smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1O 59474403 NKIIOGGGEZOIIM-UHFFFAOYSA-N 398.396 3.386 5 40 GGBB O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 12528993 GLKFZCOMWYADMU-UHFFFAOYSA-N 375.388 3.234 5 40 GGBB Cc1cccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] 12924846 WURQARVMELSTNV-CYBMUJFWSA-N 376.434 3.140 5 40 GGBB CCn1c(SCC(=O)Nc2ncccc2C)nnc1-c1cccc([N+](=O)[O-])c1 409127051 IODMIXGGODIMLS-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c1C 5030329 BINIFBWJUPCSIS-AWEZNQCLSA-N 375.208 3.277 5 40 GGBB Cc1sc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 31009691 VCASSHQYEBAZDT-ZJUUUORDSA-N 394.371 3.359 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)Nc2cc(F)ccc2F)cc1[N+](=O)[O-] 3611402 IPHPMJVJRURUGM-UHFFFAOYSA-N 391.359 3.405 5 40 GGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 6141472 UIGPZRNURICVFF-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB COC(=O)c1cnc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)s1 22319976 QDKJEYKHDVBPFN-UHFFFAOYSA-N 393.424 3.037 5 40 GGBB Cn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1 3506235 PJCOQYUNEIEOEV-UHFFFAOYSA-N 387.396 3.260 5 40 GGBB C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 95978319 WMPNQHVBKRGWHB-GFCCVEGCSA-N 394.391 3.453 5 40 GGBB Cc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)cc1 32101108 BICWMEOHLWZBDF-KRWDZBQOSA-N 393.321 3.404 5 40 GGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)F)cc1 3270313 OFWIQOOZBMCEKB-XCVCLJGOSA-N 392.314 3.391 5 40 GGBB CCOc1ccccc1/C=C/C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 15382063 SWUQBHODRGCSKU-VAWYXSNFSA-N 381.432 3.356 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(F)c2)c1=O 5268851 VWUPUAVTCWQTDY-UHFFFAOYSA-N 397.362 3.205 5 40 GGBB O=c1nc2n(-c3cccc4ccccc34)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 59497781 RKZPWUUCIAOEMO-UHFFFAOYSA-N 384.351 3.240 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc([N+](=O)[O-])c1C 6084639 JRJUZZQHAFEQGQ-UHFFFAOYSA-N 388.376 3.065 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 5012068 MGRDUIVPPBNJLD-UHFFFAOYSA-N 383.385 3.423 5 40 GGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(C(=O)Nc2ccccc2)CC1 8004255 GWNAZDBGESDYNA-UHFFFAOYSA-N 396.447 3.192 5 40 GGBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC=C(c2cccnc2)CC1 96006760 UPPNNETVCCMNKB-UHFFFAOYSA-N 393.852 3.430 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc(-c2cccc(Cl)c2)no1 14674854 UOQRDSSGWHUJOI-UHFFFAOYSA-N 384.735 3.094 5 40 GGBB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cccc([N+](=O)[O-])c1 4315108 OLCUKYIRSDRELH-UHFFFAOYSA-N 379.420 3.289 5 40 GGBB COCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(OC)ccc21 100873172 SDXAJKJZIABZNN-HNENSFHCSA-N 387.417 3.007 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCc2cnn(-c3ccccc3)c2)c1 31537320 CHQQNLYSCVQDHW-UHFFFAOYSA-N 380.404 3.174 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])[nH]1 10475524 LSAGRHHPRLCUTN-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB COc1cccc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2nccn2C)c1 12507639 IREQHSQBGHWIAM-QGZVFWFLSA-N 381.392 3.248 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)c3ccc(OC(F)F)cc3)n2)cc1 58341781 PRJAMHWKXILYLS-OAHLLOKOSA-N 376.319 3.188 5 40 GGBB COC(=O)c1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 4424884 SMAKRLOAWYBMJX-UHFFFAOYSA-N 387.373 3.252 5 40 GGBB C[C@@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc([N+](=O)[O-])ccc1O2 4852825 WLZLCDXJAFUBBI-AUUYWEPGSA-N 383.360 3.136 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 20496171 DWXRCVXSSJJETP-RMKNXTFCSA-N 381.304 3.205 5 40 GGBB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c([N+](=O)[O-])cc1OC 123086550 CERWDYDEYQTRCE-UHFFFAOYSA-N 387.417 3.456 5 40 GGBB COc1cc(C(=O)OCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])cc1OC 24833005 NNOUVIJJJLHWPH-UHFFFAOYSA-N 383.360 3.155 5 40 GGBB COc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 6315010 MGOZGWUFAGVOEV-UHFFFAOYSA-N 392.375 3.226 5 40 GGBB Cc1ccc(NC(=O)[C@H](OC(=O)C2=COCCO2)c2ccccc2)c([N+](=O)[O-])c1 4871194 LOXDTAQNXFPNHI-GOSISDBHSA-N 398.371 3.014 5 40 GGBB CCCC1CCC(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)CC1 1659726090 KJEBXCGVKTZDDK-UHFFFAOYSA-N 399.469 3.410 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 14831575 URDNAIZNDSIZLM-DVQDXYAYSA-N 395.415 3.156 5 40 GGBB COc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(OC)c1OC 5417517 FQFMQYNZTWHORS-AUWJEWJLSA-N 398.371 3.274 5 40 GGBB COc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc1OC 32039733 HOHSDDNOTZXBKU-UHFFFAOYSA-N 396.403 3.070 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCc1cccc2cccnc12 29873569 YMLSVUBNHHALNR-UHFFFAOYSA-N 379.372 3.006 5 40 GGBB CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 24750846 VGCQVOFVCNEEKX-UHFFFAOYSA-N 381.432 3.316 5 40 GGBB Cc1nn(CC(=O)c2ccc(OC(F)F)cc2OC(F)F)c(C)c1[N+](=O)[O-] 3446375 XMJRVHPWHGKPEG-UHFFFAOYSA-N 391.277 3.494 5 40 GGBB O=C(COC(=O)c1ccccc1O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6884505 ZALORODFFSVRFY-UHFFFAOYSA-N 384.266 3.115 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)OCCOc1ccc(F)cc1 7359357 VOGXDEBGIMJSMX-UHFFFAOYSA-N 378.356 3.028 5 40 GGBB O=C(SC[C@@H](NSc1ccccc1[N+](=O)[O-])C(=O)O)c1ccccc1 31719565 FWWNERPAMFOVOH-GFCCVEGCSA-N 378.431 3.218 5 40 GGBB Cc1cc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)no1 48324540 PLCDGNKMCCURPO-UHFFFAOYSA-N 398.341 3.309 5 40 GGBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224138807 JFMHCILHEUIEOA-LJQANCHMSA-N 397.475 3.389 5 40 GGBB Cc1c(NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-] 222497011 OVTPANHAULJTAT-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 5722528 HJNBJRGJCGJFHU-DENIHFKCSA-N 388.379 3.401 5 40 GGBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Br)ccc1O 79020397 GPJXYNHHNNUMBT-UHFFFAOYSA-N 387.211 3.172 5 40 GGBB C[C@H](c1ccccc1)N1CC[C@H](Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 538084136 NMSVNYLSZVFFOE-HIFRSBDPSA-N 379.420 3.491 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 106522613 MHTPAHBOTHMOCV-UONOGXRCSA-N 391.468 3.291 5 40 GGBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1ccccc1[N+](=O)[O-] 4578046 RYYFEHZPJLRGKY-UHFFFAOYSA-N 378.300 3.279 5 40 GGBB O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccco1 4770809 IKDZAFLXXQTVPW-NRFANRHFSA-N 392.367 3.195 5 40 GGBB COc1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])cc1OC 28255115 NSBDPJXFQVERMR-UHFFFAOYSA-N 382.275 3.186 5 40 GGBB COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1OC 45416377 NTJUNNRPFYUKKW-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB CCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225872723 IHWLGWCXAAIUOL-UHFFFAOYSA-N 385.420 3.384 5 40 GGBB COc1cc(OC)c(OC)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 8469647 WDMGJIMSVSXJSH-UHFFFAOYSA-N 395.843 3.476 5 40 GGBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)c(OC)c1 100848891 PAVXUKNZTCTCNJ-QGZVFWFLSA-N 383.404 3.312 5 40 GGBB CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 36811989 LYYJKEPXIPCVLJ-UHFFFAOYSA-N 385.239 3.178 5 40 GGBB COc1ccccc1CN(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12556373 WQSIBPOWNUWZCZ-UHFFFAOYSA-N 383.448 3.478 5 40 GGBB CCC[C@@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2160475 XRHGWOKACIUHQB-MRXNPFEDSA-N 383.400 3.003 5 40 GGBB biogenic Cc1nn(C)c(C)c1C(=O)C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 12741546 JIKAFVRTENXLSF-UHFFFAOYSA-N 390.395 3.223 5 40 GGBB O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2ccc(Br)cc2)c1 4551106 QDMNBXUDTWWQCV-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB Cc1c(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cccc1[N+](=O)[O-] 408628941 YKZDOCIKCLSMJF-UHFFFAOYSA-N 383.385 3.136 5 40 GGBB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 223839080 FVPVZQZFTCTZLL-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)N1CCCC1)c1ccccc1 7079764 YAOPRAXFWRGOIE-GOSISDBHSA-N 384.388 3.124 5 40 GGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7389012 COEWUCYVBQEJCU-FQEVSTJZSA-N 392.371 3.217 5 40 GGBB C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 222656216 DPNIPMTUMMZBIE-ZDUSSCGKSA-N 388.445 3.477 5 40 GGBB COc1cc(N)c(Cl)cc1C(=O)O[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 11456442 OFTYWUPMYLTIGF-SECBINFHSA-N 393.783 3.023 5 40 GGBB CC(=O)c1ccc(OCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 8982363 OHVXGVDVIBCKSX-UHFFFAOYSA-N 376.796 3.488 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 882909 GQSLJZKUTNPZJM-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] 10448528 LFIGDGNGELZARC-MRXNPFEDSA-N 377.828 3.290 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCc1ccccc1 7239053 LWQVIKGBOOHCAH-UHFFFAOYSA-N 375.450 3.034 5 40 GGBB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408756691 UBHOYBLDLPBBIQ-WIRSXHRWSA-N 376.368 3.095 5 40 GGBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1-c1cccc(Cl)c1 40399080 UUWMKYSPVZKITF-UHFFFAOYSA-N 389.802 3.066 5 40 GGBB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225089829 LLFBNJPTZJFCLN-UHFFFAOYSA-N 398.824 3.168 5 40 GGBB O=C(NC1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1 12952814 QSJNKXXNTJQDMW-MDZDMXLPSA-N 379.416 3.029 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6971588 IZXNDYFMPYVDEO-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB O=C(OCc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])o1 8329880 QPSAJIFELQMUSD-UHFFFAOYSA-N 384.138 3.079 5 40 GGBB O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccccc1 1807632 IAVLPWYVLGTNPE-UHFFFAOYSA-N 395.415 3.068 5 40 GGBB CCOc1cc(C(=O)NCCCc2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC 11486394 BOSJDPWDFXPZTD-UHFFFAOYSA-N 398.419 3.241 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 4045583 DWBUWUOCQPUOJC-UHFFFAOYSA-N 379.376 3.378 5 40 GGBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 16196610 ABZIWLPVZPNYTD-GFCCVEGCSA-N 386.429 3.451 5 40 GGBB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20142726 BUKNOFKTPDQYRH-UHFFFAOYSA-N 385.376 3.154 5 40 GGBB O=[N+]([O-])c1cccc(-c2nnc3n2CN(c2ccccc2[N+](=O)[O-])CS3)c1 4235188 QTLDUYHDOGZLOL-UHFFFAOYSA-N 384.377 3.289 5 40 GGBB biogenic O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 101344211 DQEHAXPIEWNUFB-IEBWSBKVSA-N 387.351 3.041 5 40 GGBB COc1ccc2nc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)[nH]c2c1 2620439 RDXOEFDNWQMESF-UHFFFAOYSA-N 376.369 3.350 5 40 GGBB O=C([C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCc2ccccc2C1 54991775 ASGGCBLDECQSFA-FQEVSTJZSA-N 379.460 3.392 5 40 GGBB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C\c1cccc([N+](=O)[O-])c1 7925784 AJAGSUWVSVVHJD-ATVHPVEESA-N 377.356 3.066 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 26780024 FTUWQVHGANISFU-UHFFFAOYSA-N 390.421 3.023 5 40 GGBB O=C(CSc1nc(C2CC2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Br 8924401 RTLRKURZMLWPDN-UHFFFAOYSA-N 398.242 3.084 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NC3=NCCCCC3)s2)cc1 3205971 YBYDSOFTJWTXHB-UHFFFAOYSA-N 380.451 3.269 5 40 GGBB CC(=O)c1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 3514254 IMQNEXZFXIPVTJ-UHFFFAOYSA-N 376.752 3.246 5 40 GGBB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2619423 APNGQUHZAHZVLW-VIFPVBQESA-N 377.813 3.410 5 40 GGBB CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1Cl 4927472 DKCCSMIPTCLVGK-UHFFFAOYSA-N 398.828 3.143 5 40 GGBB Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 84114697 VGNWPLRCPJLGGN-GOSISDBHSA-N 383.452 3.025 5 40 GGBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5657986 VWOATUHOIAJERM-DXCKQFNASA-N 378.425 3.338 5 40 GGBB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7928464 CGEVHBWUNSZLMJ-HNNXBMFYSA-N 381.388 3.097 5 40 GGBB O=[N+]([O-])c1cc(Br)ccc1N1CCN(Cc2ccncc2)CC1 57335855 RAEQISIWIFOZHK-UHFFFAOYSA-N 377.242 3.075 5 40 GGBB O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)c1 26540668 CPXQWSHJGORDOF-JXMROGBWSA-N 397.840 3.065 5 40 GGBB Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1S(=O)(=O)N(C)C 8316119 IDWLHFQSTFESPT-UHFFFAOYSA-N 397.840 3.059 5 40 GGBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(Cl)cc1)[C@@H]1CCCN12 408569790 XUWZNFYVDPGKPM-XFKSJGNHSA-N 383.835 3.395 5 40 GGBB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 28812309 JJIAKCJYCBQHIK-MRXNPFEDSA-N 379.420 3.253 5 40 GGBB COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1Cl 223830568 CQPGXHOXHLHURS-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225073659 GKPOPQBNZCPRTM-LJQANCHMSA-N 397.475 3.471 5 40 GGBB CCOC(=O)c1[nH]c(CNc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 5003115 ZURVQUWTADPASQ-UHFFFAOYSA-N 375.381 3.197 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nc(-c3cccnc3)no2)C1 1363945 PMTLEJWMGNUIPI-AWEZNQCLSA-N 379.376 3.060 5 40 GGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1nc2ccccc2s1 1430656 HJLMJGMLLUUILK-UHFFFAOYSA-N 396.226 3.111 5 40 GGBB Cc1cc(C)n(CCCNC(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 5688481 KGAREYXTITYNCL-UHFFFAOYSA-N 399.373 3.045 5 40 GGBB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 7050244 BUDDJYQOGCSQKD-CQSZACIVSA-N 386.433 3.128 5 40 GGBB COc1ccc([C@@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 95983640 NSHPHDPPDLSCNY-DJJJIMSYSA-N 387.436 3.175 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 7928361 FAVQKXAYTWBWLE-CQSZACIVSA-N 383.404 3.212 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2c(C)cccc2C)CC1=O 7928418 FKWFVOWVCWDVKA-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB COC(=O)COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 55906832 JFUSHHAISFBMEK-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB COc1cc(C(=O)OCCOc2ccc(C)cc2)c([N+](=O)[O-])c(OC)c1OC 25202392 ZCQQUMZBIDMFLE-UHFFFAOYSA-N 391.376 3.165 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cl)c1 6552027 XDIRKDVRIPWBHS-UHFFFAOYSA-N 397.840 3.013 5 40 GGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 85620003 BLVROYLQIOPKNX-KBPBESRZSA-N 378.473 3.221 5 40 GGBB COCCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976821 UFDBSLXLJSAAEV-UHFFFAOYSA-N 383.411 3.256 5 40 GGBB COc1cc(OCC(=O)NCCOc2ccccc2C(C)C)ccc1[N+](=O)[O-] 223798254 FDUFHXODYWXRKX-UHFFFAOYSA-N 388.420 3.301 5 40 GGBB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 1505840750 ZEIFDKDZHIUESW-HKUYNNGSSA-N 379.372 3.023 5 40 GGBB CCOC(=O)C1=C(C)Nc2nc(C(F)(F)F)nn2[C@H]1c1cccc([N+](=O)[O-])c1 8770379 SVPPHCWUCSNZRW-LBPRGKRZSA-N 397.313 3.057 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(CC2CCCC2)n[nH]1 11500382 PKCVGZOHNNRAIP-UHFFFAOYSA-N 375.454 3.485 5 40 GGBB COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 24118446 IVQQRZYWMOUIKR-UHFFFAOYSA-N 389.839 3.215 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 100835627 QNOAGXYROWOBBX-QGZVFWFLSA-N 383.429 3.088 5 40 GGBB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2F)c([N+](=O)[O-])n1 6613549 JUABCJIFLWFHCE-UHFFFAOYSA-N 384.161 3.217 5 40 GGBB COC(=O)c1cc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1 6642023 RVGZCHGNOIPLAB-GFCCVEGCSA-N 397.383 3.298 5 40 GGBB CCCC[C@H](CC)CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224058043 SJFSBJPNVYOOHG-HNNXBMFYSA-N 399.513 3.002 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SCc1ccc([N+](=O)[O-])cc1 68569572 GVDNNUBZLSLTGZ-UHFFFAOYSA-N 393.333 3.490 5 40 GGBB biogenic Nc1nc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C23CC4CC(CC(C4)C2)C3)n1 5888884 BLSQLFSXICMWCJ-UHFFFAOYSA-N 384.396 3.269 5 40 GGBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C)c1=S 36395925 OSUMDYZAIQOMCZ-GFCCVEGCSA-N 382.449 3.330 5 40 GGBB COc1cc(Cl)c(C)cc1Nc1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-] 4922542 IGOIITUNOVUBFB-UHFFFAOYSA-N 389.799 3.436 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C 4977115 OFSIVNHUOWINTO-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB CCc1ccccc1N1C[C@@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 7881980 VRESYRAAOWVYOV-AWEZNQCLSA-N 383.404 3.157 5 40 GGBB CN1CCC(N(C)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 58158895 YVDGYOLJMBOWGS-OAQYLSRUSA-N 396.491 3.092 5 40 GGBB CC[C@H](C)Nc1nc2nc3c(C)cccn3c(=O)c2cc1C(=O)NC1CCCC1 4520324 WRGUAXREFLQEBQ-AWEZNQCLSA-N 393.491 3.434 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(c2ccccc2F)CC1 55595099 UJUWUSJLUSAURX-HNNXBMFYSA-N 386.427 3.192 5 40 GGBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 3301076 GZRRGTQJGDHVCX-UHFFFAOYSA-N 382.416 3.233 5 40 GGBB O=C(O)CC12C[C@H]3C[C@H](C1)CC(n1cc(Br)c([N+](=O)[O-])n1)(C3)C2 100772591 LIFHFMVOSXLOLB-OAAXVMEWSA-N 384.230 3.324 5 40 GGBB COc1ccc(OC)c(Nc2nc(NC3CCCCC3)nc(N)c2[N+](=O)[O-])c1 6274943 FNKWUIBYTDUWQU-UHFFFAOYSA-N 388.428 3.472 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1csc2c1CCCC2 5968867 RHFZLUBTFJTLPH-UHFFFAOYSA-N 390.417 3.339 5 40 GGBB Cc1cccc(C)c1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6640350 LZKCZQJCZXMYMD-OAHLLOKOSA-N 384.436 3.109 5 40 GGBB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 7927983 NTZNZCIZEBVHLJ-CQSZACIVSA-N 383.404 3.294 5 40 GGBB O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 7985475 ZBGRUKWPWMSXIT-UHFFFAOYSA-N 388.855 3.005 5 40 GGBB Cc1nnc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)s1 4311573 KPRZEUOOVFEFSW-UHFFFAOYSA-N 382.357 3.348 5 40 GGBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1ccc(OC)c(OC)c1 4176840 ZCLZGOYLKVOJSX-UHFFFAOYSA-N 380.378 3.103 5 40 GGBB O=C(CCC(=O)c1cccs1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2660431 MYKPIIVYVZSXMQ-UHFFFAOYSA-N 377.374 3.229 5 40 GGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)[C@@H]2C)cc1 8638373 RBQVEHFCUJDVKK-AWEZNQCLSA-N 396.403 3.007 5 40 GGBB CCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1 2165781 XFDVWHHLBJEJRL-APSNUPSMSA-N 383.316 3.246 5 40 GGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 113890015 ADZKYWIPPASKOA-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1cc(CCNC(=O)[C@@H](C)Sc2ccccc2)c([N+](=O)[O-])cc1OC 9388680 JKWHHJVEVDETKH-CYBMUJFWSA-N 390.461 3.452 5 40 GGBB Cc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220399454 BCGLYQDGTCVRLD-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB COc1ccc(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)cc1[N+](=O)[O-] 13985993 WRBZYLHZICCFLI-CQSZACIVSA-N 376.434 3.486 5 40 GGBB Cc1cc(Oc2cnccn2)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 32932319 HSHAEEPBOFSRAY-UHFFFAOYSA-N 386.389 3.286 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 32410303 ULLGVDRNPTXIBB-FZMZJTMJSA-N 380.422 3.141 5 40 GGBB O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12428886 QTEFKPLDRYBVCM-HNNXBMFYSA-N 392.371 3.042 5 40 GGBB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1(C)C 43087527 KIBHSAXZHHGGDH-BBRMVZONSA-N 391.493 3.179 5 40 GGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(C)cc2C)NC(=O)N1 6046493 PNPHHWFWJBRFDZ-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COc1cc(C)c(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 6789496 BVVZPLSEVSRWSJ-SNAWJCMRSA-N 386.360 3.301 5 40 GGBB COCCCNC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 408576821 NNHQLKDADLVNSW-UHFFFAOYSA-N 391.811 3.267 5 40 GGBB COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c(OC)c1 32777297 HKYMOYGXPCZQFG-UHFFFAOYSA-N 389.389 3.484 5 40 GGBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222950410 SOJUWDUOJIWJST-QGZVFWFLSA-N 397.475 3.471 5 40 GGBB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cccc([N+](=O)[O-])c1 19937659 KFLOCBAVCRKBRD-UHFFFAOYSA-N 384.779 3.180 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2cccs2)n[nH]1 9284662 HJGWWQZDYDEOQY-UHFFFAOYSA-N 391.434 3.181 5 40 GGBB CCOc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1[N+](=O)[O-] 31504658 JKXSEUBDXQCGBB-AWEZNQCLSA-N 381.392 3.014 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4138286 TXWKASKPSABVCU-UHFFFAOYSA-N 385.445 3.433 5 40 GGBB O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)c([N+](=O)[O-])c1 16492125 KPUUPPALPFRKTJ-UHFFFAOYSA-N 385.336 3.434 5 40 GGBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 4996686 SKZNFWHTWPYUJN-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB O=C(Nc1ccncc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 24701355 AFQTYHARRIUFAC-UHFFFAOYSA-N 388.811 3.134 5 40 GGBB O=C(/C=C/c1ccco1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 7596482 FVPCXYFYDMNIGH-CMDGGOBGSA-N 380.360 3.442 5 40 GGBB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080048 XLPFBHUHSPWGOQ-LLVKDONJSA-N 381.392 3.252 5 40 GGBB CCOc1cc(C(=O)NCc2ccc(-n3cccn3)cc2)c([N+](=O)[O-])cc1OC 32927958 MECJNKRXJNPHHH-UHFFFAOYSA-N 396.403 3.118 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncc(Br)cn2)CC1 48375078 LPIWRYAUTKPBJX-GFCCVEGCSA-N 392.257 3.031 5 40 GGBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6236926 LFGXYKBXJVWMHB-UHFFFAOYSA-N 399.491 3.378 5 40 GGBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 408536294 VVPQGJJOEQYWFE-UHFFFAOYSA-N 381.392 3.419 5 40 GGBB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 21509881 XYULWILMUWETPE-LBPRGKRZSA-N 398.350 3.104 5 40 GGBB Cn1c(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nnc1C(F)(F)F 31843210 NCEZKMUIIFRUPL-UHFFFAOYSA-N 386.315 3.084 5 40 GGBB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCc1ccc([N+](=O)[O-])cc1 6124344 USRACCOAUJIHFA-UHFFFAOYSA-N 385.372 3.462 5 40 GGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccccc3F)nc12 10010676 OUJDZJXNLWHKQN-UHFFFAOYSA-N 377.353 3.370 5 40 GGBB O=C(C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O)Nc1cccc([N+](=O)[O-])c1 12136852 CQTLFVYNMWBULK-HNNXBMFYSA-N 385.401 3.188 5 40 GGBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCOc1ccccc1 3096126 HRPNHMUBVUMYPZ-UHFFFAOYSA-N 389.458 3.492 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccccc2Cl)CC1=O 408653144 DYOTZFQDHPYHKD-LLVKDONJSA-N 390.779 3.215 5 40 GGBB O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 409236302 DKABBDKDWBZLGW-CPNJWEJPSA-N 388.383 3.478 5 40 GGBB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773768 KNHZZRVWPJLWHX-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB CCOC(=O)COc1ccc([C@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 4894763 ADTBDJGXPNJHIT-LJQANCHMSA-N 385.372 3.388 5 40 GGBB CC(=O)[C@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32946523 CUBVZMPIMBVJFE-NSHDSACASA-N 388.342 3.351 5 40 GGBB Cc1nc(Sc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)oc1C 12777375 FUPIOTCTQCPFRI-UHFFFAOYSA-N 383.451 3.135 5 40 GGBB CN(c1cccnn1)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 95462318 DSAWFZVZSCHUAG-UHFFFAOYSA-N 390.831 3.171 5 40 GGBB COCCNc1ccc(C(=O)N(C)Cc2cc(C)ccc2OC)cc1[N+](=O)[O-] 9918815 UGVDOBZBZQHFLX-UHFFFAOYSA-N 387.436 3.242 5 40 GGBB COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@H]34 253614750 AVRZAJRDJDMMDG-VSECXNEBSA-N 395.523 3.016 5 40 GGBB biogenic,in-vitro COc1ccc(C(=O)Nc2ccccc2I)cc1[N+](=O)[O-] 5514464 DSBWZULIHMUARI-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB Cc1ccc(Cn2ccc(NC(=O)CCCn3nc(C)c([N+](=O)[O-])c3C)n2)cc1 12845952 QACPEWCPIUSLSH-UHFFFAOYSA-N 396.451 3.380 5 40 GGBB O=C(NCc1ccccc1OC(F)(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 27232789 ZSWXHNJSBLOZFS-UHFFFAOYSA-N 398.293 3.195 5 40 GGBB C[C@H](C(=O)N1CCCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16515600 RWZWSMZPCYQXGY-QGZVFWFLSA-N 394.475 3.085 5 40 GGBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 8149693 MQTOIOWOWFKOFO-UHFFFAOYSA-N 391.449 3.000 5 40 GGBB CSc1cccc(NC(=O)COC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c1 4500735 YYSQKCBIHAWWLA-UHFFFAOYSA-N 389.433 3.178 5 40 GGBB O=C1O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)Cc2ccccc21 8769962 FKXQKFMMFJBEAA-AWEZNQCLSA-N 391.177 3.078 5 40 GGBB CN(CCOc1ccc(Cl)cc1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 31653151 FGCBRGINADMXIN-UHFFFAOYSA-N 387.827 3.475 5 40 GGBB COc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 1176945227 GKMJIORSHCNELY-HXUWFJFHSA-N 388.420 3.194 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(OC)c(N2CCCC2=O)c1 40091230 CUMUIHAHVOOTCE-UHFFFAOYSA-N 385.376 3.260 5 40 GGBB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] 2701047 GACBASUTDFWVGC-ZFWWWQNUSA-N 389.433 3.197 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nc(C3CC3)no2)CC1 12544976 COZMWOAPACJIRG-UHFFFAOYSA-N 397.357 3.196 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 4835505 BHJBHDKDIIOYPM-HNNXBMFYSA-N 389.452 3.000 5 40 GGBB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)OCc1ccccc1[N+](=O)[O-] 25114487 BGHIAIJKVDPYPI-UHFFFAOYSA-N 383.187 3.375 5 40 GGBB Cc1ccc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1 15674867 TWYREFYXBAOLBE-MSOLQXFVSA-N 380.404 3.261 5 40 GGBB biogenic,in-vitro O=C(CSc1nnc2ccc(-c3ccco3)nn12)c1cccc([N+](=O)[O-])c1 5168229 CXJYAIOIGAPYSN-UHFFFAOYSA-N 381.373 3.268 5 40 GGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2302838 OPXYGLPHSDWDDK-UHFFFAOYSA-N 385.427 3.320 5 40 GGBB CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(CCc3ccccc3)CC2)c1 53666840 PMRSZXQFESILAY-UHFFFAOYSA-N 385.489 3.317 5 40 GGBB Cc1cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1C1CC1 23291614 KJJQUNDBMVESTF-UHFFFAOYSA-N 386.360 3.116 5 40 GGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Br)o1 13691223 CTJBDTQMAKCBSZ-UHFFFAOYSA-N 396.197 3.039 5 40 GGBB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@H]1c1ccccc1[N+](=O)[O-] 5378122 ULBRSOJYAPSKKI-SFHVURJKSA-N 377.356 3.399 5 40 GGBB CN(c1ccccc1)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl 4709992 WTVUEUUJZYXIIX-UHFFFAOYSA-N 399.859 3.326 5 40 GGBB O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])c3cccnc23)c([N+](=O)[O-])c1 103748455 KGMDEMSWYKBBRM-UHFFFAOYSA-N 398.335 3.483 5 40 GGBB CCOc1cc(Cl)c(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1Cl 19943367 LERZIHBJLFENOK-UHFFFAOYSA-N 380.209 3.042 5 40 GGBB CCCNC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1C 408600877 DAAHNLSMFRBHMK-UHFFFAOYSA-N 391.449 3.152 5 40 GGBB COc1cc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1OC(C)C 216187486 LCMYVSOYIBHWHB-UHFFFAOYSA-N 394.449 3.010 5 40 GGBB COC(=O)c1ccc(Cl)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224787383 HRBAHOFEOWJQCD-UHFFFAOYSA-N 398.824 3.168 5 40 GGBB COc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 225040368 NXKPXBYMPULJJB-UHFFFAOYSA-N 386.813 3.091 5 40 GGBB O=C(/C=C\c1ccc(Cl)cc1)N[C@@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O 5664443 VCMOZQACUJPBAC-HQOGMNCSSA-N 384.779 3.101 5 40 GGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 7881655 DUBXIDAQHXLFLB-GDBMZVCRSA-N 396.399 3.071 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2[N+](=O)[O-])C1 12510640 DMVOOXGHHWIZJY-OAHLLOKOSA-N 386.496 3.188 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12781021 QDFPPOQZQGQZEH-ZDUSSCGKSA-N 392.415 3.084 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4674683 UBVIKUNFVQUFFS-QGZVFWFLSA-N 393.321 3.025 5 40 GGBB CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4865351 PWTLJBQZYZAQFI-UHFFFAOYSA-N 397.840 3.187 5 40 GGBB COc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 218133789 BKELMKSJWACJOA-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB Cc1cc(N[C@H]2CCCN(c3ncccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 48235049 GPSWKLHEXUBJMO-INIZCTEOSA-N 391.435 3.231 5 40 GGBB CC(C)CCNC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC(C)C 3251580 PVFMQZABQWITEX-UHFFFAOYSA-N 375.469 3.303 5 40 GGBB CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2118597 YLGBROPVSMFEAZ-BLVKFPJESA-N 397.427 3.249 5 40 GGBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCCO2 5014340 QWXLCUNJWCEYNO-UHFFFAOYSA-N 379.166 3.381 5 40 GGBB Cn1ccnc1Sc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 6416218 CBJYOJDJLAMKBA-UHFFFAOYSA-N 390.446 3.280 5 40 GGBB NC(=O)c1ccc(Oc2cccc(C(=O)NCc3ccccc3)c2)c([N+](=O)[O-])c1 6788391 PHUJFVJAPFQDRJ-UHFFFAOYSA-N 391.383 3.416 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 7848177 REXILGQKOXOEOY-ZDUSSCGKSA-N 398.419 3.169 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 105394208 XRDDJRLNCPKQEM-UHFFFAOYSA-N 396.699 3.326 5 40 GGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCCC1 7768564 HKHNWULRYLJMRL-UHFFFAOYSA-N 381.435 3.013 5 40 GGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 102095407 ZBXPQXQRXPXXSG-UHFFFAOYSA-N 382.672 3.023 5 40 GGBB Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cccc1[N+](=O)[O-] 3221770 VHGGKWOMGCQIQF-UHFFFAOYSA-N 397.412 3.204 5 40 GGBB CCCCOc1cccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 408627091 JYJAAIXOWATBRA-UHFFFAOYSA-N 388.449 3.405 5 40 GGBB Cc1sc(C(=O)NC2CCN(C(=O)C3CCCCC3)CC2)cc1[N+](=O)[O-] 36390826 YPGUDBNNGSCJOL-UHFFFAOYSA-N 379.482 3.266 5 40 GGBB CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 5785876 HMSYLUJOKFWREY-UHFFFAOYSA-N 398.444 3.446 5 40 GGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 4409403 FJGLFWIJTJXRQM-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1C[C@@H]1CCCO1 2252926 WIBBNLHUCFXTQP-INIZCTEOSA-N 397.438 3.463 5 40 GGBB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408552302 LOQFEBNZDGDICY-ZDUSSCGKSA-N 399.428 3.054 5 40 GGBB COc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)cc(=O)o2)cc(OC)c1OC 4856600 VZYAVFBEKKRSLD-UHFFFAOYSA-N 384.344 3.303 5 40 GGBB O=C1CCCCC[C@@H]1[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 12377261 HPIFBOJEIBTWIA-PGRDOPGGSA-N 394.427 3.479 5 40 GGBB CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 16141580 APCHTEYYRUCIFR-LJQANCHMSA-N 397.431 3.087 5 40 GGBB CCN(CC)CCNC(=O)c1cn2c(ccc3sc4ccccc4c(=O)c32)n1 1645600 NRWZCQQXDMICFD-UHFFFAOYSA-N 394.500 3.134 5 40 GGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409177133 BQDKZOICGHGXOQ-UHFFFAOYSA-N 381.684 3.422 5 40 GGBB Cc1cc(NC(=O)CNc2ccccc2C(=O)NC2CC2)c([N+](=O)[O-])cc1C 10755805 WRLQHLYHGJLDKB-UHFFFAOYSA-N 382.420 3.154 5 40 GGBB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 6465344 XVHYBZZELQJANA-CQSZACIVSA-N 386.404 3.044 5 40 GGBB Cc1ccc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 409323483 PDMRPQSWNIKEAA-XQRVVYSFSA-N 384.304 3.443 5 40 GGBB O=C(NC(=S)Nc1ccccn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408617961 BMZWNOQMVOJMBE-UHFFFAOYSA-N 385.449 3.107 5 40 GGBB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71979889 NNJZHSKOPSZOAP-FBUIMKQZSA-N 382.800 3.080 5 40 GGBB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccc([N+](=O)[O-])cc1 47081062 BNQQJSJFTLFVPK-UHFFFAOYSA-N 376.372 3.172 5 40 GGBB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8416476 YMYFNPYVKLHJBT-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB O=C(CCOc1ccccc1F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2640569 GKZUEJWAJZTFLG-UHFFFAOYSA-N 377.324 3.113 5 40 GGBB CN(C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 12758192 FTZRJYMPGLJJDQ-HXUWFJFHSA-N 389.455 3.167 5 40 GGBB C[C@@H]1CCCN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1 5177831 GMLUCWYOCAXFGZ-LLVKDONJSA-N 376.848 3.469 5 40 GGBB O=C(Cc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 8435991 FKNOEPZJPWSYNQ-UHFFFAOYSA-N 394.250 3.413 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 409392530 QCNSYGNFYWAPOB-UHFFFAOYSA-N 387.377 3.419 5 40 GGBB CC(C)(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)o1 72282479 HAUZOWIQWKJALW-UHFFFAOYSA-N 389.408 3.074 5 40 GGBB COc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2Br)cc1OC 97236753 SYTZPBOOXRDMTP-UHFFFAOYSA-N 395.209 3.305 5 40 GGBB O=[N+]([O-])c1nc(Sc2ncn[nH]2)n(C(c2ccccc2)c2ccccc2)n1 95116166 QKLUPUYOGFEHMX-UHFFFAOYSA-N 379.405 3.093 5 40 GGBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 8307868 NDPOJYOSXYUOEJ-UHFFFAOYSA-N 386.383 3.019 5 40 GGBB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1cccc([N+](=O)[O-])c1 12746343 BEYHXNDJGSIWKS-UHFFFAOYSA-N 384.367 3.093 5 40 GGBB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 8843656 GJZYDTOPQMSFCT-LLVKDONJSA-N 397.339 3.138 5 40 GGBB biogenic COc1c2c(cc3c1[C@@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 4038605 NDEKLSGDZJXAAG-ZACQAIPSSA-N 392.516 3.054 5 40 GGBB O=C([C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1)N1CCc2ccccc2C1 54991773 ASGGCBLDECQSFA-HXUWFJFHSA-N 379.460 3.392 5 40 GGBB Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n(C[C@H]2CCCO2)c1C 12519956 HSANTVYPXYQJQQ-MRXNPFEDSA-N 390.465 3.318 5 40 GGBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc([N+](=O)[O-])ccc1Cl 10666265 FZWFCAXZVYSMMV-UHFFFAOYSA-N 375.720 3.417 5 40 GGBB COc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 8940456 HWKSDGWCCLSNCM-QGZVFWFLSA-N 385.420 3.048 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)OCCCO3)c1C 7325353 KMDJLKSWVBAJBZ-UHFFFAOYSA-N 378.406 3.174 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C(F)(F)F)CCC2(CC1)OCCO2 79015533 LYRUPQPEJDSHHF-UHFFFAOYSA-N 388.342 3.251 5 40 GGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 2468319 FGJRXHBNDUQEDX-UHFFFAOYSA-N 380.429 3.462 5 40 GGBB CC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4981356 LBYGUYYVHIANPP-SFHVURJKSA-N 396.403 3.432 5 40 GGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 6406134 HGUOSEFAIGNJDQ-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB CC[C@H]1CCc2c(sc3ncn4nc(CCn5cc([N+](=O)[O-])cn5)nc4c23)C1 2803763 UZXPPNHCQQWDLA-NSHDSACASA-N 397.464 3.201 5 40 GGBB CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 3431066 QGLNXQMSSGSKTO-VAWYXSNFSA-N 397.431 3.494 5 40 GGBB CC(C)(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)c(Cl)c1 65552618 AQEGXPZBMZRJAX-UHFFFAOYSA-N 384.219 3.115 5 40 GGBB CCc1c(C(=O)Nc2ccc3oc(O)nc3c2)cnn1-c1ccc([N+](=O)[O-])cc1 33015851 BMOCKLOSNPHHNA-UHFFFAOYSA-N 393.359 3.442 5 40 GGBB O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1-c1ccn[nH]1 40399079 HUVAJAKMNJIRFG-UHFFFAOYSA-N 389.802 3.066 5 40 GGBB CCn1c(=O)n(CC)c2c([N+](=O)[O-])c(NCc3ccccc3)c([N+](=O)[O-])cc21 17078653 XPFMCLMAACGDQH-UHFFFAOYSA-N 385.380 3.271 5 40 GGBB Cc1ccc(N2CCN(CCc3nc4cc([N+](=O)[O-])ccc4n3C)CC2)cc1 2328089 HDVCLLJOAKNAMJ-UHFFFAOYSA-N 379.464 3.155 5 40 GGBB CCOc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1C 27746772 HWGLCRLMJSADRL-UHFFFAOYSA-N 398.375 3.369 5 40 GGBB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5071520 LSGXXGLHXNPQHT-APPDUMDISA-N 382.800 3.078 5 40 GGBB CC1=C(C(N)=O)[C@@H](c2ccccc2)NC(SCc2ccc([N+](=O)[O-])cc2)=N1 408993744 XIBYOEAFNBJIMX-QGZVFWFLSA-N 382.445 3.288 5 40 GGBB O=[N+]([O-])c1ccc(-c2nnc3n2CN(c2ccccc2[N+](=O)[O-])CS3)cc1 4235186 YQDJUZZPIJVWST-UHFFFAOYSA-N 384.377 3.289 5 40 GGBB biogenic Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 32307126 ALLLDRQMHMYJMO-UHFFFAOYSA-N 387.461 3.308 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1ccccc1[N+](=O)[O-] 6477601 VDUGKPRNMVRKHG-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB O=C(O)C1CCN(Cc2c(-c3cccs3)nc3ccc([N+](=O)[O-])cn23)CC1 6740887 VWCUZQQRMDKELX-UHFFFAOYSA-N 386.433 3.268 5 40 GGBB C[C@@]12C[C@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc([N+](=O)[O-])ccc1O2 101085007 WLZLCDXJAFUBBI-IFXJQAMLSA-N 383.360 3.136 5 40 GGBB Cc1nccc(-c2cccc(NS(=O)(=O)c3c(C)cccc3[N+](=O)[O-])c2)n1 48355378 RTMPHIVCOVMJRC-UHFFFAOYSA-N 384.417 3.469 5 40 GGBB Cn1ccnc1Sc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 5267664 JTGFGXZOGVTAAY-MRXNPFEDSA-N 381.417 3.334 5 40 GGBB Cc1nn(Cc2c(C(=O)NC3CCCCCC3)noc2C)c(C)c1[N+](=O)[O-] 13961451 QWHJSVKCXFRGJA-UHFFFAOYSA-N 375.429 3.205 5 40 GGBB C[C@@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1cccc([N+](=O)[O-])c1 6506395 IOSWDOGFORSFLG-SNVBAGLBSA-N 382.405 3.238 5 40 GGBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN12 408569783 XUWZNFYVDPGKPM-GNBUJSLZSA-N 383.835 3.395 5 40 GGBB O=[N+]([O-])c1ccc(/C=C\c2cc(N(CCO)CCO)c3ccccc3n2)cc1 5640791 ZTVPIPDNMUSRSU-YVMONPNESA-N 379.416 3.104 5 40 GGBB Cc1ccc2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)[nH]c2c1 4032844 HTNHDGVCWZBACV-UHFFFAOYSA-N 385.807 3.371 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 44901133 FRCHBKCGHRGELG-UHFFFAOYSA-N 398.400 3.043 5 40 GGBB O=C(N[C@@H]1CCO[C@H]1c1ccncc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 600475768 KNRNQIXSLVGINQ-CABCVRRESA-N 381.310 3.269 5 40 GGBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1nonc1-c1ccccc1 15219124 SQHNKYLGMGFSCA-NSHDSACASA-N 385.336 3.432 5 40 GGBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc(F)c([N+](=O)[O-])c1 3231409 VAGCGNKFVBOECH-UHFFFAOYSA-N 397.702 3.091 5 40 GGBB Cc1cccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C)c1 13129313 GQJXCCLTVHXPFI-OAHLLOKOSA-N 389.477 3.022 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2c(cc1Br)OCCO2 8021109 WLVLKYNBYMHMBX-UHFFFAOYSA-N 379.166 3.381 5 40 GGBB O=C(Cc1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4710491 OTNCBXQCCJJNBD-UHFFFAOYSA-N 377.803 3.279 5 40 GGBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2cccc3ccccc23)CC1 18215677 FSDORJNUEAUFJU-UHFFFAOYSA-N 391.427 3.412 5 40 GGBB COC(=O)[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 95449728 ODEZPQKIXDEIDR-SFHVURJKSA-N 380.466 3.368 5 40 GGBB O=C1C[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N2NC=NC2=N1 409376618 BUWGCJSZHGTJCN-HNNXBMFYSA-N 399.794 3.003 5 40 GGBB CN(c1ccccc1)N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 95470750 DJIRPCGUGADSLD-UHFFFAOYSA-N 392.327 3.304 5 40 GGBB Cc1cc(N2CCC(Cc3ccccc3)CC2)nc(-n2cc([N+](=O)[O-])cn2)n1 5251751 JYIFXVPIRRNIRQ-UHFFFAOYSA-N 378.436 3.338 5 40 GGBB CNc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(=O)oc2ccccc12 101094827 UVHSZHOOVPMRGI-UHFFFAOYSA-N 384.348 3.396 5 40 GGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CC(=O)N(c2ccccc2)C1 58008391 AGDOTVYTXOCMAF-KGXGESDWSA-N 