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 680569421 XVJHCQBZYAYQTH-XMMPIXPASA-N 425.488 3.163 5 40 IGBB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 20789743 CADMMJLJWKRANI-SNVBAGLBSA-N 440.239 3.202 5 40 IGBB COc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 30840528 KCINRYSZUIFVEG-YWEYNIOJSA-N 429.816 3.383 5 40 IGBB Cc1c(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220028000 QNWQMGNMPDLBBA-UHFFFAOYSA-N 445.541 3.151 5 40 IGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408676228 ANJCXGAEQBVSIB-WZBLMQSHSA-N 437.427 3.322 5 40 IGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(CC(=O)c3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408682153 JBYZDOARCHERDW-JJXUHFIVSA-N 447.447 3.032 5 40 IGBB O=C(O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408750335 LPVCSACTMJGTRW-UHFFFAOYSA-N 433.423 3.332 5 40 IGBB COc1ccc([C@@H](CNC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2c[nH]c3ccccc23)cc1 559684365 SBTUFSYUSKFCSX-WIYYLYMNSA-N 435.484 3.064 5 40 IGBB COc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c(OC)c1 13424048 HXMOQLHBIZCYFH-UHFFFAOYSA-N 429.458 3.138 5 40 IGBB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1C 16320022 GCFCJVBRCCORGV-HNNXBMFYSA-N 443.456 3.007 5 40 IGBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 20492481 SVKQOWQSKHPUKP-UHFFFAOYSA-N 447.494 3.338 5 40 IGBB COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 32854578 QKMCHGNJDYTAGT-UHFFFAOYSA-N 429.429 3.008 5 40 IGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(I)cn2)c([N+](=O)[O-])c1 226248850 YMVDOPAMYZCWJQ-UHFFFAOYSA-N 431.102 3.154 5 40 IGBB CCn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(OC)cc1 409168921 NQRQDYIKOUOJRS-UHFFFAOYSA-N 429.458 3.318 5 40 IGBB CCCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 13514164 NSIKVXSDXOLBGN-UHFFFAOYSA-N 445.523 3.257 5 40 IGBB COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 13897196 PXUAZIGZFHLGIC-UHFFFAOYSA-N 434.368 3.498 5 40 IGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cc(C)ccc1C)S(C)(=O)=O 220542216 XPTUQKJXZVNLAD-KRWDZBQOSA-N 435.502 3.404 5 40 IGBB COc1cc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c([N+](=O)[O-])cc1OC 3449738 YARLUQIQJUQISS-HNNXBMFYSA-N 446.456 3.249 5 40 IGBB CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)nn1 15880864 FHDATGCYPBUTBV-UHFFFAOYSA-N 432.845 3.361 5 40 IGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 32640713 KCNITADKTJAPER-PKOBYXMFSA-N 431.539 3.487 5 40 IGBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NCCOc1ccccc1Cc1ccccc1 95481796 YLRPTDJBQQRHBF-UHFFFAOYSA-N 437.477 3.303 5 40 IGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408656164 IOCRSWXVGHUAQL-CYBMUJFWSA-N 431.832 3.091 5 40 IGBB C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 9745457 FVBPBUVRGAINIA-JTQLQIEISA-N 425.417 3.203 5 40 IGBB CCOC(=O)c1cc(C(=O)NC2CCN(Cc3cccc(OC)c3)CC2)cc([N+](=O)[O-])c1 40157500 CAYKIIRKWNHMSJ-UHFFFAOYSA-N 441.484 3.175 5 40 IGBB CC[C@@H](C(=O)Nc1cc(Cl)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222519302 KSVWUFCFCIVFGH-INIZCTEOSA-N 441.893 3.440 5 40 IGBB COc1cc(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225591878 URWIVYQGBXFNEN-OAHLLOKOSA-N 447.463 3.063 5 40 IGBB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2187631 KQVDQCUKLHATLV-UHFFFAOYSA-N 425.357 3.118 5 40 IGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(I)c1 3292546 GNZOARVIYVDYAT-UHFFFAOYSA-N 441.177 3.423 5 40 IGBB CN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(c1ccccc1)c1ccccc1 3334741 GDHCAJCIRSRARL-UHFFFAOYSA-N 429.432 3.439 5 40 IGBB O=C(c1ccccc1)c1ccc(NCCNS(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 12825269 NABMZEFRGZNVSJ-UHFFFAOYSA-N 425.466 3.216 5 40 IGBB Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3Cc3ccccc3)c(=O)n2c1 13464893 NRQWHSYUBXBIFC-UHFFFAOYSA-N 439.475 3.008 5 40 IGBB O=C1[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)NN(Cc3ccccc3)[C@@H]2C(=O)N1c1ccccc1 102871093 BQUOUFFAFFJOTE-BDTNDASRSA-N 428.448 3.215 