385.807 3.183 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COc2ccccc2O1 5688488 XHGJFFSKJWGYRZ-OAHLLOKOSA-N 385.420 3.011 5 40 GGBB O=C(OCC(=O)N1CCCCCCC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 7016886 BFCXVAMHVBEAPY-UHFFFAOYSA-N 375.425 3.119 5 40 GGBB COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 96013507 KLDLQCDEJURPGE-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)c1 44874348 GBLQCWGHSJFVEV-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 7594406 DOSAICSJZQKERQ-UHFFFAOYSA-N 390.808 3.167 5 40 GGBB Cc1ccc(C(=O)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1[N+](=O)[O-] 8830344 JFEBIBXXRVFSDP-UHFFFAOYSA-N 379.416 3.334 5 40 GGBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc(-n2cncn2)cc1 27051874 QWTXWTRNRMGHKA-CHHVJCJISA-N 395.762 3.173 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 3317972 IUCCIDXPZBJQSQ-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@@H]1c1ccccc1 5426887 JYTZUGJSRZWHSI-KRWDZBQOSA-N 396.399 3.151 5 40 GGBB Cc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220399098 PPOQUWXWXNPDBA-CQSZACIVSA-N 391.449 3.005 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(F)cc1Br 14085285 CFHHIHFPXLNLNG-UHFFFAOYSA-N 378.157 3.255 5 40 GGBB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc([N+](=O)[O-])cc1 19958969 ZCXXBHJTAVZDTC-UHFFFAOYSA-N 399.410 3.252 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc2c(cc1Cl)OCCO2 10858978 QDZRPTLQQMWWNY-UHFFFAOYSA-N 377.784 3.378 5 40 GGBB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1467236 YNCXFHXMASIECJ-GOSISDBHSA-N 381.388 3.308 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)c1 4687725 OYLJGQQMCYJHKT-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB COc1ccc(-c2noc(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)cc1 8586876 ZPKAYUOFTCPZCL-UHFFFAOYSA-N 382.376 3.157 5 40 GGBB aggregator CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@@H](C)CC 15009318 RPTSTMJEGACHCP-DJYGCBNOSA-N 375.381 3.130 5 40 GGBB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc([N+](=O)[O-])c2nsnc2c1 95458624 FTCLHVXAOYPWFK-UHFFFAOYSA-N 384.352 3.177 5 40 GGBB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)c1 408534299 UYGNRJRHIHHAFM-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 408617697 BGARORCEDKGKHM-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1 33409599 CYTZBOGGTNQYHK-CLFYSBASSA-N 395.371 3.142 5 40 GGBB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])cc1Cl 27989545 VFHKFYDFIVHBPO-UHFFFAOYSA-N 387.779 3.150 5 40 GGBB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 103028979 UFYIEKJQBYEGCH-CFCCAZDESA-N 387.480 3.376 5 40 GGBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1nnc(C(F)(F)F)s1 3015110 GHINAAZYCWPNPN-UHFFFAOYSA-N 394.290 3.419 5 40 GGBB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2cccc([N+](=O)[O-])c2C)n1 3444407 MAHOFAITXCNCPR-UHFFFAOYSA-N 394.391 3.079 5 40 GGBB O=C(CSc1ncccn1)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 5016968 RSAFHDJPJJUSJY-UHFFFAOYSA-N 387.446 3.163 5 40 GGBB O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 24830860 ONRZRYISGOSUMG-UHFFFAOYSA-N 389.411 3.346 5 40 GGBB O=C(SC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O)c1ccccc1 31719566 FWWNERPAMFOVOH-LBPRGKRZSA-N 378.431 3.218 5 40 GGBB Nc1ccccc1[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5589886 DNWUPABNMFWQBI-LJQANCHMSA-N 383.429 3.245 5 40 GGBB O=C(Cn1cnc2sccc2c1=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 31640966 JPPQCJKKIGONMH-UHFFFAOYSA-N 398.322 3.024 5 40 GGBB CC(C)[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 5405616 ZCBLMBUZCIUGJQ-FQEVSTJZSA-N 386.404 3.258 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 6897776 NQEKHFZXPGWAEZ-UHFFFAOYSA-N 392.311 3.303 5 40 GGBB O=[N+]([O-])c1ccc(Oc2ccccc2C(=S)N2CCOCC2)c([N+](=O)[O-])c1 408724450 KNQFHZGLQWDBOQ-UHFFFAOYSA-N 389.389 3.303 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 408640292 IPMIAVJRIUSHBN-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCN(CC2CCCCC2)CC1 48308706 GWDQWRPBBNNQRN-UHFFFAOYSA-N 395.525 3.180 5 40 GGBB COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 822628 OAULGTXNAGNOJD-RIYZIHGNSA-N 386.747 3.379 5 40 GGBB O=C(OCc1ncc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1NCCO 6533004 VJXBPGRFBAQDSS-UHFFFAOYSA-N 383.360 3.011 5 40 GGBB COc1cc(OCC(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 66013310 RUMFPOQVYXDPPU-UHFFFAOYSA-N 384.432 3.464 5 40 GGBB Cc1nnc2sc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn12 20609587 VNCWVUGEZICEPL-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1 608926432 FCXMZMKBMKIGCS-UHFFFAOYSA-N 386.433 3.452 5 40 GGBB CCc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 5397847 GZTKODVYTVFPEO-UHFFFAOYSA-N 396.378 3.159 5 40 GGBB Cc1cc(C)n2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nc2n1 4523400 MQMHMWYMGYOQHU-UHFFFAOYSA-N 392.828 3.034 5 40 GGBB O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCCC3 1465706 UBXWXQRFVXISPY-UHFFFAOYSA-N 392.484 3.173 5 40 GGBB Cc1cc2oc(=O)cc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)c2cc1Cl 3350401 QVDXBQLACVBXOI-UHFFFAOYSA-N 398.758 3.459 5 40 GGBB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113873076 ANIMCAHPGVBWLZ-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1cc(-c2nnc(COc3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 5216438 ZGZXNHLZPHVYQD-UHFFFAOYSA-N 387.348 3.250 5 40 GGBB O=C1[C@@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc2ccccc2c1 103537920 PYDDQXICUXKDFK-IEBWSBKVSA-N 387.351 3.041 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 4574893 BLZXSFIMHUBKAL-UHFFFAOYSA-N 399.281 3.412 5 40 GGBB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 8929535 FFMGZZLZIWRZOM-UHFFFAOYSA-N 384.388 3.356 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)ccc1O 12521424 SJMXEQOIFXNDJL-UHFFFAOYSA-N 378.406 3.423 5 40 GGBB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccccc1[N+](=O)[O-] 12994549 NFPQKKFLVJQAPV-UHFFFAOYSA-N 394.431 3.435 5 40 GGBB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 408624616 VGYXTSHNTGUKLL-UHFFFAOYSA-N 397.416 3.388 5 40 GGBB COc1ccc(OC)c(Nc2nc(Nc3ccccc3)nc(N)c2[N+](=O)[O-])c1 5101081 QLTVTHAJPUPNPI-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 408585766 ICPWXUAORZCCCH-UHFFFAOYSA-N 394.177 3.406 5 40 GGBB Cc1cccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc([N+](=O)[O-])cc3)CC2)c1 72328745 GTYXAPDWANOSOO-UHFFFAOYSA-N 391.431 3.256 5 40 GGBB CN1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccc(F)cc21 72305271 KUBHXSFLOIYSMD-UHFFFAOYSA-N 378.791 3.282 5 40 GGBB Cn1c(=O)nc2n(-c3ccc(N4CCCCC4)cc3)c3ccccc3cc-2c1=O 41077925 MIVQFWUHIJERGF-UHFFFAOYSA-N 386.455 3.180 5 40 GGBB COC(=O)c1ccc(C(=O)OCCCc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 13042829 TVQCDJPCZHZXLV-UHFFFAOYSA-N 383.360 3.047 5 40 GGBB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3[N+](=O)[O-])nn1C)C2 32102821 CDHSNDLZBOTRKE-UHFFFAOYSA-N 394.387 3.169 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 1279972 XRSXIEBGBFSOTH-JKSUJKDBSA-N 390.500 3.262 5 40 GGBB biogenic O=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 10152179 PLZLBXAYUHJODI-OAHLLOKOSA-N 385.401 3.188 5 40 GGBB COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4ccccc4c(=O)n3c2)c1 14093446 ZACBNABKWWBLQC-UHFFFAOYSA-N 380.787 3.446 5 40 GGBB O=C1N[C@@]2(CS1)Oc1ccc([N+](=O)[O-])cc1[C@H]1CC(c3ccccc3)=NN12 4540133 KYHORIBEIFAIAF-CRAIPNDOSA-N 382.401 3.249 5 40 GGBB O=C([C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCOCC1 5506506 AJENRFJFQCIBQZ-KRWDZBQOSA-N 376.796 3.227 5 40 GGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cccc2nsnc12 19078172 BYMURCNFWHGFBF-UHFFFAOYSA-N 392.780 3.048 5 40 GGBB CC[C@@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F 72304154 STIZQJKPICXYHT-PBHICJAKSA-N 382.413 3.062 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1F)N1CCOCC1 95402669 BHNBDMNNBNDQGD-KRWDZBQOSA-N 393.802 3.399 5 40 GGBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 36664696 HKWACBMZPFWOTJ-UHFFFAOYSA-N 386.389 3.288 5 40 GGBB CC1CCN(Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)CC1 12876959 NQSWKKGRGCBKDN-UHFFFAOYSA-N 390.465 3.301 5 40 GGBB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 408705714 LVKXCHFVJVGLSU-UHFFFAOYSA-N 397.840 3.286 5 40 GGBB Cc1csc(Sc2ccc(C(=O)NC[C@H]3CCCO3)cc2[N+](=O)[O-])n1 13130759 PXUDCXGZMSJKOU-GFCCVEGCSA-N 379.463 3.420 5 40 GGBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4088200 VPZRQQPFEHACCS-UHFFFAOYSA-N 386.433 3.460 5 40 GGBB COc1ccccc1Nc1nc(NCCc2ccccc2)nc(N)c1[N+](=O)[O-] 4306386 WGCLCYVJUSRWKI-UHFFFAOYSA-N 380.408 3.374 5 40 GGBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(OCCOc3ccccc3)cc2)nc1O 409339327 HIBPDHIETFJYAE-FLIBITNWSA-N 395.371 3.424 5 40 GGBB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220399305 FILNIXJCYHSXLL-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583499 CLSUSEGFNWDTLV-UHFFFAOYSA-N 386.408 3.306 5 40 GGBB COc1ccc([C@@H]2C=C(c3ccc([N+](=O)[O-])cc3)Nc3ncnn32)cc1OC 100968112 QMBSBCLJJDIACE-INIZCTEOSA-N 379.376 3.260 5 40 GGBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCOCC1 25514807 USPWFJXZYJSGPH-DNVCBOLYSA-N 384.436 3.178 5 40 GGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3514115 VDPWCINIHBQSHK-VIFPVBQESA-N 392.751 3.161 5 40 GGBB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6948542 XIOKQVQVZWBGLB-HNNXBMFYSA-N 380.356 3.425 5 40 GGBB Cc1cc(=O)c(C(=O)N[C@H](C)c2cccs2)nn1-c1ccccc1[N+](=O)[O-] 17842380 MGJLLTJJKRVUNK-GFCCVEGCSA-N 384.417 3.002 5 40 GGBB O=C(OCc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889698 DAYLITBAACFKBY-UHFFFAOYSA-N 399.428 3.398 5 40 GGBB COc1ccc(S(=O)(=O)N2CCCc3cc(C)cc(F)c32)cc1[N+](=O)[O-] 32626697 RBCDHZKNYNWNNI-UHFFFAOYSA-N 380.397 3.192 5 40 GGBB CC(C)OC(=O)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 14376119 GJBRGZRRKCKTQJ-QGZVFWFLSA-N 388.395 3.476 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCC(C)C 14400843 QPNBTEFWEZUJST-UHFFFAOYSA-N 391.449 3.090 5 40 GGBB CCC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6386270 QCWAPYFUDXFPLJ-IZZDOVSWSA-N 398.444 3.470 5 40 GGBB CC(=O)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7929531 IMKWXYVRWHQWMH-OAHLLOKOSA-N 382.372 3.064 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])OCc1cc(=O)oc2cc3c(cc12)CCC3 6889573 DBVGYVXBIMYYEI-UHFFFAOYSA-N 395.367 3.312 5 40 GGBB C[C@H](SC1=NCCS1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 9404365 IFCCUDPCSGDRIN-QMMMGPOBSA-N 395.491 3.276 5 40 GGBB CC(C)c1ccc(C(=O)N2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 29525840 AKBHFHUKWDRZPW-UHFFFAOYSA-N 399.476 3.390 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408642965 QAYVGUUGAWICLQ-CQSZACIVSA-N 383.404 3.212 5 40 GGBB C[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220399892 VDUBRLMGDLKTFV-NSHDSACASA-N 397.840 3.041 5 40 GGBB CCCNc1nnc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 17886041 ZDQQVSPFSODHSM-SECBINFHSA-N 397.482 3.396 5 40 GGBB Cc1cc(C(=O)Nc2ncc(I)cc2C)ccc1[N+](=O)[O-] 6572456 ZJJBQXPETOQIEK-UHFFFAOYSA-N 397.172 3.464 5 40 GGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NS(C)(=O)=O)cc1 32926608 MNBVGYTUEIVCEA-JTQLQIEISA-N 397.840 3.111 5 40 GGBB COc1cccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 12565457 UHMMECOHHBTKTO-UHFFFAOYSA-N 383.448 3.478 5 40 GGBB Cc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1 408714360 PDMLZZPIULZYBQ-UHFFFAOYSA-N 397.347 3.134 5 40 GGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 4120556 RURGMZRRPIPXTP-UHFFFAOYSA-N 396.447 3.296 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C 5673922 KMOACSBVYIUFDG-GFCCVEGCSA-N 388.376 3.145 5 40 GGBB COc1cccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@H]2C)c1 89939357 IRBHVXHYXLKYIJ-SIFUEBAJSA-N 381.432 3.354 5 40 GGBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)NCCc1ccc(F)cc1 32777293 WIAVJIGIOCUSFR-UHFFFAOYSA-N 375.381 3.326 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 224905625 ORHFHIBCIXCEPO-UHFFFAOYSA-N 397.840 3.422 5 40 GGBB COc1ccc(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 2974594 WZPQXUVEFXGPQL-OAQYLSRUSA-N 382.440 3.254 5 40 GGBB CC(=O)Oc1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 829497 OLNLUYUTPMOILY-UHFFFAOYSA-N 376.324 3.474 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(NCCc2csc(C)n2)c([N+](=O)[O-])c1 95348783 JIMHYGGMJTVQJX-UHFFFAOYSA-N 398.510 3.045 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 226694342 YIFWIYGNJAJPNK-NTKGCBCNSA-N 377.194 3.059 5 40 GGBB COC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2s1 223251243 PCYWFUFYZXMMAG-UHFFFAOYSA-N 392.414 3.397 5 40 GGBB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 7363459 DTSJKRPARUZYCE-UHFFFAOYSA-N 391.449 3.234 5 40 GGBB COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 822629 OAULGTXNAGNOJD-ZSOIEALJSA-N 386.747 3.379 5 40 GGBB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3229653 KHILZKZJGRIABN-UHFFFAOYSA-N 376.752 3.246 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 4616826 BXUSITOYAPIQAH-MRXNPFEDSA-N 379.294 3.096 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1 6233206 APXMIAKSQTZZRH-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB C[C@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2 102622449 HJRAEQKPMOWDLT-VGWMRTNUSA-N 384.436 3.382 5 40 GGBB C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N1CCc1c2[nH]c2ccccc12 9359155 LHHKVCMLXKQVKK-HXUWFJFHSA-N 376.372 3.316 5 40 GGBB biogenic Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2C)cc1 8637967 PHTNQFZWSBRVIG-AWEZNQCLSA-N 396.403 3.007 5 40 GGBB O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(Cl)cc1 5067261 UVUQKZDKQFBQER-SFHVURJKSA-N 385.763 3.075 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccccc1Br 5745178 CWYUVQANPDJPHF-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB COc1cc(C2=N/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 96635108 CTCXEEOZFMDZGU-VGOFMYFVSA-N 398.371 3.274 5 40 GGBB CSc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408566855 PNRLTRDFEJRDKO-PXCRPINLSA-N 395.484 3.463 5 40 GGBB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 4807334 LWAWJQANVCPXDU-UHFFFAOYSA-N 392.795 3.426 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 7928449 ONVHHOQKUROLNA-CQSZACIVSA-N 383.404 3.212 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 8168541 BWIOSLSORXUJAL-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 8413001 DWASCOIXCBBOFF-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB Cc1c([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)nn1C 2731850 ZXSZPAWXCCWFQY-UHFFFAOYSA-N 396.436 3.144 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)c1cc(C)ccc1O)[N+](C)(C)CC3)OCO2 1280396 HBZBNXBPBQIULP-MRXNPFEDSA-O 384.452 3.385 5 40 GGBB biogenic O=C(NC(=S)Nc1ncccc1O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408620494 JRBCHRAVXJIEBU-UHFFFAOYSA-N 384.373 3.082 5 40 GGBB CN(CC(=O)NCC(F)(F)F)C(=O)c1cc2ccccc2c2cccnc12 83857561 DOEWEVODYPEKOS-UHFFFAOYSA-N 375.350 3.139 5 40 GGBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCC 33712218 BMOQTVWONCFEMK-WAYWQWQTSA-N 381.772 3.005 5 40 GGBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225700767 IDCUMBJICSKLLT-LJQANCHMSA-N 397.475 3.469 5 40 GGBB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224096017 GQCIKWJEFMGYHB-SFHVURJKSA-N 383.448 3.081 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 12177236 MBMFRYKUKBQGDF-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB C[C@@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1Cl 15798870 QCUPUXVZKXWJAI-ANYFNZRUSA-N 375.768 3.227 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)/C=C/c1cccc(Cl)c1 59579078 KEBPHPAQLORCCX-VMPITWQZSA-N 380.809 3.075 5 40 GGBB CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1CCc1ccccc1 2340975 CQFOGBIGBSCCIN-UHFFFAOYSA-N 376.412 3.317 5 40 GGBB Cc1ccccc1CSC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2711512 AJUXDUDCRQUUBY-UHFFFAOYSA-N 391.474 3.197 5 40 GGBB CC(=O)c1cccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1 10187942 LWGDRGSGQQNCGD-UHFFFAOYSA-N 391.383 3.260 5 40 GGBB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 10543989 WEEUNCMCQQEFBM-ZDUSSCGKSA-N 394.449 3.432 5 40 GGBB CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccccc4[N+](=O)[O-])nn23)c1C 6634572 QPLJMHJLJPIENR-UHFFFAOYSA-N 391.391 3.082 5 40 GGBB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1cccc([N+](=O)[O-])c1 3237686 SATDLQFVZRJRQB-FNORWQNLSA-N 395.165 3.145 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCOc1ccc(F)cc1 30130282 URDDJFNCTIJTRE-UHFFFAOYSA-N 390.414 3.489 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 39404084 HRJZXWSRSLKIEV-UHFFFAOYSA-N 392.327 3.385 5 40 GGBB O=[N+]([O-])c1ccc([C@@H]2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1 1635786 XZZKFXGPAMRYOJ-CYBMUJFWSA-N 390.204 3.406 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155488 SZQUKSDPJDSYML-MKXGPGLRSA-N 394.383 3.362 5 40 GGBB Cc1c(C(=O)OCC(=O)Nc2ccccc2Br)cccc1[N+](=O)[O-] 3240917 USISONBGCXPTSO-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB Cc1c(NC(=O)CN2CCC(C(=O)Nc3ccccc3)CC2)cccc1[N+](=O)[O-] 12876479 ZIVQDMKJDJGTNS-UHFFFAOYSA-N 396.447 3.192 5 40 GGBB Cc1cccc(OCCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 6547309 DYBKYUVPJAUOLX-UHFFFAOYSA-N 383.448 3.411 5 40 GGBB COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] 95989258 KGNNIMXOYCIOAX-STQMWFEESA-N 393.440 3.073 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3c(F)cccc3s2)CC1 5182018 DHBPQLPDNUPQOY-UHFFFAOYSA-N 386.408 3.306 5 40 GGBB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccccc1[N+](=O)[O-] 2701049 GACBASUTDFWVGC-HIFRSBDPSA-N 389.433 3.197 5 40 GGBB COc1cc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c([N+](=O)[O-])cc1OC 12216943 MPHPQVYCUQXPHI-UHFFFAOYSA-N 385.376 3.213 5 40 GGBB CC(C)Cn1c(CCC(N)=O)nnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 8255974 PZXILGUBHAWNNA-LBPRGKRZSA-N 377.470 3.114 5 40 GGBB O=[N+]([O-])c1cccc(-c2nc3c4cnn(-c5ccc(F)cc5)c4ncn3n2)c1 5158575 YYJUQZGXTYVKFD-UHFFFAOYSA-N 375.323 3.178 5 40 GGBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC=C(c2cccnc2)CC1 95469243 RNZMGHFMLLFXLS-UHFFFAOYSA-N 379.825 3.121 5 40 GGBB CCc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 5054694 YQOFATMKMGSSMY-UHFFFAOYSA-N 393.399 3.200 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 845690 WSVQMTYWBXWQKN-KRWDZBQOSA-N 382.445 3.335 5 40 GGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 24809014 DKVMYJHSEFQLAI-UHFFFAOYSA-N 386.355 3.033 5 40 GGBB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 55840951 XFTNUJMHEJAUKR-UHFFFAOYSA-N 377.784 3.211 5 40 GGBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@@H](c2nc3ccccc3o2)C1 48287878 ZUULCQXJNUKYGL-CYBMUJFWSA-N 394.387 3.481 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 3770717 GMCWMAQABOSROP-UHFFFAOYSA-N 388.430 3.340 5 