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 220395237 SEYACIYYNQCSDC-DNVCBOLYSA-N 431.514 3.252 5 40 IGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(Cl)ccc1OC)S(C)(=O)=O 222494244 UHXAKVXNOYQZNA-HNNXBMFYSA-N 441.893 3.440 5 40 IGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OCC)cc1 224609116 CCJUNAOUBIXKNC-UHFFFAOYSA-N 442.877 3.405 5 40 IGBB CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225443739 YMRRLBSRXOGGJL-CYBMUJFWSA-N 434.290 3.063 5 40 IGBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccccc1 408643390 FWBKYOISEGHSFD-UHFFFAOYSA-N 429.388 3.131 5 40 IGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc(C)c3C)CC2=O)cc1[N+](=O)[O-] 408669149 MWYNRMRBZGNIEO-INIZCTEOSA-N 425.441 3.055 5 40 IGBB COCCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409217658 RFLPFESTEINYEX-BOPFTXTBSA-N 445.453 3.044 5 40 IGBB CNc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2=O)cc1[N+](=O)[O-] 105629243 RFQRRZPUEACJFL-STLXZYOISA-N 437.521 3.176 5 40 IGBB COc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408577217 YTSXMZOZTLFUAX-BXFWJSQNSA-N 432.274 3.026 5 40 IGBB COc1ccc(Br)cc1[C@@H]1[C@H](C)N[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408577223 YTSXMZOZTLFUAX-JSECANHTSA-N 432.274 3.026 5 40 IGBB COc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br 16226673 UQXUIDBYAMHKIL-UHFFFAOYSA-N 440.275 3.258 5 40 IGBB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 16692727 OYQSBMWXZAULQE-UHFFFAOYSA-N 441.893 3.215 5 40 IGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(Br)cc1 9124859 KKDCUPFWGCSSCO-UHFFFAOYSA-N 442.291 3.122 5 40 IGBB Cc1cccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1C 22028676 WLAJDMGWVCIMJO-JKSUJKDBSA-N 425.441 3.135 5 40 IGBB Cc1c(NS(=O)(=O)c2ccc(O[C@H](C)C(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] 408597664 VRTPTABIWKTVKB-OAHLLOKOSA-N 435.502 3.244 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)CC1=O 408652939 PGBUYHUXIQAXSK-GOEBONIOSA-N 426.425 3.079 5 40 IGBB CN(C)CCCNS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 9127797 JQYMRNLTCKMSKO-UHFFFAOYSA-N 440.953 3.133 5 40 IGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 49581043 OZOOYIVANYTWRP-AUSIDOKSSA-N 447.491 3.450 5 40 IGBB CCCN(C)C[C@@H]1CCN(c2nc(N3CC[C@H](CN(C)CCC)C3)nc(C)c2[N+](=O)[O-])C1 95446241 KYMUBVHZOIJLJT-VQTJNVASSA-N 447.628 3.029 5 40 IGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 208172509 VJHJIWDANJGVFG-DLBZAZTESA-N 442.471 3.133 5 40 IGBB Cc1c(N(CC(=O)Nc2ccccc2Br)S(C)(=O)=O)cccc1[N+](=O)[O-] 220024889 SMZZZZMWRLQXSK-UHFFFAOYSA-N 442.291 3.070 5 40 IGBB CC[C@H](C(=O)N[C@@H](C)CCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525410 CEPYYHRYDKRLBW-OXJNMPFZSA-N 433.530 3.277 5 40 IGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546566 AVDSDRUZJZQDPB-PBHICJAKSA-N 435.502 3.025 5 40 IGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)(C)C)cc1 223063087 JDLXFUNJSAOYHP-INIZCTEOSA-N 427.501 3.478 5 40 IGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 409338072 CMFOMLWRQSVXHV-UHFFFAOYSA-N 443.485 3.350 5 40 IGBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 9934593 HJASKSVJZHYQBY-UHFFFAOYSA-N 426.473 3.084 5 40 IGBB CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9980965 FARLMDXXHNSOBO-UHFFFAOYSA-N 428.441 3.390 5 40 IGBB O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 12911370 HSVRTCKSXWRZRQ-UHFFFAOYSA-N 437.905 3.353 5 40 IGBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)cc2)c([N+](=O)[O-])c1 15168107 VWTKURZAQWHRID-OAHLLOKOSA-N 434.518 3.252 5 40 IGBB COc1ccc([C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)N2CCCC2)cc1 15329331 KPMKGHIOYJBXKM-FQEVSTJZSA-N 433.530 3.336 5 40 IGBB COc1ccc(Cn2nc(C)c(NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c2C)cc1OC 2729782 FEYVDIOIEPQDAW-UHFFFAOYSA-N 442.476 3.044 5 40 IGBB Cc1nn(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 12976171 LBHZKRRYARYUQN-UHFFFAOYSA-N 447.801 3.177 5 40 IGBB CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)c2cccs2)[C@@]1(O)C(F)(F)F 13305494 