40 GGBB Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 408625841 FVOVTZOBVBDDQG-UHFFFAOYSA-N 385.449 3.025 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CCN(c3ccc(F)cc3)CC2)c1 40092753 BODIGXXEGSSUIQ-UHFFFAOYSA-N 387.411 3.160 5 40 GGBB CC(=O)Nc1cccc(-n2nnnc2SCc2cccc([N+](=O)[O-])c2C)c1 40127899 VAHFRJMOAZZUCO-UHFFFAOYSA-N 384.421 3.130 5 40 GGBB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224138854 JFMHCILHEUIEOA-IBGZPJMESA-N 397.475 3.389 5 40 GGBB COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@@H]34 253614749 AVRZAJRDJDMMDG-OMTSNREKSA-N 395.523 3.016 5 40 GGBB biogenic,in-vitro COC(=O)c1ccc(OCc2ccc(OCC(F)(F)F)nc2)c([N+](=O)[O-])c1 83895723 KFJMTTOYMSJVOD-UHFFFAOYSA-N 386.282 3.297 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C31CC1 100184355 FFAHMWNZQNAWQE-TXFQPVFDSA-N 389.205 3.059 5 40 GGBB COc1ccc(Br)cc1CN(C)Cn1nc(C)c([N+](=O)[O-])c1C 56696153 OYKAHDNNBBTWNT-UHFFFAOYSA-N 383.246 3.269 5 40 GGBB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1 12944251 FWXABQAQQKKSKE-UHFFFAOYSA-N 397.412 3.383 5 40 GGBB COc1ccccc1[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C 8019920 BVLAZOKHBWEBOX-IBGZPJMESA-N 398.463 3.210 5 40 GGBB CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)O)cc1 854215 FFYWPJOLJWMFKQ-WOJGMQOQSA-N 384.388 3.485 5 40 GGBB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 13612451 RNCBRMHREJPENH-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc(F)cc3)n2)c1 15674843 NEILBEDLBZBQLM-SJORKVTESA-N 384.367 3.092 5 40 GGBB biogenic,in-vitro O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2CC1 100185316 YIFWIYGNJAJPNK-WBRVRECLSA-N 377.194 3.059 5 40 GGBB O=C(Nc1ccnn1CCc1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 58225659 GCIIHJWFOJIHDY-UHFFFAOYSA-N 376.376 3.163 5 40 GGBB CN(C)C(=O)c1ccc(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 5508920 XOCCQENLUPWCKA-UHFFFAOYSA-N 389.367 3.250 5 40 GGBB Cc1cccc(CN2CCC(NC(=O)COc3cccc([N+](=O)[O-])c3)CC2)c1 48356218 VQYCHIZKSGJMPY-UHFFFAOYSA-N 383.448 3.063 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5753728 RHDKZPQBKNINBA-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2cccc(C)c2C)cc1[N+](=O)[O-] 20528489 XFACJADKNBFSOV-UHFFFAOYSA-N 375.337 3.146 5 40 GGBB COC(=O)c1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)cc([N+](=O)[O-])c1 3295946 SUHSBSLBQOQSEH-UHFFFAOYSA-N 396.355 3.211 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(CCOc3ccccc3)CC2)c2ccncc12 57503412 CHOBJUPTRLUVKC-UHFFFAOYSA-N 378.432 3.344 5 40 GGBB O=C(NC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1 24694658 ROLXTVDFEYUZRI-UHFFFAOYSA-N 386.383 3.160 5 40 GGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl 6613964 HOWHBJKURQLNQP-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 6906626 WJHMOLRRFVCPMG-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB CC(=O)c1ccc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 32776837 FHDOEFIZXDTKPD-UHFFFAOYSA-N 385.395 3.289 5 40 GGBB COc1ccc(NC(=O)CN2CCCc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 26725578 SZGWPGKQZAJEHS-UHFFFAOYSA-N 377.347 3.273 5 40 GGBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(Cl)cc1 3234750 FJXBXODASBCTAO-UHFFFAOYSA-N 383.187 3.375 5 40 GGBB COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 12627226 TUINRDJJHPSNIK-QGZVFWFLSA-N 394.387 3.235 5 40 GGBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)c1 13002556 PXUWASWYXDEZKZ-SFHVURJKSA-N 386.404 3.355 5 40 GGBB CN1C(=O)c2cccc3c(-c4ccc(C(=O)O)cc4)c([N+](=O)[O-])cc(c23)C1=O 409000270 YETLGLIHPTXJCZ-UHFFFAOYSA-N 376.324 3.339 5 40 GGBB CCOc1ccccc1CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 13673978 XEWNJQLYRFEAOE-UHFFFAOYSA-N 378.450 3.213 5 40 GGBB O=C(CN1CCN(c2ccccc2F)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 58159440 FLOGNQRXQQWVIG-UHFFFAOYSA-N 392.818 3.148 5 40 GGBB Cn1c(=O)nc2n(-c3cccc4ccccc34)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497867 CZEMIKOKNUCKTN-UHFFFAOYSA-N 398.378 3.251 5 40 GGBB CCOc1ccc(CN(C)CC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 6155644 BQDARVMMLHFSHL-UHFFFAOYSA-N 387.436 3.381 5 40 GGBB COc1cc(C(=O)Nc2cnc(Cl)c(C)c2)c([N+](=O)[O-])c(OC)c1OC 79015484 YJTLXBOKXYXTKH-UHFFFAOYSA-N 381.772 3.230 5 40 GGBB CCCCOc1ccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 21866486 GZAQLQJPOPZNQH-QGZVFWFLSA-N 388.420 3.246 5 40 GGBB COc1ccc(CN(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])cc1F 48310168 CGCIZIHDKURBLI-UHFFFAOYSA-N 398.394 3.343 5 40 GGBB O=C(c1ccccc1)c1ccc(N2CCC(C3OCCO3)CC2)c([N+](=O)[O-])c1 69276478 CQCDKARHMKSCOG-UHFFFAOYSA-N 382.416 3.415 5 40 GGBB COc1ccc(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c(OC)c1 9156282 XGSJFPWDKMYKFY-ZZXKWVIFSA-N 386.360 3.130 5 40 GGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(CC(F)(F)F)c1ccc(Cl)cc1 9685753 QOFPMYBOMOEIHM-UHFFFAOYSA-N 389.717 3.005 5 40 GGBB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 95454070 OVXUYJWLCZMJKU-QAPCUYQASA-N 387.823 3.258 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2ccccc2CN(C)C(C)=O)cc([N+](=O)[O-])c1 32043354 LKQMGIBRQSYTMG-UHFFFAOYSA-N 399.403 3.002 5 40 GGBB COc1ccccc1-n1nnnc1SCCCOc1ccc([N+](=O)[O-])cc1 48356673 MZEIEUNUXAWGOO-UHFFFAOYSA-N 387.421 3.140 5 40 GGBB CCn1c(=O)sc2cc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc21 225098546 DQESTEQUAMXQGQ-UHFFFAOYSA-N 393.446 3.100 5 40 GGBB CCC[C@H]1[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2ON1c1ccccc1 18068060 SRVKUUHUJMQTIZ-KSZLIROESA-N 381.388 3.073 5 40 GGBB CN(C)c1ccc(NCCc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100047881 VABYGBZEJTYCSU-UHFFFAOYSA-N 375.341 3.132 5 40 GGBB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 4904940 IRKKDUFJKKMVAP-UHFFFAOYSA-N 387.395 3.417 5 40 GGBB C[C@H]1CN(Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@H](C)O1 40082231 QPMAWVMMZXUPIE-HOTGVXAUSA-N 395.459 3.407 5 40 GGBB COc1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 2498210 RKYJPVNJOYVIKT-UHFFFAOYSA-N 383.261 3.404 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1 24889616 RAIVGRMHXFDJCC-UHFFFAOYSA-N 389.330 3.253 5 40 GGBB CN(C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccco1 12758188 FTZRJYMPGLJJDQ-FQEVSTJZSA-N 389.455 3.167 5 40 GGBB CN(Cc1ccc(F)cc1F)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] 58413008 SLTBPUSACMXQJZ-UHFFFAOYSA-N 386.358 3.474 5 40 GGBB CCc1ccccc1NC(=O)CN1CCN(c2sc([N+](=O)[O-])cc2C)CC1 48300248 DQXSUGROEOGTMM-UHFFFAOYSA-N 388.493 3.288 5 40 GGBB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6052555 VZMIPFQRPINVTB-GOSISDBHSA-N 396.403 3.260 5 40 GGBB O=[N+]([O-])c1ccc(-n2cc(I)c(C(F)F)n2)c(F)c1 685936603 KGGWEDFVXXNYFJ-UHFFFAOYSA-N 383.067 3.462 5 40 GGBB CC(C)COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 14030386 FWELERWXJCUERW-UHFFFAOYSA-N 389.433 3.462 5 40 GGBB COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1[N+](=O)[O-] 24954504 TZZKFLILJAMJMD-UHFFFAOYSA-N 384.360 3.023 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1N1CCOCC1 7498645 FFDHSLNGECULMQ-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB CC(C)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 25536652 OOBWPGMKZXACHC-OAQYLSRUSA-N 381.476 3.336 5 40 GGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95958465 MMTRIKDCJRPHRC-STQMWFEESA-N 395.431 3.499 5 40 GGBB COc1ccc(OC)c(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1 9156281 CYOOCUOVGFVGBK-ZZXKWVIFSA-N 386.360 3.130 5 40 GGBB CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 103042052 DOCINWIVBBZBDP-HHHXNRCGSA-N 395.349 3.480 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)ccc1O 12525884 QQFXLITZGSWLHJ-UHFFFAOYSA-N 392.311 3.042 5 40 GGBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(F)c(F)c1 10320970 NXZMFYNYENPAGR-VIFPVBQESA-N 393.298 3.072 5 40 GGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cccn2)cc1 16302168 MPGHKNQOLAWFMV-UHFFFAOYSA-N 382.445 3.248 5 40 GGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6614798 IVDHFKOIKWKEDR-UHFFFAOYSA-N 377.736 3.213 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 8168599 DLESGZXAHAEZEN-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 43069401 MXJKPZZTUGTLJN-AWEZNQCLSA-N 383.379 3.066 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1F 3270435 KUBHBCHNIJWZKJ-VIFPVBQESA-N 380.303 3.066 5 40 GGBB CCCCN1C(=S)N/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)C1=S 69433914 STRSLXCOJSGPNA-YRNVUSSQSA-N 379.463 3.025 5 40 GGBB COc1ccc([N+](=O)[O-])cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 408931584 NNDIDRCSAKIZBA-DHDCSXOGSA-N 387.779 3.350 5 40 GGBB CN(Cc1ccccc1N1CCCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 25301853 XHNGEMPKEBVBHU-FQEVSTJZSA-N 399.491 3.457 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccccc2F)cc1 2711742 FXGLOGURZQHXMY-UHFFFAOYSA-N 395.437 3.028 5 40 GGBB CS(=O)(=O)N1CCCCC[C@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 70038739 IFOWAKUWTVKBLH-IBGZPJMESA-N 395.525 3.011 5 40 GGBB COc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8209970 LZMHQUATCBNPIH-UHFFFAOYSA-N 389.477 3.177 5 40 GGBB COc1ccccc1NC(=O)Cc1noc(COc2ccc(C)cc2[N+](=O)[O-])n1 24733043 XVWONTYGHFEURT-UHFFFAOYSA-N 398.375 3.055 5 40 GGBB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 408784407 QVODIWKLIGPKRN-QGCWPSNUSA-N 399.428 3.486 5 40 GGBB Nc1nc2oc3ccccc3c(=O)c2cc1S(=O)(=O)c1ccc(Cl)cc1 19794160 ZXGHWULYKJIETC-UHFFFAOYSA-N 386.816 3.410 5 40 GGBB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc([N+](=O)[O-])cc1 7407533 UIMXTZUBVZBSNM-UHFFFAOYSA-N 392.209 3.068 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(c3nc4ccccc4s3)C2)c1 89875044 XYFLDHDBZGWWFF-OAHLLOKOSA-N 385.445 3.044 5 40 GGBB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076910 MLPKYGGTRQDVGJ-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1SCc1ccc([N+](=O)[O-])cc1 68569570 YIRHWLHDBKFRIQ-UHFFFAOYSA-N 379.306 3.402 5 40 GGBB biogenic Cc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1[N+](=O)[O-] 65522593 KZDOSNATLGARBJ-UHFFFAOYSA-N 389.209 3.243 5 40 GGBB Cc1c(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cccc1C(=O)O 6571291 ANYSPIAYGCERTF-CMDGGOBGSA-N 385.401 3.128 5 40 GGBB COc1cc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC 6187472 NXTOYQUCOXKVDE-UHFFFAOYSA-N 389.389 3.429 5 40 GGBB COc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 23386471 GOXLGJBPWNJGTQ-UWVGGRQHSA-N 376.331 3.463 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 8054696 WTZHGTFHLNAQFB-UHFFFAOYSA-N 393.421 3.098 5 40 GGBB Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 4694514 WRCLQMPNDCUJNB-UHFFFAOYSA-N 398.234 3.322 5 40 GGBB CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 100496176 WKPIQJKGQCVDDY-MHZLTWQESA-N 395.349 3.480 5 40 GGBB O=C(Nc1ccccc1OC(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5200526 OHHYWISBFDLZBF-UHFFFAOYSA-N 393.346 3.285 5 40 GGBB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 8416427 LGVGLEDGVOCDNY-UHFFFAOYSA-N 399.403 3.058 5 40 GGBB COc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 8902496 JBASPDNKDUTNNV-RUDMXATFSA-N 383.404 3.092 5 40 GGBB COc1ccccc1-c1cc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)on1 26232318 AHQACQVKAVVGMK-UHFFFAOYSA-N 379.328 3.055 5 40 GGBB COC(=O)c1cc(C(=O)OCC(=O)c2ccc(Cl)s2)cc([N+](=O)[O-])c1 3258993 FNWUBRVKRNQICG-UHFFFAOYSA-N 383.765 3.136 5 40 GGBB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408645457 UUPSTBXWTXHEAD-CQSZACIVSA-N 383.404 3.157 5 40 GGBB CC(=O)Nc1cccc(-n2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])c1 12885819 IYGLUTSLTKDHOU-UHFFFAOYSA-N 390.812 3.334 5 40 GGBB COc1ccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)cc1 819136 GBMMZRYWCJJUSC-UHFFFAOYSA-N 382.376 3.345 5 40 GGBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)O)cc1OC 1072051 VMBOKBUQDOVXCJ-UHFFFAOYSA-N 380.740 3.216 5 40 GGBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2258170 LEFKHMUVYQRNQC-CQSZACIVSA-N 377.448 3.129 5 40 GGBB COCCCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 2959635 YBIARLJPPHXCEM-UHFFFAOYSA-N 380.473 3.281 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COc2ccccc2O1 5688489 XHGJFFSKJWGYRZ-HNNXBMFYSA-N 385.420 3.011 5 40 GGBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 6615188 RSVHFCKHRJJUKP-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB O=c1[nH]c(/C=C\c2cccc(OCCOc3ccccc3)c2)nc(O)c1[N+](=O)[O-] 33553492 AYNFGLBDLZVXDF-KTKRTIGZSA-N 395.371 3.012 5 40 GGBB CCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1cccc(I)c1 84744413 VSLABSPYEUKNPL-CHWSQXEVSA-N 388.205 3.090 5 40 GGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409183888 WBIRFEOUBONYQB-UHFFFAOYSA-N 381.684 3.422 5 40 GGBB Cc1cccc(C(=O)N[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 24974889 PIJBNYWGNLNUEZ-LJQANCHMSA-N 381.432 3.247 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(CCOc3ccc(F)cc3)CC2)c2ccncc12 57373719 DHUPVOMNUXNDIM-UHFFFAOYSA-N 396.422 3.483 5 40 GGBB COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccccc1[N+](=O)[O-] 2320725 BDIYNLCSLIHDBR-UHFFFAOYSA-N 399.359 3.132 5 40 GGBB CC(C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCCCC1 12545867 SJMYEDBFBUWZFN-GOSISDBHSA-N 383.514 3.311 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 23379329 CXHWNADRRUOBFJ-NJPWYCGFSA-N 377.444 3.466 5 40 GGBB COC(=O)c1ccc(NCc2ccccc2N2CCC(CO)CC2)c([N+](=O)[O-])c1 4036509 AWCOVTOEAMLLNE-UHFFFAOYSA-N 399.447 3.202 5 40 GGBB COCCN(CCOC)C(=O)COC(=O)c1c2ccccc2cc2ccccc12 6643779 VMUGTXHDJVFHGG-UHFFFAOYSA-N 395.455 3.271 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cccnc1 7902678 WUVYKDQAGMANAI-UHFFFAOYSA-N 377.422 3.347 5 40 GGBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)nn12 408571754 FEVWEVWWJKUTPX-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc([N+](=O)[O-])s3)nc12 11612121 UWPDPYBGYZENRM-UHFFFAOYSA-N 380.363 3.435 5 40 GGBB C[C@@H]1CCc2ccccc2N1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 32934464 KQXJJCPNRKEIAL-CQSZACIVSA-N 389.477 3.252 5 40 GGBB C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1ccccc1 11187224 SVVAXLJCJDQDPL-CYBMUJFWSA-N 398.371 3.098 5 40 GGBB COc1ccc(-c2nsc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC 27794525 DTIZXMOTCWBYGU-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4549115 XYLMCOLWNFKDNH-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 218283482 FFOTZAQPJIZCQO-LLVKDONJSA-N 397.840 3.041 5 40 GGBB O=C(CCSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1cccc([N+](=O)[O-])c1 16399761 DNKDEUUAMBSPDY-UHFFFAOYSA-N 390.373 3.411 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] 12887588 RFBYXDFPBIKQBF-GJZGRUSLSA-N 397.431 3.405 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1c[nH]c2ccccc12 7508138 MVKQUYCVFSBZIO-LLVKDONJSA-N 383.360 3.269 5 40 GGBB O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 7726593 WZTPGROMCJDIET-UHFFFAOYSA-N 395.824 3.176 5 40 GGBB COc1cc(Cc2c3cc(OC)c(OC)cc3cc[n+]2C)c([N+](=O)[O-])cc1OC 4727626 DPSUVWUMRCTEAJ-UHFFFAOYSA-N 399.423 3.198 5 40 GGBB C[N+](C)(C)CCCNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2380463 AECKESUVYKUSKE-UHFFFAOYSA-N 393.373 3.099 5 40 GGBB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 5241708 PWZJRLGVKBKLQS-UHFFFAOYSA-N 391.430 3.250 5 40 GGBB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6006727 FUAOJSZENAQJSX-DHZHZOJOSA-N 384.388 3.497 5 40 GGBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1COc2ccccc2O1 2621022 IVHQSVOQSALMRX-MRXNPFEDSA-N 383.385 3.497 5 40 GGBB CCOc1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)c([N+](=O)[O-])c1 5482727 HBNJEPRQBIBPNT-UHFFFAOYSA-N 394.387 3.100 5 40 GGBB C[N+]1(C[C@@H](COCc2ccccc2)OC(=O)CCc2ccccc2)CCOCC1 4836921 DAXMHIAIDOJWKT-QHCPKHFHSA-N 398.523 3.225 5 40 GGBB O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@@H]1CCCO1 9118086 PVZISDJWMUWUAV-HXPMCKFVSA-N 397.387 3.069 5 40 GGBB Cc1nc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br 408629106 ZKUALMAXDNRPQY-UHFFFAOYSA-N 395.238 3.188 5 40 GGBB COCCn1c(-c2ccccc2Cl)nc2c(c(=O)c3ccccc3n2C)c1=O 2437479 QRQXWYIEYCQSQN-UHFFFAOYSA-N 395.846 3.215 5 40 GGBB CN(C)c1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3434407 PCRKDIOTOTXGGO-UHFFFAOYSA-N 377.784 3.110 5 40 GGBB aggregator COc1cccc(N2C[C@@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 12987378 FMDTYMGOYXEROZ-HOCLYGCPSA-N 397.431 3.176 5 40 GGBB NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1ccc(Br)cc1 13897231 UBSAOSLAKUHILW-MNDPQUGUSA-N 388.177 3.435 5 40 GGBB COCc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)oc2ccccc12 6236759 ZQYQTGJYPNYBGM-UHFFFAOYSA-N 395.415 3.450 5 40 GGBB CC(=O)Nc1ccc(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 8707551 GORXLPOKNHLSID-UHFFFAOYSA-N 375.812 3.408 5 40 GGBB O=[N+]([O-])c1cccc(-c2noc(CN(Cc3cccnc3)C[C@H]3CCCO3)n2)c1 69742161 FAUZSOGRAVUQIL-GOSISDBHSA-N 395.419 3.221 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 216375808 VOHQNFCFCAOVRF-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB COc1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl 224762394 MOGJTKDORAGXEP-UHFFFAOYSA-N 386.813 3.091 5 40 GGBB NC(=O)c1ccc(COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c([N+](=O)[O-])c1 102133201 SYPKAVJKTFTQPS-TYGXQLQZSA-N 392.839 3.315 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 1054585 LPXJJHRDDPIGAJ-UHFFFAOYSA-N 388.339 3.043 5 40 GGBB COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 58354855 QTJKUJJGWLMWOS-MRXNPFEDSA-N 380.404 3.467 5 40 GGBB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 14093927 JVFUAKZWNVWHAS-MRXNPFEDSA-N 383.429 3.490 5 40 GGBB CCc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408565257 JEQLMJIVSWBLNC-HIUFNZKISA-N 377.444 3.304 5 40 GGBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 24193277 FKNDYSLKPYZZIS-LJQANCHMSA-N 383.448 3.015 5 40 GGBB O=C(NCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 31768369 ZDCMCCTWJRNSRJ-UHFFFAOYSA-N 382.203 3.061 5 40 GGBB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224596662 WXGNIYVGKHOKPU-LJQANCHMSA-N 397.475 3.123 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1I 5868074 RWWBVFIUOOHWMB-UHFFFAOYSA-N 382.157 3.381 5 40 GGBB O=C(Nc1ccc(F)cc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270731 POTOWKIUMIMPTJ-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB CCOC(=O)N1CCN(C(=S)Nc2ccc3nc4ccccc4nc3c2)CC1 107878645 NYRJRVCSZQOCPC-UHFFFAOYSA-N 395.488 3.254 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cn3c(=S)ncn3-c3ccccc3)CC2)cc1 12538335 IAHYWFUCNHJRJZ-UHFFFAOYSA-N 396.476 3.091 5 40 GGBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1F 3230279 MGDLDVNCIQPEJZ-VMPITWQZSA-N 380.278 3.207 5 40 GGBB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1cccc([N+](=O)[O-])c1 12780161 GBSXZPRGCHYYBY-UHFFFAOYSA-N 398.444 3.274 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 6923312 JMKYASHNZLWNNN-QGFMHUBQSA-N 394.383 3.362 5 40 GGBB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 8408509 YYVLOPXQIDDQEU-ZDUSSCGKSA-N 385.372 3.411 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C 7079435 CVSPWNRICBWTNX-QWHCGFSZSA-N 384.388 3.127 5 40 GGBB O=Cc1ncc(Br)cc1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1652243167 OWMIQBLPLRIIML-UHFFFAOYSA-N 382.126 3.052 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 9970559 SACNJNLJMDTBAN-UHFFFAOYSA-N 387.783 3.398 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc([N+](=O)[O-])c(C)c1 7530642 HZYDFZNIQUILNL-UHFFFAOYSA-N 388.376 3.065 5 40 GGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100494668 AIBSCPMREKKWQG-UHFFFAOYSA-N 389.305 3.273 5 40 GGBB O=C(Nc1ccc(Cl)cc1Cl)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2796920 MCCJHDNCKRRNLH-UHFFFAOYSA-N 381.179 3.053 5 40 GGBB Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 23054818 MFHICKQOPBKOSM-UHFFFAOYSA-N 382.464 3.050 5 40 GGBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2N)c([N+](=O)[O-])c1 5265296 GCVRMUJMTJKICR-UHFFFAOYSA-N 383.433 3.211 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1O 7813614 BENYVRBZRWWJAL-VIFPVBQESA-N 394.767 3.146 5 40 GGBB Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 35448411 LYEDHFDVXRGYLO-UHFFFAOYSA-N 378.432 3.389 5 40 GGBB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224596711 WXGNIYVGKHOKPU-IBGZPJMESA-N 397.475 3.123 5 40 GGBB Cc1nc(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cs1 24924800 VFCALVUFQPLXRE-UHFFFAOYSA-N 377.469 3.279 5 40 GGBB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408758687 PFBNRJCQMMPBPN-MTIDIVMFSA-N 390.395 3.485 5 40 GGBB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 226694350 YIFWIYGNJAJPNK-HFOBELJZSA-N 377.194 3.059 5 40 GGBB Cc1ccc(Cl)cc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 850482 ZNQGAXYICHKNKX-UHFFFAOYSA-N 387.779 3.181 5 40 GGBB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1cc(Cl)ccc1[N+](=O)[O-] 32835906 NIHKJQWQTTUKBS-UHFFFAOYSA-N 399.716 3.240 5 40 GGBB O=C(COC(=O)c1cc(Br)ccc1O)c1ccc([N+](=O)[O-])cc1 1311245 VVVGQYJQSKZHMA-UHFFFAOYSA-N 380.150 3.103 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 5034817 LIEYHHZKLIIEAX-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB COc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 8922219 UALJZSROVWDKEP-SFHVURJKSA-N 396.403 3.212 5 40 GGBB COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2c1 408557578 OWCIMTRKUZKBGV-UHFFFAOYSA-N 388.405 3.219 5 40 GGBB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c([N+](=O)[O-])cc1OC 409030375 DAMRBXGSBTYMBS-DHDCSXOGSA-N 399.428 3.216 5 40 GGBB CN1CCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])CC1 15002158 GPJLZCIWKAUKPJ-UHFFFAOYSA-N 394.353 3.016 5 40 GGBB COc1ccc(C)cc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187969 XVRDDNWLXFHBLU-UHFFFAOYSA-N 393.399 3.374 5 40 GGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])C(=O)[C@H]2C)cc1 8638372 RBQVEHFCUJDVKK-CQSZACIVSA-N 396.403 3.007 5 40 GGBB CN(CCOc1ccc(Br)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 5689751 ZZXWPWFPMCERCD-UHFFFAOYSA-N 394.225 3.091 5 40 GGBB O=C1NC(=S)N/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl 959008 UCBGKULPZZGXTK-ZSOIEALJSA-N 389.820 3.172 5 40 GGBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 6882742 MBLSBRUQIFOROJ-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB CCN(CC)c1nc(C)c(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)s1 2638280 MZDMZQGUOXFCEE-UHFFFAOYSA-N 378.479 3.311 5 40 GGBB Cc1nc(-c2ccc3c(c2)CCN3C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cs1 18235709 QKBRIFAOFKDKNQ-UHFFFAOYSA-N 397.460 3.429 5 40 GGBB O=C(NCc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 22880815 SFHNAETUAWKDHA-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 43069397 MXJKPZZTUGTLJN-CQSZACIVSA-N 383.379 3.066 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 1467355 DLJRGJCMTTVXLO-GOSISDBHSA-N 390.403 3.422 5 40 GGBB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 25421541 XIJNNINRRMFFHM-QGZVFWFLSA-N 397.431 3.450 5 40 GGBB C[N+](C)(C)CCSC(=O)CCCCCCC(=O)SCC[N+](C)(C)C 4813935 CGFSJPMDDXXXCO-UHFFFAOYSA-N 378.648 3.259 5 40 GGBB O=C1N(c2ccccc2)N=C(O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]12 8971863 LMJHUJBYIRFMLE-XLIONFOSSA-N 378.388 3.024 5 40 GGBB CCOC(=O)C1=C(C)N(C)[C@H]2C=CC(OC(=O)c3cccc([N+](=O)[O-])c3C)=C[C@H]12 11565796 ZVIFKQHEDHBMBB-WMZOPIPTSA-N 398.415 3.281 5 40 GGBB CC(=O)Nc1nc(-c2ccc3c(c2)OCO3)nc2c1c(=O)oc1ccccc12 226757601 NLENIRFPAVTEKJ-UHFFFAOYSA-N 375.340 3.090 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(-c2cccnc2)n[nH]1 4954333 VIHBMYQGVGBPNE-LLVKDONJSA-N 384.421 3.203 5 40 GGBB CCOc1ccc(-c2nc(Cn3cc([N+](=O)[O-])ccc3=O)cs2)cc1OC 32667979 PIRDRGWDUAYXFZ-UHFFFAOYSA-N 387.417 3.336 5 40 GGBB CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O 10008637 YFXGADXOHHPNAT-UHFFFAOYSA-N 397.840 3.286 5 40 GGBB COc1ccc(C(=O)N2CCCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] 58015364 UDRWZHIVGRJWBS-UHFFFAOYSA-N 375.469 3.332 5 40 GGBB CN1CCN(c2nc3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3s2)CC1 7512533 RCRTZIIFDGZVRU-UHFFFAOYSA-N 398.444 3.176 5 40 GGBB COc1cc(C(=O)NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC 23737435 UQFCRHSGJLEOPW-SFHVURJKSA-N 399.447 3.179 5 40 GGBB COc1ccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 55681917 OESOFWJQKJSPBO-OKILXGFUSA-N 385.420 3.469 5 40 GGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 12748722 MXCBRLYBVOQXGK-UHFFFAOYSA-N 396.399 3.101 5 40 GGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2 5687969 LMPXKALMTGPBPH-UHFFFAOYSA-N 397.309 3.435 5 40 GGBB COc1cc(OCC(=O)NCCCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] 122721555 YKNGMGATGBJQRJ-UHFFFAOYSA-N 378.812 3.385 5 40 GGBB Cc1ccc(N2C(=O)C[C@@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1C 5324507 DFNFDZCBROLNTF-FQEVSTJZSA-N 379.372 3.038 5 40 GGBB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32788801 JDXCCGSKNJYYPG-UHFFFAOYSA-N 384.367 3.071 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2C(=O)NC2CC2)c1C 10760033 WNGYYOMXXCMKTI-UHFFFAOYSA-N 382.420 3.154 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])s1)NCC12CC3CC(CC(C3)C1)C2 5020743 GPHGCWRFRCMSAE-UHFFFAOYSA-N 378.450 3.146 5 40 GGBB COc1ccccc1-c1nc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cs1 9154892 ZCMDEMSRGGRKHA-UHFFFAOYSA-N 394.412 3.485 5 40 GGBB Cc1c(OCC(=O)N[C@H](CO)CC(C)C)ccc2c1oc(=O)c1ccccc12 6759527 BHHJCORTBYYOCC-HNNXBMFYSA-N 383.444 3.157 5 40 GGBB CC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 39761538 ABSJITMNPBEAQZ-UHFFFAOYSA-N 383.389 3.324 5 40 GGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 845626 NITIFTBSCJQOAN-QGZVFWFLSA-N 398.444 3.035 5 40 GGBB O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CCC[C@H](c2nc3ccccc3o2)C1 48287879 ZUULCQXJNUKYGL-ZDUSSCGKSA-N 394.387 3.481 5 40 GGBB COC(=O)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc([N+](=O)[O-])c1 8244207 MXTDOPOAUQMVBZ-UHFFFAOYSA-N 385.401 3.263 5 40 GGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(F)cc2F)NC(=O)N1 5560103 PRGHLBSRFMFYLM-INIZCTEOSA-N 388.330 3.140 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408640547 IJFJDZPLJOTBFM-CQSZACIVSA-N 383.404 3.212 5 40 GGBB COc1cccc2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc12 5181743 JZXQCSICKCJFKE-UHFFFAOYSA-N 398.444 3.176 5 40 GGBB Cc1[nH]c2ccccc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4539645 AVTRRMFNBNOAFD-UHFFFAOYSA-N 391.383 3.463 5 40 GGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 7342084 MONPRILDCYABEY-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 408618679 DXIJJGWHDJOJSR-UHFFFAOYSA-N 393.808 3.146 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2c(F)cccc2Br)ccc1O 84339011 WIAOYVKBGSNPSP-UHFFFAOYSA-N 391.174 3.003 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c(Cl)c1 95351448 BZQQXSZEFIDSQB-UHFFFAOYSA-N 389.839 3.342 5 40 GGBB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224183941 ZUZGLNUVJMPIGL-IBGZPJMESA-N 397.475 3.389 5 40 GGBB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nccc2c([N+](=O)[O-])cccc12 585138324 FLLAJDFJMKPOII-UHFFFAOYSA-N 389.437 3.338 5 40 GGBB C[C@@H](Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1 107665779 OCJCNDUIXLWERB-CNELAYHGSA-N 379.372 3.282 5 40 GGBB Cc1cc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])ccc1N1CCCC1=O 14320215 XNQRYFMHIAEWHL-UHFFFAOYSA-N 389.433 3.177 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCCCCN1C(=O)c2ccccc2C1=O 7062690 MBYCWQKBEQKLJP-ZHACJKMWSA-N 394.383 3.228 5 40 GGBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2ccccc21 4484884 OKGZWDAIUWBWFZ-UHFFFAOYSA-N 386.433 3.322 5 40 GGBB Cc1cc(S(=O)(=O)N(C)Cc2nc3ccccc3s2)cc([N+](=O)[O-])c1F 89587211 OJUUPNAKJRNESS-UHFFFAOYSA-N 395.437 3.473 5 40 GGBB CC(C)(C)OC(=O)N1CCC(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 65356369 LSJCZRQOPRMKSN-UHFFFAOYSA-N 384.454 3.113 5 40 GGBB CCOC(=O)c1cc2c(=O)oc3ccccc3c2n(Cc2ccccc2)c1=O 3850690 NWMDVNQLPUSGGW-UHFFFAOYSA-N 375.380 3.333 5 40 GGBB biogenic COc1ccc(NC(=O)CSc2ccccc2NC(C)=O)c([N+](=O)[O-])c1 14152464 QMWRNHUPUJISBG-UHFFFAOYSA-N 375.406 3.293 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccn(OCc2cccc(Cl)c2)c1=O 5054759 GTBICDMBQLZERL-UHFFFAOYSA-N 399.790 3.291 5 40 GGBB CCOC(=O)CSc1nc2cc(C(=O)OC)ccc2c2nc3ccccc3n12 6918765 YDSOVGXOQNZEAI-UHFFFAOYSA-N 395.440 3.478 5 40 GGBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Cl)OCCO2 40040543 ZNXGGOAMNYRNEX-UHFFFAOYSA-N 377.784 3.460 5 40 GGBB O=C(Nc1nnc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3016538 FSLTZENVWMZXBB-UHFFFAOYSA-N 385.361 3.198 5 40 GGBB COc1ccc(CCN(C)C(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1OC 24732984 XUOQHGLUDLKCMO-UHFFFAOYSA-N 388.420 3.000 5 40 GGBB O=C1c2ccc(I)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4419489 WGGPBOPBGKKPEZ-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB Cc1csc([C@](O)(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)n1 65590746 MUHOAIGRQWHGPY-CQSZACIVSA-N 389.355 3.447 5 40 GGBB C[C@@H]1COC[C@@H](c2ccccc2)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 95452660 GZEZZEJSZZXSON-BEFAXECRSA-N 397.431 3.355 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 20133743 FVFBUBRUIFMLQJ-MRXNPFEDSA-N 386.335 3.197 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nc(-c3cccnc3)no2)C1 1363940 PMTLEJWMGNUIPI-CQSZACIVSA-N 379.376 3.060 5 40 GGBB Cc1ccc(C)c(OC2CCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])CC2)c1 57142448 ILEVSVMHYQZZMO-UHFFFAOYSA-N 394.431 3.267 5 40 GGBB Cc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 12864130 RBQOJMNEHOYRAY-QGZVFWFLSA-N 383.429 3.490 5 40 GGBB O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCc2ccc(F)c(F)c2C1 1631722275 CDDVVUHAMNKOSL-UHFFFAOYSA-N 384.342 3.462 5 40 GGBB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 57638293 RTWHGDJGCAPAET-UHFFFAOYSA-N 394.387 3.172 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)c1 224664952 CEVOANLSKLEXOU-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB CN(C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 10335591 ZAAZVDVXCMAEAQ-FQEVSTJZSA-N 399.472 3.329 5 40 GGBB COc1cc(CCNC(=O)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC 11080622 MRSHEZNADWWKGN-UHFFFAOYSA-N 378.812 3.167 5 40 GGBB Cc1cccc(-n2nnnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 2621284 VJYMNEWIBZACIJ-UHFFFAOYSA-N 385.405 3.038 5 40 GGBB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 55595516 VQWPSDZMWFMFSZ-UHFFFAOYSA-N 389.433 3.361 5 40 GGBB O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1Cl 24891589 OOZNTWYOOBHDPT-UHFFFAOYSA-N 388.855 3.399 5 40 GGBB COc1ccccc1N1CCN(c2ccc(-c3nc(C)no3)cc2[N+](=O)[O-])CC1 20897952 INTWAELWAGVRNE-UHFFFAOYSA-N 395.419 3.288 5 40 GGBB O=C(O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20142786 GOEQYLLIXPIUBD-UHFFFAOYSA-N 383.404 3.213 5 40 GGBB COc1ccc(C)cc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 8075813 AZOQKTHZBWNYMV-UHFFFAOYSA-N 385.376 3.239 5 40 GGBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3CCCc3ccccc3)n2)c1 15674847 OLJXBKLONXAGDA-MOPGFXCFSA-N 394.431 3.385 5 40 GGBB biogenic,in-vitro O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSc1nc2ccccc2s1 2491184 NJNPGQRTWHCLJW-UHFFFAOYSA-N 395.487 3.275 5 40 GGBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 831362 PQYLPVBWFBDCET-KRWDZBQOSA-N 394.474 3.348 5 40 GGBB CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7928463 CGEVHBWUNSZLMJ-OAHLLOKOSA-N 381.388 3.097 5 40 GGBB Cc1cc(NC(=O)CNc2ccccc2N2CCCC2=O)c([N+](=O)[O-])cc1C 12609554 FNEDTASLKRJJMF-UHFFFAOYSA-N 382.420 3.389 5 40 GGBB COC[C@@H](C)NS(=O)(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 8149321 VOYMWHYTCQKGDK-CYBMUJFWSA-N 385.486 3.043 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2F)cc1 4144868 HOAZIUMZYBUHKT-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc([N+](=O)[O-])c1O 408796635 BEHZCYNIMZPNHD-UHFFFAOYSA-N 390.372 3.211 5 40 GGBB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)O 42783157 DDTWMSMYKRDNQC-JQWIXIFHSA-N 386.788 3.090 5 40 GGBB CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)Sc2c1nc(C)n2C(=O)CC 16806813 ASHTXFZYZPMQFD-UHFFFAOYSA-N 387.421 3.360 5 40 GGBB O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCCc1ccc(Cl)cc1 4922590 SFYMXSPZWMJCLK-UHFFFAOYSA-N 394.218 3.375 5 40 GGBB CCN(C(=O)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1C 58265123 LOSMILQUFCAUQY-UHFFFAOYSA-N 376.434 3.038 5 40 GGBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(F)c(F)c1 10320971 NXZMFYNYENPAGR-SECBINFHSA-N 393.298 3.072 5 40 GGBB Cc1nc2ccc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)cc2s1 6561712 XXLFFCSYKCXONQ-UHFFFAOYSA-N 391.430 3.169 5 40 GGBB Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cccc1[N+](=O)[O-] 19309315 ZVKYQGFLAGGMCY-UHFFFAOYSA-N 394.353 3.279 5 40 GGBB O=C(NC(=S)NC1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408618017 BSVZVHKYMZMRJD-UHFFFAOYSA-N 376.482 3.132 5 40 GGBB COc1cccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)c1 72229560 OESFRSVJEINKCA-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772958 ZKRDFBHWQDICCR-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB Cc1ccc(C)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220399005 SFDOIWHPJWWALM-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB Cc1sc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 31009690 VCASSHQYEBAZDT-NXEZZACHSA-N 394.371 3.359 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)cc(C)c2)CC1=O 7928450 ONVHHOQKUROLNA-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB CCOc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1OC 36398865 LVUUWCPMJDIOIJ-UHFFFAOYSA-N 386.408 3.250 5 40 GGBB CCC1(O)CCC(NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 95459088 XJIVPJHYUMDVJD-UHFFFAOYSA-N 390.358 3.349 5 40 GGBB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 409409238 GILAQUHZWSBZMJ-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12 7424026 MBVOLJNFSYUPSU-UHFFFAOYSA-N 389.371 3.183 5 40 GGBB O=C(Nc1cccnc1-n1cccn1)c1ccc(Br)c([N+](=O)[O-])c1 31951027 YVLXIGXEBAWASA-UHFFFAOYSA-N 388.181 3.190 5 40 GGBB COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(CCO)c2ccccc2C1(C)C 1509807 UMRWUJOGRLVXTK-NRFANRHFSA-N 382.416 3.495 5 40 GGBB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20650153 ASAXTKDUKGJKEH-MRXNPFEDSA-N 393.447 3.046 5 40 GGBB CC(=O)c1ccccc1OCCOc1cc(N2CCCC2=O)ccc1[N+](=O)[O-] 14076868 WYQVAVSLHUNDGZ-UHFFFAOYSA-N 384.388 3.382 5 40 GGBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(OC(F)F)cc1 3269922 BMBBNKVBYQTWAA-BJMVGYQFSA-N 392.314 3.391 5 40 GGBB Cc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1[N+](=O)[O-] 6846515 ACAAPBIJSRXYTN-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 58159421 LGXVFVCDKGCUPJ-UHFFFAOYSA-N 392.818 3.148 5 40 GGBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 6896679 CYURUJBEEWVWNJ-UHFFFAOYSA-N 380.448 3.157 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 7848192 REXILGQKOXOEOY-CYBMUJFWSA-N 398.419 3.169 5 40 GGBB CCNc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1[N+](=O)[O-] 32809020 DEWPCGNSAVEMLL-HNNXBMFYSA-N 380.408 3.047 5 40 GGBB COc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 55681921 OESOFWJQKJSPBO-ZIAGYGMSSA-N 385.420 3.469 5 40 GGBB CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 35326657 XKPRWRCDVDZZIA-KRWDZBQOSA-N 398.806 3.245 5 40 GGBB Cc1cc(NCCc2nnc3ccccn23)nc(-c2cccc([N+](=O)[O-])c2)n1 58144659 XUOBAOYQWOCWIB-UHFFFAOYSA-N 375.392 3.058 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 5717261 QBYVTIKDWTVXKL-UHFFFAOYSA-N 382.157 3.381 5 40 GGBB O=C(Nc1ccc(F)cc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187952 OYSBHXWCNXDHTG-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB Cc1cccc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)c1 8587115 MBZYGTXEXJYUAR-UHFFFAOYSA-N 379.420 3.372 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 55012738 GGSZLCXDQPVFMT-GFCCVEGCSA-N 381.797 3.450 5 40 GGBB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102734036 OQTSTRMAGBTNRN-IPMKNSEASA-N 395.415 3.319 5 40 GGBB CC(C)Oc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 20611746 SAWOLVOYXZDRCU-UHFFFAOYSA-N 385.420 3.471 5 40 GGBB C[C@H]1CCCCN1S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl 4708640 ROQPFFLAPJNNJE-LBPRGKRZSA-N 391.880 3.064 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 131254315 OKYAAYUFKNBVBO-UHFFFAOYSA-N 387.461 3.303 5 40 GGBB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccccc1[N+](=O)[O-] 19960206 MDBGELSVDUBTGI-UHFFFAOYSA-N 384.355 3.004 5 40 GGBB C[C@@H]1CCCN(CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 36393211 KBEAVDUKWIOJGQ-CYBMUJFWSA-N 389.905 3.039 5 40 GGBB CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95463372 NYAKCODIAKEQKK-QLJPJBMISA-N 377.328 3.148 5 40 GGBB CCn1c(COc2ccccc2F)nnc1Sc1ccc([N+](=O)[O-])cn1 409385162 JTYXQJYDCUDEQH-UHFFFAOYSA-N 375.385 3.471 5 40 GGBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cccnc1 4996669 LBYUMDHHDTYVSB-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)c1 6270374 DBKQTADCJKNFSF-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10366798 MFKOBCVDNMAPQJ-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21 2251748 LIYCPAGCKWWAOF-CQSZACIVSA-N 377.448 3.274 5 40 GGBB CCOC(=O)c1cc(C(=O)N(C)CCOc2cccc(C)c2)cc([N+](=O)[O-])c1 16148369 BOQSFZWGZSWVKO-UHFFFAOYSA-N 386.404 3.231 5 40 GGBB O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)c(N2CCOCC2)c([N+](=O)[O-])c1 8450155 PJXUDAHUZKNBLL-UHFFFAOYSA-N 397.347 3.057 5 40 GGBB Cc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778576 SKNWHQDZQNDTDG-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB O=C(COc1cccc([N+](=O)[O-])c1)NCc1cccc(NC(=O)C2CCCC2)c1 48355123 JPDWCRVZFMOABY-UHFFFAOYSA-N 397.431 3.419 5 40 GGBB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC(=O)O2 524734572 RVFKNAURQXVVIG-CYBMUJFWSA-N 380.356 3.303 5 40 