OGZZUZJQCUFIAQ-JJRVBVJISA-N 443.403 3.493 5 40 IGBB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 15525004 LSSVJGJCLNPMHJ-UHFFFAOYSA-N 438.513 3.173 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 101141176 QXKXXKPRTRPMRZ-UHFFFAOYSA-N 438.308 3.374 5 40 IGBB CCN(C[C@@H]1CCCO1)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] 106143395 ZXNIDVCDTIZJFR-ULQDDVLXSA-N 425.551 3.267 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCCCC2)cc1 408608590 RMEQCTFJQPKKHH-UHFFFAOYSA-N 447.513 3.485 5 40 IGBB Cc1cc(C)n(CCCn2c(SCn3ccc([N+](=O)[O-])n3)nc3ccccc3c2=O)n1 2733622 JTUFPGMUFSZSCN-UHFFFAOYSA-N 439.501 3.155 5 40 IGBB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)NC1CCCCC1)C2)Nc1cccc([N+](=O)[O-])c1 4908282 JRTIFWIDEILTKD-YQQQUEKLSA-N 429.521 3.161 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 8918652 DOFAJULQEYVWNM-FVESOWDASA-N 433.464 3.176 5 40 IGBB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 20153060 BPDBXKPZKOOYSF-UHFFFAOYSA-N 442.497 3.088 5 40 IGBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1CCC1=CCCCC1 40050067 MXNCXCHJUYUQTK-UHFFFAOYSA-N 426.473 3.047 5 40 IGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1 224734884 CTXHBSBYZRCYHV-UHFFFAOYSA-N 443.275 3.116 5 40 IGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1=O 408641753 MPRFTAOXIUVMJL-OAHLLOKOSA-N 441.440 3.160 5 40 IGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] 409365533 YCARYVKVDXDIQO-RQZCQDPDSA-N 443.393 3.431 5 40 IGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 8918654 DOFAJULQEYVWNM-HZDRLRHHSA-N 433.464 3.176 5 40 IGBB Cc1cc(C(=O)Nc2cccc(-c3ccc(N4CCN(C)CC4)nn3)c2)ccc1[N+](=O)[O-] 10186606 HBHCBEFEKUMREA-UHFFFAOYSA-N 432.484 3.364 5 40 IGBB O=C(c1ccc(F)cc1)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 12429014 XHWOWCBEASDOBM-QGZVFWFLSA-N 446.454 3.426 5 40 IGBB O=[N+]([O-])c1ccc(NCc2ccc(Cn3cccn3)cc2)c(S(=O)(=O)N2CCCC2)c1 12523060 CQBSKBGQCFFTMY-UHFFFAOYSA-N 441.513 3.236 5 40 IGBB CC(=O)N1CCN(c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2[N+](=O)[O-])CC1 12608985 UFWAALOVNLDYAT-UHFFFAOYSA-N 430.892 3.189 5 40 IGBB COc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccc([N+](=O)[O-])cc3OC)S2)cc1 12786561 DNEFEWZIZNSPAY-MRXNPFEDSA-N 430.442 3.051 5 40 IGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 260795979 NVPKQTDLVGHLNN-MRXNPFEDSA-N 433.530 3.195 5 40 IGBB CC[N+](C)(CC)CCNC(=O)Nc1ccc(C)c(NC(=O)NCC[N+](C)(CC)CC)c1 5065265 FDZREOINKPHYQG-UHFFFAOYSA-P 436.645 3.211 5 40 IGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)C1=O 9589215 JAJMLDRLCAMDGC-SFHVURJKSA-N 437.239 3.307 5 40 IGBB CC[C@H](C)NC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 11692085 RKAOYDIYRXCCGW-LBPRGKRZSA-N 445.479 3.423 5 40 IGBB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14728746 VKTURTKULZIPTD-UHFFFAOYSA-N 448.483 3.227 5 40 IGBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NC[C@H]1CCCO1 16045623 VPXDKLKXAXHASZ-MRXNPFEDSA-N 430.461 3.460 5 40 IGBB CCOCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(OC)c(OC)cc21 101035726 LVYYJMYBQMQXCZ-MRCUWXFGSA-N 431.470 3.406 5 40 IGBB C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220407915 ILZVSRKQENDDGA-QGZVFWFLSA-N 445.541 3.231 5 40 IGBB Cc1cccc2c1CCCN2C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 609621413 GVIGLPOZJQCRIU-NRFANRHFSA-N 443.525 3.426 5 40 IGBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1ccccc1C(=O)c1ccccc1 9497797 QEKQCKQHKRFGOM-UHFFFAOYSA-N 428.404 3.174 5 40 IGBB CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 11614676 NNPUHIYISHVTPW-GOSISDBHSA-N 427.844 3.461 5 40 IGBB CC[C@@H](Nc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])[C@H](O)c1c(F)cccc1F 72302498 XVTJPESLWJXOKV-BEFAXECRSA-N 443.472 3.484 5 40 IGBB CC(C)CCN(CCC(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 84510406 ITANFWUKEAHAIW-QFIPXVFZSA-N 432.521 3.283 5 40 IGBB O=C(O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 96601904 KVIAKIIDEWEIAA-UHFFFAOYSA-N 433.423 3.332 5 40 IGBB 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