GGBB O=C(OCc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCCO 35800739 VRHWVXKXPOHULD-UHFFFAOYSA-N 384.310 3.375 5 40 GGBB CC(C)[C@H](NC(=O)OC(C)(C)C)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 2244293 XFVHUHJBRJYSAP-ZDUSSCGKSA-N 379.442 3.064 5 40 GGBB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 20650156 ASAXTKDUKGJKEH-INIZCTEOSA-N 393.447 3.046 5 40 GGBB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 12994848 WRJUEHXZBWOZRG-KRWDZBQOSA-N 385.420 3.048 5 40 GGBB O=C(N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccccc1 5522695 QPNRUZBBVVGPGF-XDJHFCHBSA-N 379.416 3.378 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 4819810 ISZHYRQHXVDCRY-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1S(=O)(=O)CC 72313702 XOVNMEBZIHGFEN-UHFFFAOYSA-N 376.434 3.364 5 40 GGBB CCOc1ccccc1CCCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219825197 DXZLTZFFNWTYSX-UHFFFAOYSA-N 388.420 3.130 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270448 YWXDAFKEBPKVFK-UHFFFAOYSA-N 397.362 3.205 5 40 GGBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 705252 SGNBBAOORGZOHW-INIZCTEOSA-N 380.447 3.040 5 40 GGBB CCOC(=O)c1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccc(Cl)cc32)cc1 2249051 WWFZWPZPCLPISH-UHFFFAOYSA-N 395.802 3.009 5 40 GGBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 2247987 AWMDOZRXNYWHAV-UHFFFAOYSA-N 379.464 3.295 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(C(=O)NC2CC2)c1 12854519 MRFLTJBVBCPSGL-UHFFFAOYSA-N 389.795 3.158 5 40 GGBB COc1ccc(OCc2nc(N)nc(Nc3ccc(C)cc3)n2)c([N+](=O)[O-])c1 5321556 NRBYVNOHMGWQQD-UHFFFAOYSA-N 382.380 3.002 5 40 GGBB CNS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 15207330 XPNWUTQJHSEDMB-UHFFFAOYSA-N 390.465 3.237 5 40 GGBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CCSCC1 408993491 DKYFLZAHSSBPRY-UHFFFAOYSA-N 398.513 3.300 5 40 GGBB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2)N1C(C)=O 2095185 KESMRDQTEMEIAJ-UYAOXDASSA-N 393.399 3.112 5 40 GGBB biogenic CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 224760623 CLSQFRUAYGVIFC-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB O=C(CCc1ccccc1)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 48374273 QOKOTXSZSQNHHL-UHFFFAOYSA-N 381.476 3.351 5 40 GGBB COC(=O)c1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 101085003 IWBYQUPXGJMTKN-HNAYVOBHSA-N 383.360 3.151 5 40 GGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 845625 NYAMVHFGTVKVPM-KRWDZBQOSA-N 398.444 3.035 5 40 GGBB Cc1cccc(NC2=N[C@@H](c3ccccc3[N+](=O)[O-])n3c(nc(C)cc3=O)N2)c1 7495813 ZQGSDFJMUYEDNP-GOSISDBHSA-N 390.403 3.209 5 40 GGBB CCCC[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101047267 RKROBLKADFNWMV-FHWLQOOXSA-N 395.415 3.463 5 40 GGBB O=C(CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccs1 12528309 STRIXPSRQOETIO-UHFFFAOYSA-N 387.461 3.358 5 40 GGBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1O 12556316 PIGPWDQEVKSTND-HXPMCKFVSA-N 399.403 3.055 5 40 GGBB COCCCCN1C(=O)[C@@H](Oc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 58154927 BBPPKQKCDODQPS-MOPGFXCFSA-N 388.395 3.491 5 40 GGBB O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC(Oc2ccccc2)CC1 58417424 STKHEFBGZJYCIB-UHFFFAOYSA-N 392.415 3.464 5 40 GGBB CCc1nc(COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cs1 12807929 RYHJLNLHWDEDEG-UHFFFAOYSA-N 399.494 3.223 5 40 GGBB CCC[C@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35291371 GBOSLFQCULFTPD-LJQANCHMSA-N 399.499 3.360 5 40 GGBB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980433 UZDMFMSFJUWRGY-FXUPRZHBSA-N 390.436 3.453 5 40 GGBB COc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 12178873 DWSSPJAMOALRDW-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB CCn1c(=O)c(=O)n(CC)c2cc([N+](=O)[O-])c(Sc3ccc(F)cc3)cc21 15083568 KXIWUYUMNYAGRI-UHFFFAOYSA-N 389.408 3.402 5 40 GGBB CC(C)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 31146623 SVBHGJPNRIZFPN-LJQANCHMSA-N 397.479 3.261 5 40 GGBB COc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(F)F 3489866 RBWRCFSTDDLSFH-UHFFFAOYSA-N 396.302 3.000 5 40 GGBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 53541502 QRRAJTFWIVVITQ-INIZCTEOSA-N 385.420 3.056 5 40 GGBB CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 2117153 RCRPMRUFRJQOCY-RGEXLXHISA-N 397.431 3.243 5 40 GGBB CCCC[C@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2125917 AYSAAPAFNRICIG-KRWDZBQOSA-N 397.427 3.393 5 40 GGBB biogenic Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)N(C1=CCCCC1)C1CC1 48302574 AIZWIWUJBHOFMO-UHFFFAOYSA-N 383.246 3.311 5 40 GGBB O=C(Nc1ccccc1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 28812217 PUJZTZCDRUMYRF-OAHLLOKOSA-N 379.420 3.253 5 40 GGBB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 6352244 IBKXSEWOJVHXLS-UHFFFAOYSA-N 391.449 3.186 5 40 GGBB Cc1ccc(Sc2ccc(C(=O)N3CCNC(=O)CC3)cc2[N+](=O)[O-])cc1 65903384 RYHHANHUFSBNAP-UHFFFAOYSA-N 385.445 3.017 5 40 GGBB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc1OCC 95534521 NGGOKVWOZANZBI-QGZVFWFLSA-N 383.408 3.225 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[nH]1 10475521 KITXYNCHTYKOFH-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB CC(=O)N[C@H](CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 12777393 PDIVQFDDALUFCR-BLLLJJGKSA-N 375.450 3.443 5 40 GGBB COCCCn1c(-c2cccs2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2360698 PODLABWDGVRHFS-UHFFFAOYSA-N 398.440 3.277 5 40 GGBB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5831553 KCXDVEKICHJZDZ-UHFFFAOYSA-N 396.808 3.455 5 40 GGBB CC[N+](C)(CC)CCN1C[C@H]2CC[C@H]1[C@@H]1CC[C@H]2N(CC[N+](C)(CC)CC)C1 101042038 LIFOCVASPKUNPU-YCAMKHIRSA-N 394.692 3.134 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 12742843 YTTFXTWXPLZSSB-NSHDSACASA-N 382.376 3.046 5 40 GGBB Cc1ccc(CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 13137569 PYFNZMNYECFGBP-UHFFFAOYSA-N 383.433 3.113 5 40 GGBB CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Cl)cc1Cl 6420984 NSOQBEMDDQGYRH-NVNXTCNLSA-N 394.214 3.419 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 6757759 MIGRXAMBHDFJSX-UHFFFAOYSA-N 391.449 3.186 5 40 GGBB CC(=O)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7929532 IMKWXYVRWHQWMH-HNNXBMFYSA-N 382.372 3.064 5 40 GGBB Cc1nn(CC(=O)Nc2c3c(nc4ccccc24)CCCC3)c(C)c1[N+](=O)[O-] 32801970 GVHDFEOGOQOPAA-UHFFFAOYSA-N 379.420 3.474 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCOc1ccc(Br)cc1 3598316 SZQYMZUHZLGYOK-UHFFFAOYSA-N 391.177 3.032 5 40 GGBB O=C(COc1c(Cl)cccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 9388627 DZUNNEXAYCGNFP-CQSZACIVSA-N 385.203 3.130 5 40 GGBB CO[C@@H]1[C@H](C)[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C 97033954 TWHPIITWNRUQIO-OXHMUOHRSA-N 378.397 3.063 5 40 GGBB Cc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1Cc1ccccc1 4985252 IZMLAGRHQVPBEN-UHFFFAOYSA-N 383.433 3.274 5 40 GGBB C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCCC1 32910700 UPUYCFAMBFAOIC-ZDUSSCGKSA-N 380.466 3.410 5 40 GGBB COc1ccc([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N2CCCCC2)cc1 5689749 MAEJNZDTQSSYQV-HXUWFJFHSA-N 398.463 3.143 5 40 GGBB COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)c(OC)c1 3227453 PLIFNGJCADPQLS-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] 8560758 VSBDLLICJVESAG-UHFFFAOYSA-N 386.114 3.119 5 40 GGBB Cc1ccc(Br)cc1NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 778002 ICNPUKPICSQNGE-UHFFFAOYSA-N 390.193 3.331 5 40 GGBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1cccc([N+](=O)[O-])c1 57315640 PTSQATVTOVPVQB-UHFFFAOYSA-N 393.837 3.380 5 40 GGBB O=C(Nc1cccc2cccnc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 43529769 AMBXOPPVLLFDHX-UHFFFAOYSA-N 377.404 3.497 5 40 GGBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 25325758 QRPOMSBIUJOGQL-OAHLLOKOSA-N 395.868 3.113 5 40 GGBB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142594 WGWDVHBBWYQXST-UHFFFAOYSA-N 385.376 3.241 5 40 GGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(C)ccc2C)NC(=O)N1 6052543 JENZKXKIIAIRAE-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COc1cccc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1OC 6753557 CFHGAYKMFWHRNE-UHFFFAOYSA-N 393.827 3.336 5 40 GGBB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 22362773 YOVHFMZJONFOMY-UHFFFAOYSA-N 375.812 3.333 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(Cc2ccccc2)n1 192680915 PAROADMVVWVPLA-UHFFFAOYSA-N 383.433 3.343 5 40 GGBB Cc1ccc(-n2ncc3c(=O)n(Cc4cccc([N+](=O)[O-])c4)cnc32)c(C)c1 4479300 QRKUJWYWXOYSCD-UHFFFAOYSA-N 375.388 3.156 5 40 GGBB O=C(c1ccccc1Oc1ccc([N+](=O)[O-])c2cccnc12)N1CCOCC1 20494682 AYLTYEAPWUQEDD-UHFFFAOYSA-N 379.372 3.408 5 40 GGBB CN(Cc1cccc(F)c1)c1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 7984872 ZEEZCHVRGAVBSM-UHFFFAOYSA-N 395.456 3.447 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2c(C)cccc2C)CC1=O 7928417 FKWFVOWVCWDVKA-CQSZACIVSA-N 383.404 3.212 5 40 GGBB COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCC3)cc1OC 32854550 ZXEZTWJULQFXFT-UHFFFAOYSA-N 386.404 3.370 5 40 GGBB COc1cc2nc(CN(C)[C@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC 49581068 YCRSYFQMOLQUPG-GFCCVEGCSA-N 398.419 3.042 5 40 GGBB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 3505145 QXSYAWQRGWEEMB-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB NC(=O)c1ccc(SCC(=O)Nc2cccc3c2CCCC3)c([N+](=O)[O-])c1 12767990 JVQKRQYFNVJOFT-UHFFFAOYSA-N 385.445 3.303 5 40 GGBB COC(=O)c1c(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)sc2c1CCCCC2 647826 POIPSPOXZDIOJE-UHFFFAOYSA-N 392.437 3.006 5 40 GGBB Cc1cnc([N+](=O)[O-])n1CCOC(=O)c1cccc(OC(F)(F)C(F)F)c1 1425149 IRXMMQQVMUFVPF-UHFFFAOYSA-N 391.277 3.193 5 40 GGBB CC(=O)c1ccc(NCCN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 12509025 WFJTYORYMAWRMI-UHFFFAOYSA-N 382.464 3.027 5 40 GGBB COc1ccc(OC)c(Nc2nc(NCCC(C)C)nc(N)c2[N+](=O)[O-])c1 5163786 HTXRVZKYSPGFDM-UHFFFAOYSA-N 376.417 3.186 5 40 GGBB Cc1cc(C)cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 6825791 NYXLXNQLCAHRRL-UHFFFAOYSA-N 392.433 3.025 5 40 GGBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@H](C)CC 33936278 RPTSTMJEGACHCP-GXMKHXEJSA-N 375.381 3.130 5 40 GGBB CN(Cc1cccc(O)c1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 95446149 YJFZAQDHWZTKPS-UHFFFAOYSA-N 390.339 3.230 5 40 GGBB CCOCCCNC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 4931087 PTEHGKOPRHBGCK-UHFFFAOYSA-N 388.449 3.436 5 40 GGBB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 11494125 UTSUIBDPDXBWAU-ZDUSSCGKSA-N 394.387 3.477 5 40 GGBB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 57764418 AEGWKTGDWNSXND-UHFFFAOYSA-N 398.762 3.343 5 40 GGBB Cc1nc(-c2ccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)no1 43765242 UAJLSSQEQXFDSP-UHFFFAOYSA-N 375.362 3.149 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4472991 RUMHEOHWBFGOFA-UHFFFAOYSA-N 399.146 3.387 5 40 GGBB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9191388 NNQRANRXNCDEHZ-UHFFFAOYSA-N 396.384 3.265 5 40 GGBB O=Cc1cccn1-c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 9372394 XWWCYZZVHWHHJB-UHFFFAOYSA-N 378.340 3.238 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1cccs1 25832008 AVUVAKBWNPKWDV-CYBMUJFWSA-N 375.450 3.386 5 40 GGBB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 10219102 OFYSSELNAWMBCW-UHFFFAOYSA-N 382.825 3.441 5 40 GGBB COc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c(OC)c1 10010559 TZTHKBBPAFNAKD-UHFFFAOYSA-N 389.389 3.483 5 40 GGBB COc1cc(Br)c(COC(=O)c2cc([N+](=O)[O-])cn2C)cc1OC 32842842 XYACCBLSDNEDPA-UHFFFAOYSA-N 399.197 3.070 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccs1)C[C@H]1CCCO1 27959415 DAFJODJHIVDSLL-CQSZACIVSA-N 396.490 3.335 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2ncsc2c1 7060829 XUEQHUKEWMKCJQ-UHFFFAOYSA-N 387.373 3.009 5 40 GGBB CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C(N)=O)c1cccc(Br)c1 95449760 DXYDBSADHSUTSK-OAHLLOKOSA-N 378.226 3.016 5 40 GGBB COc1ccccc1Nc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1N(C)C 35045929 VFWXPMDBUBSJGW-UHFFFAOYSA-N 384.352 3.264 5 40 GGBB O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1Cc1ccccc1 38829058 SEUQETSNZAZSBS-UHFFFAOYSA-N 380.407 3.144 5 40 GGBB Cc1ccccc1Oc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)cc([N+](=O)[O-])c1 13960369 KABZEXOEDWBXCZ-RDGPPVDQSA-N 394.383 3.362 5 40 GGBB COCCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccc(F)c(C)c2)cc1OC 10552686 HPSBCTUEECSLNO-UHFFFAOYSA-N 392.383 3.006 5 40 GGBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC 58023126 WOOPGKWXXUNHFB-UHFFFAOYSA-N 379.752 3.305 5 40 GGBB CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 4387289 OQWJFHMSUYBXOP-QGZVFWFLSA-N 399.403 3.076 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 5644391 OPFHVSPEHJGZNS-QGZVFWFLSA-N 382.372 3.366 5 40 GGBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc([N+](=O)[O-])c1 408627145 KTGWYIJIVSVZMN-UHFFFAOYSA-N 376.394 3.470 5 40 GGBB CCOP(=O)(OCC)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3180301 MYHKKCPVUHTTOZ-UHFFFAOYSA-N 389.301 3.235 5 40 GGBB COc1ccc([C@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)c(OC)c1 100848890 PAVXUKNZTCTCNJ-KRWDZBQOSA-N 383.404 3.312 5 40 GGBB COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1cccc([N+](=O)[O-])c1 20111211 AZRBYODTERXTHO-FQEVSTJZSA-N 384.432 3.353 5 40 GGBB biogenic O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCc1cccc([N+](=O)[O-])c1 23938005 GZKLXJWIHVQPJH-UHFFFAOYSA-N 381.388 3.055 5 40 GGBB CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccccc2[N+](=O)[O-])n1 58163753 DVJBOBBVQNWXDT-UHFFFAOYSA-N 378.385 3.317 5 40 GGBB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 12885713 OELKVATVGOQBMC-UJGDBWEASA-N 379.416 3.485 5 40 GGBB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12912547 AQVPTCLHTBGUGX-KPKJPENVSA-N 379.416 3.159 5 40 GGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1ccc(CCO)cc1 6660529 WXLYUXZDDMYYKV-UHFFFAOYSA-N 389.407 3.499 5 40 GGBB O=C(Nc1ccc(OC[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccco1 27213254 JZZJLJCFZLHJHD-INIZCTEOSA-N 398.371 3.259 5 40 GGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(CC)C2 4223442 UYAFLAUHZWUTAJ-UHFFFAOYSA-N 393.421 3.056 5 40 GGBB COCCNc1ccc(C(=O)NCc2nc3ccccc3s2)cc1[N+](=O)[O-] 24588808 GCJLTGYLGCDVEV-UHFFFAOYSA-N 386.433 3.193 5 40 GGBB Cc1oc2c3c(cc([N+](=O)[O-])c2c(=O)c1-c1ccc([N+](=O)[O-])cc1)OCCO3 2345573 POUGMLCQZNEDKP-UHFFFAOYSA-N 384.300 3.356 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 12792289 MQRRUUZTHVIEIV-CQSZACIVSA-N 394.431 3.374 5 40 GGBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 5008013 GCZFQCAFTAAGAK-UHFFFAOYSA-N 383.433 3.274 5 40 GGBB C[C@H]1COC[C@H](c2ccccc2)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 95452659 GZEZZEJSZZXSON-HNAYVOBHSA-N 397.431 3.355 5 40 GGBB CCNc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1[N+](=O)[O-] 25777513 QYAMYRIECBMDCL-RMKNXTFCSA-N 394.475 3.498 5 40 GGBB CC(C)(C)c1ccccc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3367484 WXHFDQKFILQBAM-UHFFFAOYSA-N 380.404 3.241 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 5121350 UIPDQAKUXDBNNV-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 95081640 MJLZHVMMEPRZFS-UHFFFAOYSA-N 386.246 3.414 5 40 GGBB CCNC(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 40071032 IPVAWNWBJFTPDP-UHFFFAOYSA-N 377.784 3.015 5 40 GGBB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020073 SCDPEHFLJKEXLI-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17079283 DHEQNUGUMHJLBH-UHFFFAOYSA-N 388.430 3.340 5 40 GGBB Cc1ccc(NC(=O)Nn2cnc3c(sc4nc5ccccc5n43)c2=N)cc1 4409381 AFVKWMGNMNDZAO-UHFFFAOYSA-N 389.444 3.462 5 40 GGBB CCc1ccc(NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1[N+](=O)[O-] 40115182 ZRIVCYBRDURFEJ-UHFFFAOYSA-N 383.364 3.444 5 40 GGBB COC(=O)c1cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2s1 223251776 OXJRFDMUJFJZTB-UHFFFAOYSA-N 392.414 3.397 5 40 GGBB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 7254357 JPJCTTZWCUCCCJ-IZZDOVSWSA-N 384.388 3.497 5 40 GGBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 12997138 NLTNUXFSQURFGR-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc([N+](=O)[O-])ccc1Cl 409411922 NNTFXMZZJXOSKY-UHFFFAOYSA-N 396.186 3.266 5 40 GGBB O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1[N+](=O)[O-] 4611163 XDEJLEPKSJPIQP-UHFFFAOYSA-N 396.808 3.143 5 40 GGBB O=C(NC(=S)N(CCCCO)C1CCCCC1)c1cccc([N+](=O)[O-])c1 4699482 DJQFZZVYEBAQFE-UHFFFAOYSA-N 379.482 3.017 5 40 GGBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccccc2OCCOc2ccccc2)nc1O 409339680 KMBPPZBJFJCGSF-KHPPLWFESA-N 395.371 3.424 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 36000635 YIFWIYGNJAJPNK-OGXIQJDLSA-N 377.194 3.059 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8412999 WALWQCRSCXVYQT-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 971351 JFGALBCPRSIFCG-QGZVFWFLSA-N 381.388 3.265 5 40 GGBB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 24191523 AEMGAOQRFMCESQ-UHFFFAOYSA-N 389.839 3.357 5 40 GGBB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3449960 NUCLUBPVVSUUPM-LLVKDONJSA-N 387.396 3.434 5 40 GGBB O=[N+]([O-])c1ccc(NCCNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1 9335634 NZTRIFBOPGSEDU-UHFFFAOYSA-N 393.382 3.387 5 40 GGBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 14082000 POYVSIYWNCGODM-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB Cc1cccc(CSCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 14400678 WNZHNDOMWISTOU-UHFFFAOYSA-N 380.491 3.423 5 40 GGBB COC[C@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 12848752 PMOZZCFEHGLUKT-HNNXBMFYSA-N 394.431 3.141 5 40 GGBB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 5414878 WUYPJMOSJRKJJQ-CYBMUJFWSA-N 398.448 3.307 5 40 GGBB CC(C)OC(=O)C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 14376121 GJBRGZRRKCKTQJ-KRWDZBQOSA-N 388.395 3.476 5 40 GGBB CCCn1/c(=N/C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[nH]c2ccccc21 6652225 DKFCFLRUAWFDON-UHFFFAOYSA-N 390.403 3.214 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1c[nH]c2ccccc12 7508136 MVKQUYCVFSBZIO-NSHDSACASA-N 383.360 3.269 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4148345 PXQHXKKSPFXPOP-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB Cc1ccc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1[N+](=O)[O-] 4032920 MKCRXDABXUCWAO-UHFFFAOYSA-N 379.416 3.334 5 40 GGBB Cc1cccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59417125 ABFCLBXVCDXKAG-UHFFFAOYSA-N 398.337 3.496 5 40 GGBB CCOC(=O)C(CC)(C(=O)OCC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2171439 QRVPPUUTKZQQAU-UHFFFAOYSA-N 377.315 3.388 5 40 GGBB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc([N+](=O)[O-])cc1 409170303 UQZXWYCLGDCTGF-UHFFFAOYSA-N 386.389 3.331 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1C 408618513 DDMACMWWOTYVLY-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB COc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)c(OC)c1OC 40105791 IURNCLFFUFIKQP-UHFFFAOYSA-N 376.409 3.131 5 40 GGBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5657995 VWOATUHOIAJERM-RVSPLBMKSA-N 378.425 3.338 5 40 GGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 100837577 GESFOBMJOSOOIB-MJGOQNOKSA-N 387.351 3.041 5 40 GGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 10119895 OLMSMPAHLCEFIQ-UHFFFAOYSA-N 396.388 3.022 5 40 GGBB COc1cc([C@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OC(F)F 54371636 RARBQXGZYXWRAG-HNNXBMFYSA-N 379.319 3.083 5 40 GGBB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 106538878 BZTUWMDCCYHPHH-HUUCEWRRSA-N 391.468 3.149 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 25830427 IOZCGTBTWGXAGK-HNNXBMFYSA-N 392.415 3.033 5 40 GGBB Cc1ccc(NC(=O)COCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4700710 XYKVPEDKFORBPX-UHFFFAOYSA-N 377.784 3.150 5 40 GGBB O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cc(Cl)ccc1O 5752648 CPSXXILRNNETPT-UHFFFAOYSA-N 388.723 3.279 5 40 GGBB O=C(NCCSCc1ccco1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9157896 HPMXKJLYOQIMKA-UHFFFAOYSA-N 389.477 3.454 5 40 GGBB CCc1cc(N2CCCC[C@H]2c2nc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 95467651 QLHBKSHOKGQMHS-INIZCTEOSA-N 379.424 3.464 5 40 GGBB COC(=O)Nc1ccc(CNC(=O)c2cc(SC)ccc2[N+](=O)[O-])cc1 48374107 ZLOPBSWKKGOVJS-UHFFFAOYSA-N 375.406 3.425 5 40 GGBB CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 8335642 MMQXYUQVKRUEFN-SFHVURJKSA-N 380.404 3.478 5 40 GGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc2ccccc12 101344208 DQEHAXPIEWNUFB-HKUYNNGSSA-N 387.351 3.041 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25835540 FCAKQCQIWFAVDJ-ZBFHGGJFSA-N 385.420 3.260 5 40 GGBB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3cccc([N+](=O)[O-])c3)c12 22606789 BFKCMYCFOGCPBG-UHFFFAOYSA-N 399.410 3.456 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 12792292 MQRRUUZTHVIEIV-AWEZNQCLSA-N 394.431 3.374 5 40 GGBB Cc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1-c1ccccc1 6334952 RQIJEOIEWXEVOE-UHFFFAOYSA-N 387.396 3.354 5 40 GGBB O=C(OCc1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5699062 QYWJUCLKVJEABV-UHFFFAOYSA-N 399.428 3.398 5 40 GGBB O=c1nc2c3cc(Br)ccc3nc(S)n2nc1-c1ccccc1 71922018 AEOBAHBQQNJOJT-UHFFFAOYSA-N 385.246 3.356 5 40 GGBB CCN(CCCNC(=O)CCn1ncc2ccc([N+](=O)[O-])cc21)c1ccccc1 32932546 DVMCQEZWMNGIOX-UHFFFAOYSA-N 395.463 3.367 5 40 GGBB CN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)[n+](Cc2ccc([N+](=O)[O-])cc2)s1 4304273 OZJISDKVBNNXLZ-UHFFFAOYSA-N 386.413 3.028 5 40 GGBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc([N+](=O)[O-])c1 6422962 LCXFBZSYYQQMJC-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 32853532 KPNBGBVCNFRAPM-MRXNPFEDSA-N 375.450 3.381 5 40 GGBB CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2cccc([N+](=O)[O-])c2)n1 58163726 DZIUXCMTNXJCPM-UHFFFAOYSA-N 378.385 3.317 5 40 GGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)C2CC2)c1 12691866 XOHOFWVPYZDQGT-UHFFFAOYSA-N 385.445 3.352 5 40 GGBB CCCCn1c(O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(=O)c2ccccc21 4321701 YBWSZEZYFCTYMB-UHFFFAOYSA-N 397.387 3.373 5 40 GGBB O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1cccc(Cl)c1 5322609 IGYWPDBFWALKPM-GOSISDBHSA-N 385.763 3.075 5 40 GGBB COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 4895647 QFJAALVVMXOILP-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB CCc1ccc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 7975300 SKFBICFGYGCELJ-UHFFFAOYSA-N 377.374 3.030 5 40 GGBB CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 95457182 TWOPRFSLJFDUOM-UHFFFAOYSA-N 387.776 3.147 5 40 GGBB COc1ccccc1CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 32777397 IYDUEVUYAAJKPB-UHFFFAOYSA-N 387.417 3.196 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc(C2CC2)n[nH]1 12928816 CAOJVAIVFBNTKQ-UHFFFAOYSA-N 394.356 3.035 5 40 GGBB Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 6442568 OKIPUCLABUCSPD-UHFFFAOYSA-N 398.448 3.364 5 40 GGBB Cc1ccc(C)c(NC(=O)CN(C)CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1 9375924 IVKBEFISSQCHIH-UHFFFAOYSA-N 398.463 3.337 5 40 GGBB Cc1nn(CC(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)c(C)c1[N+](=O)[O-] 6069452 ZDQSGQXFISUDTR-AWEZNQCLSA-N 396.403 3.132 5 40 GGBB Cn1ccnc1Sc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1[N+](=O)[O-] 5267669 JTGFGXZOGVTAAY-INIZCTEOSA-N 381.417 3.334 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1cc(C)n(C)c1C 5688239 DAQFVOXTYSIBFV-UHFFFAOYSA-N 387.436 3.436 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2c(cc1Br)OCCO2 9668227 TWYXUQUNQDZYHI-UHFFFAOYSA-N 379.166 3.381 5 40 GGBB COc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 217944471 XDJKBJFWEDJURA-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)oc2C)n1 10435019 KAECSVVOBSTKSJ-UHFFFAOYSA-N 386.389 3.399 5 40 GGBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 1467343 NUWVXEOVDJQXNS-KRWDZBQOSA-N 376.376 3.114 5 40 GGBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@H]1c1ccccc1 100870322 VPJQCYDGMQGVPP-INIZCTEOSA-N 383.429 3.088 5 40 GGBB O=C(OCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 14906845 BERKTBJPAFCAPB-UHFFFAOYSA-N 376.796 3.442 5 40 GGBB Cc1cc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)ccc1[N+](=O)[O-] 20528460 SDTQLYUTPBLLTK-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Br)cc1 225073419 OYGOPZKMVQFHGZ-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB COc1ccccc1NC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 48367856 WZNJXURHSUOTFZ-UHFFFAOYSA-N 383.448 3.497 5 40 GGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)NCc1ccc(F)cc1 2723731 KOHWBTRIECTXNA-UHFFFAOYSA-N 386.408 3.328 5 40 GGBB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)c1 20154286 URKLCVUBXCCTFO-UHFFFAOYSA-N 384.436 3.044 5 40 GGBB CC(=O)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3302061 CKXKIKXVKMTXKW-UHFFFAOYSA-N 376.752 3.246 5 40 GGBB COc1cc(C(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC(F)F 10808705 QVZLGFMVSYTUAD-UHFFFAOYSA-N 382.275 3.186 5 40 GGBB Cc1csc([C@](O)(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)n1 58780578 JVWVRILSJDVFJZ-CYBMUJFWSA-N 375.328 3.138 5 40 GGBB CCCOc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 4062648 UDTWUYFFIDVMBB-UHFFFAOYSA-N 393.421 3.143 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1Cl 44903093 VCFSXQWBIIZHSZ-UHFFFAOYSA-N 398.824 3.367 5 40 GGBB O=[N+]([O-])c1ccc(-n2nnnc2CN2CCC(Cc3ccccc3)CC2)cc1 4907305 SFVFLPIURSMOJM-UHFFFAOYSA-N 378.436 3.025 5 40 GGBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3260137 QCLVVEIZBHHQAA-YQJFHSMKSA-N 397.387 3.137 5 40 GGBB COc1cc2c(cc1OC)CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC2 2332675 HIUGNPUIPJJTIS-UHFFFAOYSA-N 376.796 3.464 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1C 12922149 JXZCPWFODUYENT-KRWDZBQOSA-N 394.424 3.113 5 40 GGBB O=[N+]([O-])c1ccc(Sc2ccnc(Sc3ccc([N+](=O)[O-])cn3)n2)nc1 2191298 PTUFIIFGDLKSBC-UHFFFAOYSA-N 388.390 3.385 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 10347138 YEKLPMHQDYLCIZ-UHFFFAOYSA-N 380.404 3.126 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)cc([N+](=O)[O-])c1O 4014259 SMAVNPHQCYTAOU-UHFFFAOYSA-N 382.126 3.223 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)c1C 4328998 XOPOVZOMEQYTKA-UHFFFAOYSA-N 387.392 3.155 5 40 GGBB CN1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2[N+](=O)[O-])CC1 72229228 DQRPSGMJSMZTBT-UHFFFAOYSA-N 392.818 3.391 5 40 GGBB CC(C)N(CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)Cc1ccccc1 11035108 HDJRTSSSWBUAGU-UHFFFAOYSA-N 396.491 3.154 5 40 GGBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc([N+](=O)[O-])cc1 6970467 ULEHRCVGCVJIMQ-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB O=C(CSc1n[nH]c(COc2ccccc2F)n1)c1cccc([N+](=O)[O-])c1 409387001 YLMGMTYBTARYAC-UHFFFAOYSA-N 388.380 3.406 5 40 GGBB O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc([N+](=O)[O-])cc1 5187829 PMGHRTCQNIBMCS-MRXNPFEDSA-N 381.171 3.314 5 40 GGBB O=C1N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1cccc(Cl)c1 409094282 DFORFDACZCAVJN-QCDXTXTGSA-N 387.735 3.074 5 40 GGBB CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@@H]41 14858282 JWPAJVNQGTWPMI-WIUDPPPLSA-N 396.395 3.407 5 40 GGBB biogenic,in-vitro O=C(NCCc1csc2nc(-c3cccs3)nn12)c1ccc([N+](=O)[O-])cc1 5166281 IUFKMTAKQIXVER-UHFFFAOYSA-N 399.457 3.400 5 40 GGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])s1 100241467 KXMOEYUSAIPPSB-UHFFFAOYSA-N 380.422 3.017 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCCO2 12825306 AKSYBSLVOBPTPM-UHFFFAOYSA-N 387.392 3.067 5 40 GGBB COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(C)nn1-c1ccccc1 12914978 GTTPCLWAABWRBB-UHFFFAOYSA-N 382.376 3.115 5 40 GGBB Cc1cccc(C)c1N1C(=O)C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C1=O 5324501 JZKZZBZSWQUMNW-FQEVSTJZSA-N 379.372 3.038 5 40 GGBB COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1Cl 8940614 RMMTYURMJNWHBH-UHFFFAOYSA-N 390.776 3.205 5 40 GGBB O=C(NCc1cccc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4902875 BXYGOTAZZQGXMW-UHFFFAOYSA-N 375.812 3.015 5 40 GGBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 9504309 FWTNDYLWYJAODS-UHFFFAOYSA-N 396.447 3.214 5 40 GGBB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)C1 84335138 SWQMUIFVPKMVBN-VIFPVBQESA-N 386.235 3.032 5 40 GGBB Cc1cc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 216930371 NNXVLZPHVKSNTD-UHFFFAOYSA-N 383.448 3.306 5 40 GGBB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1ccc([N+](=O)[O-])cc1 19960174 BFDAIPSDXUGDAZ-UHFFFAOYSA-N 384.355 3.004 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(=O)n(Cc2ccccc2Cl)c1 7574189 OLGBEDBAFZTBDY-UHFFFAOYSA-N 390.808 3.167 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2NC(c1ccccc1)c1ccccc1 59857889 KZDUQTPBURZGLM-UHFFFAOYSA-N 393.424 3.423 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2Br)nn1 32816248 XMGDVUDUOUFWBU-UHFFFAOYSA-N 388.181 3.190 5 40 GGBB O=C(NCCc1ccc(Cl)cc1)c1ccc2nc3ccccc3c(=O)n2c1 57477719 CBWTUIWUHUJXOD-UHFFFAOYSA-N 377.831 3.474 5 40 GGBB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21 4664322 ZXEWWXJSZFWEBU-BDQAWRDZSA-N 396.786 3.208 5 40 GGBB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 4704201 FTUFPVPWASWBKM-GOSISDBHSA-N 390.403 3.422 5 40 GGBB COc1cc(C(=O)N2CCC(Cl)=C(Cl)C2)c([N+](=O)[O-])c(OC)c1OC 95992886 BBPAESHKIFOPRN-UHFFFAOYSA-N 391.207 3.156 5 40 GGBB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=C2/Sc3ccccc3NC2=O)CC1 409094683 GBMLPHDJCJSVKR-CPNJWEJPSA-N 396.472 3.432 5 40 GGBB CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408642011 NEMWVXQFJWEOFE-OAHLLOKOSA-N 381.388 3.097 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNc2ccccc2S(=O)(=O)C(F)(F)F)cc1 32828777 YXCNSAKIOHKNPZ-ZDUSSCGKSA-N 390.339 3.034 5 40 GGBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1OC(F)F 2655573 RGAUALFLGLGFLP-MDZDMXLPSA-N 392.314 3.391 5 40 GGBB C[C@@H]1CCCCN1S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl 4708639 ROQPFFLAPJNNJE-GFCCVEGCSA-N 391.880 3.064 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 32097935 MLBUIGCIMCCLIG-UHFFFAOYSA-N 375.410 3.030 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 101571355 JMSPQKACFXPNNY-UHFFFAOYSA-N 396.699 3.326 5 40 GGBB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6615257 WUVBGJSECLWTRQ-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 8197627 GRQDBGVUEZEAPI-LBPRGKRZSA-N 391.449 3.232 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(I)cn1 105867171 DTUPOPDDZMRVDJ-QPJJXVBHSA-N 395.156 3.246 5 40 GGBB CC(=O)N1CCc2cc(NC(=O)CNc3ccc(Cl)c([N+](=O)[O-])c3)ccc21 12777218 DSFFJSNFFUYJMH-UHFFFAOYSA-N 388.811 3.208 5 40 GGBB COc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)[nH]c2c1 7344087 YZWVQEBOBWVKDV-UHFFFAOYSA-N 388.405 3.219 5 40 GGBB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 7881662 VDHXLVWYYBLPBJ-MAUKXSAKSA-N 396.399 3.152 5 40 GGBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCOCC1 25514812 USPWFJXZYJSGPH-HNAYVOBHSA-N 384.436 3.178 5 40 GGBB Cc1cc(C)c2c(OCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)nn(C)c2n1 58307391 ZKEHVQZLWITMKQ-AWEZNQCLSA-N 397.435 3.092 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](C(F)(F)F)C1 36389911 FXAMDOVJVBRSEN-MNOVXSKESA-N 375.347 3.205 5 40 GGBB CCOc1ccccc1[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408564897 GGAROIMYLXVQCD-UFGBVDADSA-N 393.443 3.140 5 40 GGBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1CCCn1ccnc1 4741985 UPJYPWGUZFINAS-UHFFFAOYSA-N 392.371 3.270 5 40 GGBB CCN(CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 9157855 RWULJHHBRYGIAU-UHFFFAOYSA-N 385.420 3.012 5 40 GGBB COc1ccc([C@H](OC)[C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 95983642 NSHPHDPPDLSCNY-ORAYPTAESA-N 387.436 3.175 5 40 GGBB Cc1c(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cccc1[N+](=O)[O-] 4377285 YKYQOPGVWFYDHT-UHFFFAOYSA-N 399.384 3.158 5 40 GGBB COc1cccc(C(=O)CCc2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])c1 1667665 XRBYYTGHZZIUPW-UHFFFAOYSA-N 375.377 3.445 5 40 GGBB COc1cc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 2626825 IVWHZRPWWHRQGG-UHFFFAOYSA-N 378.406 3.351 5 40 GGBB O=C(Nc1ccc(OC(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895756 YHIXQPJEDRJTQS-UHFFFAOYSA-N 393.346 3.285 5 40 GGBB Cc1c([C@@H](C)N2CCN(c3ccc(CN(C)C)cn3)CC2)cccc1[N+](=O)[O-] 97165312 VOESXDMJAOVBNY-QGZVFWFLSA-N 383.496 3.243 5 40 GGBB CCCCn1c(O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)c2ccccc21 95347225 ABHXLZDYRXEBQI-UHFFFAOYSA-N 397.387 3.373 5 40 GGBB CN(C)C(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 5508927 DTLWOBZDDONZIP-UHFFFAOYSA-N 389.367 3.250 5 40 GGBB Cn1nc(-c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)ccc1=O 10324986 MWJIQNMMKUYFMS-UHFFFAOYSA-N 384.779 3.261 5 40 GGBB Cc1cc2nnc(Sc3ccc(C(N)=O)cc3[N+](=O)[O-])n2c2ccccc12 7982241 MSOHXFIRAGUNQS-UHFFFAOYSA-N 379.401 3.349 5 40 GGBB CC(=O)c1ccc(N2CCC(C(=O)Nc3ccccc3O)CC2)c([N+](=O)[O-])c1 12564772 HVPVZFJLEGZMGO-UHFFFAOYSA-N 383.404 3.358 5 40 GGBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2247545 PFPPQKUTROBNKW-OAHLLOKOSA-N 391.475 3.438 5 40 GGBB COc1cc(NC(=O)COC(=O)c2ccc(F)cc2Cl)c(C)cc1[N+](=O)[O-] 4915259 YGZAQIGRPPPRKL-UHFFFAOYSA-N 396.758 3.500 5 40 GGBB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@]2(O)C(F)(F)F 409182972 PUGVFGUSJJPJMY-ZXIHIIQKSA-N 385.342 3.023 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)CNC2=NC=N[C@@H]3SC=C(c4ccccc4)[C@@H]23)cc1 226981171 WMVAHRNVLNIZOC-WSTZPKSXSA-N 394.456 3.388 5 40 GGBB NC(=O)c1cc2cc([N+](=O)[O-])ccc2o/c1=N\c1cccc(Br)c1 4615076 QALNXKUTDYAZQV-MNDPQUGUSA-N 388.177 3.435 5 40 GGBB CCc1ccccc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 8416544 YQRDNRZQTGNGNJ-UHFFFAOYSA-N 399.403 3.058 5 40 GGBB CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1C 27746700 MLIUHDOARRHEMY-UHFFFAOYSA-N 398.375 3.369 5 40 GGBB COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccco4)nc3oc2c1 2232227 GMHPGSPBKOBGJR-UHFFFAOYSA-N 390.351 3.413 5 40 GGBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OC 15760061 XMXWKPVJWHECOI-UHFFFAOYSA-N 399.403 3.163 5 40 GGBB C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 222656165 DPNIPMTUMMZBIE-CYBMUJFWSA-N 388.445 3.477 5 40 GGBB O=C(NCc1ccco1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 825062 QGFMDEHDOOTLKD-CPNJWEJPSA-N 391.383 3.275 5 40 GGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 14009714 GDTZBTWYUGROKJ-UHFFFAOYSA-N 380.223 3.484 5 40 GGBB Cn1cc(Cc2cccc([N+](=O)[O-])c2)c(=O)c(Cc2cccc([N+](=O)[O-])c2)c1 1621801 IFKYWRZEUHGOTD-UHFFFAOYSA-N 379.372 3.383 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O 844883 DKCYVCFUFZBAOZ-UHFFFAOYSA-N 388.335 3.332 5 40 GGBB CCC(CC)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 12561766 FIVLSSMMUUMKDC-GOSISDBHSA-N 383.514 3.311 5 40 GGBB CCOc1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 3238956 IBOIQJQXSMGXLA-UHFFFAOYSA-N 388.376 3.188 5 40 GGBB CCOc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 8349848 XUPBCMRZMQGRHM-CQSZACIVSA-N 395.419 3.407 5 40 GGBB Cc1cc(N2CCOCC2)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 33186099 HMSCYTILMHMNQH-UHFFFAOYSA-N 387.461 3.471 5 40 GGBB CCOC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39761595 NXEIYXKNEUJSRN-UHFFFAOYSA-N 397.347 3.466 5 40 GGBB Cc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220133565 NKXXHNJAVVLFJE-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224977310 MMJVRMLVIJJXBH-IAGOWNOFSA-N 397.475 3.469 5 40 GGBB COc1cc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OC(C)C 13632163 NMFXJBOBQVUOJL-UHFFFAOYSA-N 394.449 3.178 5 40 GGBB O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])ccc1O 1634305 UNPVQOIEQQBGHB-UHFFFAOYSA-N 384.129 3.157 5 40 GGBB CCc1noc([C@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 32755532 XKSFLZZLOZRNHM-NSHDSACASA-N 399.373 3.442 5 40 GGBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1ccccc1Cn1ccnc1 25614347 JNQWULJIRBMUAZ-UHFFFAOYSA-N 393.447 3.348 5 40 GGBB Cc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1[N+](=O)[O-] 58292216 QTHDFHOVZCJZGB-UHFFFAOYSA-N 380.404 3.024 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc([N+](=O)[O-])c1 13001855 FYKFQTBBETUYNF-UHFFFAOYSA-N 397.391 3.349 5 40 GGBB Nc1nc(N2CCCCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 5025618 AFGLPYMGOKPFMT-UHFFFAOYSA-N 396.495 3.416 5 40 GGBB Cc1cc(O)nc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 408541212 CAWBNRAKJDDAKP-UHFFFAOYSA-N 389.220 3.436 5 40 GGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc[nH]1 5224644 ODWMBXIWHDKELY-VIFPVBQESA-N 385.298 3.168 5 40 GGBB CNc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 5363783 QQELIWUFXNNPQF-UHFFFAOYSA-N 397.309 3.451 5 40 GGBB CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c([N+](=O)[O-])nn(C)c(=O)c21 5415331 PBERWSCWYDTVLM-UHFFFAOYSA-N 396.407 3.224 5 40 GGBB aggregator C[C@H](OC(=O)c1c(F)cc(N)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 72312510 KZOCFNOIISXZCQ-QMMMGPOBSA-N 390.302 3.423 5 40 GGBB Cc1ccccc1-c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 30910920 VOPWNMIWUYTXMX-UHFFFAOYSA-N 379.420 3.275 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C 6963848 SZRJBFHAGWXRFR-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 7759225 VWFHKASCKGEFBX-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC1CCCCC1 20051762 DNGQAGGXNJSHGI-UHFFFAOYSA-N 379.464 3.045 5 40 GGBB O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)c1ccc2c(c1)OCO2 17179988 PKJSPXBXXZUTMC-UHFFFAOYSA-N 384.373 3.018 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 5644382 VIIORNIFDWPICK-KRWDZBQOSA-N 382.372 3.366 5 40 GGBB COc1cc(OCC(=O)Nc2ccccc2Br)ccc1[N+](=O)[O-] 22259433 JVPISRQXVUMBBP-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 225082696 QHMMEQKJITVZBM-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)NCCc1ccccc1 2723732 HKNHXAMZRVVAJN-UHFFFAOYSA-N 382.445 3.232 5 40 GGBB COc1cccc(N2C(=O)[C@@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=O)c1 4738656 NTCOJIHGJQECCC-RDJZCZTQSA-N 385.401 3.186 5 40 GGBB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 2419927 FGXSMFVWULICHJ-UHFFFAOYSA-N 392.459 3.385 5 40 GGBB COc1cc(Cl)nc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 3015130 BUXFAUVVHWJMAN-UHFFFAOYSA-N 384.735 3.001 5 40 GGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 7881657 DUBXIDAQHXLFLB-ZBFHGGJFSA-N 396.399 3.071 5 40 GGBB O=C(c1ccccc1F)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 5181421 BXUQYZCQRAEVBP-UHFFFAOYSA-N 386.408 3.306 5 40 GGBB Cc1ccc2c(c1)C(=O)N(CCC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1)C2=O 27917783 YOIRAKZIXGYBTR-ZDUSSCGKSA-N 382.372 3.194 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Br)cc1 1716345 YLWFQXROUIJLTA-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(-n2ccnc2)cc1 20451450 MVNOTLUZWUSMBQ-UHFFFAOYSA-N 382.445 3.330 5 40 GGBB COc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCC2)cc1 12878132 AWXGPDCVNHOTIU-IBGZPJMESA-N 383.448 3.479 5 40 GGBB CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)nn23)c1C 6634499 OGFATGDUHCGNFY-UHFFFAOYSA-N 391.391 3.082 5 40 GGBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811485 HYBZDIFICABKRU-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 225039519 ISKKSGVCZUWTEX-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB O=c1nc2c3ccccc3nc(CN3CCCCC3)n2nc1-c1ccc(F)cc1 585157956 WLMYGPBSNZJMDD-UHFFFAOYSA-N 389.434 3.430 5 40 GGBB CC(C)Oc1ccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20493792 DMTSNBLUNQYTMM-UHFFFAOYSA-N 392.477 3.434 5 40 GGBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 25325841 AHLUVCHTHNOLTQ-HNNXBMFYSA-N 395.868 3.113 5 40 GGBB O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1 1807601 CCMSXWWGIXIUJU-UHFFFAOYSA-N 381.388 3.390 5 40 GGBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1OC 13001054 KRSFKHGEZHZEDY-UHFFFAOYSA-N 399.403 3.381 5 40 GGBB Cc1nn(CC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)c(C)c1[N+](=O)[O-] 7427412 VDJKNBMWTOJKCD-UHFFFAOYSA-N 378.454 3.015 5 40 GGBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 225237349 VTTOCWHAXMRTSM-UHFFFAOYSA-N 395.250 3.465 5 40 GGBB COc1ccccc1OCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 223408115 RRTGUCMTMWMEIW-UHFFFAOYSA-N 376.434 3.032 5 40 GGBB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 195532228 UFYIEKJQBYEGCH-DHUIEDIVSA-N 387.480 3.376 5 40 GGBB O=c1c2ccccc2[nH]c2ccc(OCc3cc(=O)n4ccsc4n3)cc12 12521513 OMIVHEVQTFNZAE-UHFFFAOYSA-N 375.409 3.330 5 40 GGBB COC(=O)[C@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 33789961 AQKVNZQPPMGCCU-MYUHQCNJSA-N 386.448 3.111 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 16695034 OICYYRJLNSLGTB-HNNXBMFYSA-N 380.448 3.428 5 40 GGBB C[C@@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101648278 HJRAEQKPMOWDLT-FPCVCCKLSA-N 384.436 3.382 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3nc2Cl)cc1 3079737 MZCJTVSTFDSQHJ-UHFFFAOYSA-N 378.797 3.301 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1nn(-c2ccc(F)cc2)ccc1=O 6758677 UUXGEWIRAUDCKG-UHFFFAOYSA-N 388.742 3.186 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 15360753 KDNMAMVRNLBFNS-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB Cc1ccccc1NC(=O)c1nn(C)c(C(=O)Nc2ccccc2C)c1[N+](=O)[O-] 857671 YQEXMPDEUMOUSR-UHFFFAOYSA-N 393.403 3.450 5 40 GGBB Cc1cc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)ccc1[N+](=O)[O-] 12730062 DOIPHRKTUJKUCS-CHWSQXEVSA-N 390.465 3.221 5 40 GGBB CCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409231620 DFVRBKFGLLGBFZ-OQLLNIDSSA-N 397.387 3.095 5 40 GGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4477699 XFIQVDHKHJHVDV-QGZVFWFLSA-N 377.759 3.355 5 40 GGBB CC(C)(C)NS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 84199609 ARZYNIWWDDXLFY-ZFWWWQNUSA-N 399.513 3.025 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc(C)c2C)CC1=O 408672624 VQMFQNBPLWCDQH-CQSZACIVSA-N 384.388 3.179 5 40 GGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)COc1ccccc1 408626844 IUVPUFZBDASMLA-UHFFFAOYSA-N 379.825 3.449 5 40 GGBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 225039091 OCDUJHFHKYZPAQ-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 14404559 DQGZNZGCMAHKJS-UHFFFAOYSA-N 379.376 3.439 5 40 GGBB O=C(Nc1cc(F)ccc1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187954 KIGUDAISIQOYRA-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)[C@H](c2ccccc2)S(=O)(=O)N2CCCCC2)cc1 1717718 OMCFOPZCPDRAMX-OALUTQOASA-N 390.461 3.185 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1 2622624 RCKDEBFNVWUISE-GFCCVEGCSA-N 376.438 3.438 5 40 GGBB CCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 52410779 GQXFKUUCNNMRMW-UHFFFAOYSA-N 398.419 3.032 5 40 GGBB O=C(Nc1ccc(N2CCCC2)nc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 46762909 MVGXEJKUIUCYSD-UHFFFAOYSA-N 378.392 3.028 5 40 GGBB Cc1ccc(C2=N/C(=C\c3ccc(N4CCOCC4)s3)C(=O)O2)cc1[N+](=O)[O-] 14180546 CJDRZIVZFNYHGD-PTNGSMBKSA-N 399.428 3.146 5 40 GGBB Cc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1[N+](=O)[O-] 408573861 PCVWHBNMHFUAAF-UHFFFAOYSA-N 387.446 3.343 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 7928414 WFUBVQCUKHMWSC-NSHDSACASA-N 389.795 3.248 5 40 GGBB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 32797396 GWECAGULDHMXTF-CYBMUJFWSA-N 398.419 3.169 5 40 GGBB O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cnn(Cc3ccc4c(c3)OCO4)c2N1 12428887 QTEFKPLDRYBVCM-OAHLLOKOSA-N 392.371 3.042 5 40 GGBB Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 408620535 JXCHHXNGJFKOOG-UHFFFAOYSA-N 399.476 3.415 5 40 GGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1 5603883 QQURODRIYDIINK-CAZKKTPXSA-N 396.402 3.472 5 40 GGBB CC(=O)N1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 14064708 GDQYHZZVZRDPGT-UHFFFAOYSA-N 399.472 3.359 5 40 GGBB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)c12 7424027 YIVBRDCRZBQARO-UHFFFAOYSA-N 389.371 3.183 5 40 GGBB C[C@H](NC(=O)c1ccccc1Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 2794313 KHOJTUPLTBXDMC-ZDUSSCGKSA-N 394.387 3.059 5 40 GGBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OC 24571568 NUMYXHMDIXLNTJ-UHFFFAOYSA-N 382.376 3.440 5 40 GGBB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)cc1 54295101 SLPVSXHFJQTIIZ-UHFFFAOYSA-N 381.432 3.437 5 40 GGBB COc1ccccc1C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1280207 XIWANMGLUDQWRR-MRXNPFEDSA-N 384.452 3.379 5 40 GGBB biogenic Cc1ccc(S(=O)(=O)/C(=C/Nc2ccc(C(F)(F)F)cn2)[N+](=O)[O-])cc1 5363319 UHAPVCFBFHSIRT-NTEUORMPSA-N 387.339 3.370 5 40 GGBB O=[N+]([O-])c1cccnc1Sc1n[nH]c(-c2cc(Br)ccc2O)n1 408608968 XYOYHGUPZBNKQM-UHFFFAOYSA-N 394.210 3.394 5 40 GGBB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 15359458 KQETULWJOHFKBX-CYBMUJFWSA-N 382.463 3.363 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1 6477600 WHAFABASNHFCPR-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1 33406462 LUXNFPDWFZDOAP-NTMALXAHSA-N 395.371 3.142 5 40 GGBB COc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)cc1OC 408530595 JVQUBKHYMVQNMS-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB Cc1c(C(=O)NC[C@H](O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 4700495 FPBYXRDTGBHNTN-INIZCTEOSA-N 386.448 3.370 5 40 GGBB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 5699949 KHVYIHDNHLXYNK-UHFFFAOYSA-N 396.447 3.180 5 40 GGBB CCOC(=O)N1CCN(C(=S)Nc2cc3ncccc3c3cccnc23)CC1 6711798 YOCVAPISWXINCU-UHFFFAOYSA-N 395.488 3.254 5 40 GGBB COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] 32763304 ALWWLYZBBPGRHR-HNNXBMFYSA-N 375.450 3.232 5 40 GGBB CN1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2OCCCN2Cc2ccccc2)CC1 59489911 KGDZDPMEOKKUKE-QFIPXVFZSA-N 396.491 3.268 5 40 GGBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cscn2)cc1 15835188 YQUFITGWYZKRQB-UHFFFAOYSA-N 398.444 3.472 5 40 GGBB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627201 LEYWSUMTBTZMTI-UHFFFAOYSA-N 388.424 3.461 5 40 GGBB O=C(NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408628353 ROPLCTJKBKUVES-UHFFFAOYSA-N 388.424 3.461 5 40 GGBB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)c1 409127486 CZFOGEOWNOOMSO-UHFFFAOYSA-N 399.432 3.135 5 40 GGBB COc1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 225015101 XUYSZJAGJVGPOG-UHFFFAOYSA-N 386.813 3.091 5 40 GGBB O=c1c2c3nc4ccccc4nc3n(C[C@@H]3CCCO3)c2ncn1-c1ccccc1 5234799 VPGFQSLIFFNKGP-INIZCTEOSA-N 397.438 3.463 5 40 GGBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1c[nH]c2ccccc12 21421169 PJEKHQHYVLYTPA-NSHDSACASA-N 396.355 3.276 5 40 GGBB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 29889405 SPUVWBIPUVYTTR-AWEZNQCLSA-N 375.425 3.131 5 40 GGBB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 11001947 CXMCSVXCGCUJPD-FMQWLBJXSA-N 379.416 3.485 5 40 GGBB CCCCOc1ccccc1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 5250190 HQEFTROGTRPEJT-UHFFFAOYSA-N 375.406 3.335 5 40 GGBB Cc1ccc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 12522687 GMMRESBYQGMCTN-UHFFFAOYSA-N 398.415 3.088 5 40 GGBB CCOC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 13647859 KPNCKCCVMCYHJY-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 22009531 CTBXIEVDKDEAQI-HNNXBMFYSA-N 396.447 3.152 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])o1)Nc1ccccc1I 8772489 JZEIECUKKYUDNY-FNORWQNLSA-N 384.129 3.444 5 40 GGBB Cc1cc(O)ccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 95470910 RHNFSJJZOHWUBP-UHFFFAOYSA-N 393.311 3.471 5 40 GGBB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cc([N+](=O)[O-])ccc1O 12436817 QMMFJHJYOSUDJL-MDWZMJQESA-N 389.161 3.407 5 40 GGBB COc1cc2c(=O)oc(-c3ccc(Cl)c([N+](=O)[O-])c3)nc2c(OC)c1OC 2564936 BTPIXVNOHPLOJM-UHFFFAOYSA-N 392.751 3.442 5 40 GGBB CCN1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 6517631 KRXIBUOHYRERDQ-IZZDOVSWSA-N 380.448 3.389 5 40 GGBB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 103028983 UFYIEKJQBYEGCH-HLLQZAQXSA-N 387.480 3.376 5 40 GGBB COc1ccc(C[C@@]2(C)OC(c3ccc(C)c([N+](=O)[O-])c3)=NN2C(C)=O)cc1 1313220 LAOLHNJKEZIXNU-HXUWFJFHSA-N 383.404 3.411 5 40 GGBB Cc1cc(S(=O)(=O)N[C@@H](C)Cc2nc3ccccc3s2)ccc1[N+](=O)[O-] 84101511 YAUIQYHGZFIWJZ-LBPRGKRZSA-N 391.474 3.422 5 40 GGBB O=C(O)c1cc([N+](=O)[O-])ccc1N1CCN(c2nsc3ccccc23)CC1 408712730 LQRVLFBQMQPASI-UHFFFAOYSA-N 384.417 3.229 5 40 GGBB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 47524096 LTFJJSCZXACAJW-UHFFFAOYSA-N 383.832 3.378 5 40 GGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(F)cc1 17076928 DQXKIJCTMLYHGS-UHFFFAOYSA-N 376.394 3.470 5 40 GGBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1 2463270 BRBTWTAMGKUGRC-XHDPSFHLSA-N 389.433 3.195 5 40 GGBB CCCCOC(=O)c1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 3014284 ZYPRETFUVWHRII-UHFFFAOYSA-N 397.387 3.217 5 40 GGBB N=c1c2sc3nc4ccccc4n3c2ncn1NC(=O)Nc1ccccc1 4649542 AHGVGWZVEHFWQH-UHFFFAOYSA-N 375.417 3.154 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc([N+](=O)[O-])c1 6988252 FLRHTRAFPFLXQX-UHFFFAOYSA-N 397.387 3.151 5 40 GGBB CCC(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39767760 RGQJVASOXBZXJF-UHFFFAOYSA-N 381.348 3.246 5 40 GGBB COC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 4852821 IWBYQUPXGJMTKN-DNVCBOLYSA-N 383.360 3.151 5 40 GGBB Cc1cccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)c1[N+](=O)[O-] 12815234 IYZJRUVQTMRFII-UHFFFAOYSA-N 377.404 3.333 5 40 GGBB O=[N+]([O-])c1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1 17079054 LWOYQAGJMGJUNE-UHFFFAOYSA-N 387.359 3.155 5 40 GGBB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 6899433 BZTUWMDCCYHPHH-CABCVRRESA-N 391.468 3.149 5 40 GGBB CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 15816534 YMAWGQOKSIWAIC-AWEZNQCLSA-N 391.468 3.291 5 40 GGBB C[C@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C(=O)NC12CC3CC(CC(C3)C1)C2 7168456 ZIBOBOGBQGBJCA-FXNUFDLYSA-N 388.420 3.218 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 3383703 BUGDOVCXSZTCOD-UHFFFAOYSA-N 379.166 3.153 5 40 GGBB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc([N+](=O)[O-])c1 3311950 RJRBHBKXLRGBCB-UHFFFAOYSA-N 375.690 3.067 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1C 6047648 ZRTFNFNZSJOQOW-UHFFFAOYSA-N 393.783 3.191 5 40 GGBB Cc1cccc(OCCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)c1 32777390 DNCBRRCJPVVQDX-UHFFFAOYSA-N 387.417 3.332 5 40 GGBB COC(=O)C1=C2CCC3=C2[C@]2(C1)C(=O)[C@H]1C[C@H]4[C@]2(C)[C@@H](CC3)C[N@+]4([O-])C[C@@H]1C 1077995403 KGESJSJJGMUDSQ-VWCPYCRCSA-N 383.488 3.288 5 40 GGBB biogenic O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCCc1c[nH]c2ccccc12 2561668 JJWOLLVCRHIMLN-AATRIKPKSA-N 379.372 3.177 5 40 GGBB CCC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062417 WRQCDUYXUQPYQL-UHFFFAOYSA-N 381.348 3.246 5 40 GGBB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 13020476 LJAQYLUGPLTTMO-ZDUSSCGKSA-N 376.434 3.140 5 40 GGBB COc1cccc(N2C(=O)[C@@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=O)c1 4738655 NTCOJIHGJQECCC-DOTOQJQBSA-N 385.401 3.186 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 7928291 QPRSMVXWWUZORP-LLVKDONJSA-N 389.795 3.248 5 40 GGBB CCOC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])c3nsnc3c2)cc1 95458620 VYBUBZAFKLKKMT-UHFFFAOYSA-N 387.377 3.420 5 40 GGBB Cc1csc(NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 33000719 NQLUUFJFFRSSKD-CYBMUJFWSA-N 396.856 3.406 5 40 GGBB O=C(c1ccccc1)[C@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 5722529 HJNBJRGJCGJFHU-UGKGYDQZSA-N 388.379 3.401 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438632 GGLRVPQLWMZPDJ-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB CCn1/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)sc2cc3c(cc21)OCCO3 12063570 GLEHKNBTRCSNDH-VHEBQXMUSA-N 385.401 3.143 5 40 GGBB CCc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 8902552 LCBDMAKQZLLYPQ-UHFFFAOYSA-N 385.420 3.011 5 40 GGBB COC(=O)COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 55906952 OAXIEIPQKFFZNO-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccccc2Cl)CC1 13056249 BKKJCRNTEGYJRY-UHFFFAOYSA-N 388.855 3.317 5 40 GGBB O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 7525343 OUHANKHKGJSSRO-UHFFFAOYSA-N 389.427 3.395 5 40 GGBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCCN1CCOCC1)CO2 6662339 JVZMPEDGLSIPEH-UHFFFAOYSA-N 394.471 3.129 5 40 GGBB Nc1c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cccc1[N+](=O)[O-] 96012016 XQSQQLAGPSHVAX-UHFFFAOYSA-N 388.383 3.284 5 40 GGBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 1439784 ISHFCEBZWJUYLA-KRWDZBQOSA-N 378.344 3.099 5 40 GGBB CC(C)C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 6560790 JXTRTBSBVXARRG-SFHVURJKSA-N 396.399 3.349 5 40 GGBB CS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 9136808 ZAIAIEOQJQXVRS-UHFFFAOYSA-N 392.418 3.252 5 40 GGBB CNS(=O)(=O)c1ccc(Nc2cnn(CC(C)C)c2C(C)C)c([N+](=O)[O-])c1 95452083 RLXKXFJFQZDMOP-UHFFFAOYSA-N 395.485 3.222 5 40 GGBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224095959 GQCIKWJEFMGYHB-GOSISDBHSA-N 383.448 3.081 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1oc2ccccc2c1C 5311068 TYMYAUQBYZEWNE-UHFFFAOYSA-N 384.344 3.454 5 40 GGBB COc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1OC 40001148 PQXDGZMHFPJRGK-INIZCTEOSA-N 388.424 3.036 5 40 GGBB O=C(O)c1ccc(S(=O)(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 4276810 NGZIKFIAUWCONG-UHFFFAOYSA-N 376.173 3.433 5 40 GGBB CCc1ccccc1N1C[C@H](C(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 7881979 VRESYRAAOWVYOV-CQSZACIVSA-N 383.404 3.157 5 40 GGBB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 29890029 SNIMAYRIQPGCAT-UHFFFAOYSA-N 375.425 3.131 5 40 GGBB COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280194 RNOZTLYDXPLCLN-MSOLQXFVSA-N 386.468 3.230 5 40 GGBB biogenic CC[C@H](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 24754684 VBDIPNFYUAFAEU-UGSOOPFHSA-N 396.399 3.349 5 40 GGBB Cc1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c([N+](=O)[O-])n1 5259839 XZNXDCSOUIZXQR-UHFFFAOYSA-N 381.841 3.239 5 40 GGBB O=C(CN1CCc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 5897129 SWESZJFPXCZURK-UHFFFAOYSA-N 376.210 3.359 5 40 GGBB CCOC(=O)c1cccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1C 20455556 QMRPQMILNUKEMA-UHFFFAOYSA-N 378.406 3.022 5 40 GGBB NC(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 7238994 LIFKXBODIKEQDV-UHFFFAOYSA-N 394.353 3.039 5 40 GGBB Cc1ccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 409237144 JOYCVYMKKAYVTF-VGOFMYFVSA-N 387.779 3.355 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ncc(C(F)(F)F)cc2Cl)cc1 24527621 UKEKRUWTNRFOOU-OLZOCXBDSA-N 391.733 3.168 5 40 GGBB Cc1cccc2c1[nH]c1nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12 4903587 PLESXKNLVKTHRV-UHFFFAOYSA-N 394.416 3.454 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C)cc1[N+](=O)[O-] 16122689 CELYRKMCLBBHEF-UHFFFAOYSA-N 391.449 3.313 5 40 GGBB O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2cc[nH]c2c1 13576999 GTBNUEKOXUHMBZ-UHFFFAOYSA-N 395.371 3.221 5 40 GGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)cc1F 12776698 OBATZHKXOPTIID-UHFFFAOYSA-N 393.711 3.235 5 40 GGBB O=C(c1ccncc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3991839 LMYQCQKUPQYQBM-UHFFFAOYSA-N 383.385 3.022 5 40 GGBB C[C@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4505910 URGXKPRVYKIAEA-NSHDSACASA-N 391.811 3.498 5 40 GGBB CC[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290746 YPHJEYUPYAPKNM-LJQANCHMSA-N 399.499 3.360 5 40 GGBB COc1cc(NC(=O)CSc2[nH]nc(C)c2[N+](=O)[O-])c(OC)cc1Cl 4872915 MZJUPFPAWGTBCP-UHFFFAOYSA-N 386.817 3.028 5 40 GGBB O=C(CSc1nc(-c2cccnc2)n[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4902541 QZHZFYSWPDMKKO-UHFFFAOYSA-N 390.812 3.159 5 40 GGBB Cc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 8415987 WKGUCIDLTCWISG-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB CC(C)(C)OC(=O)n1nc(I)c2cccc([N+](=O)[O-])c21 89195760 QDOOYZYTDMKDAO-UHFFFAOYSA-N 389.149 3.332 5 40 GGBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1ccncc1)CCC2 5264216 AGTGGHTYIHICNU-UHFFFAOYSA-N 394.456 3.376 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3ccco3)cs2)CC1 23137286 VOZPZVLVUBADQN-UHFFFAOYSA-N 398.444 3.269 5 40 GGBB CCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nn1-c1cccc([N+](=O)[O-])c1 3307081 CNUSXIKNHPPSQJ-UHFFFAOYSA-N 395.371 3.395 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 24976089 NOAJAXQTPVHVHY-HNNXBMFYSA-N 391.449 3.217 5 40 GGBB CCOC(=O)c1sc(NC2CCCC2)nc1Cn1nc(C)c([N+](=O)[O-])c1C 36613081 PIWNYNBKQKUIGJ-UHFFFAOYSA-N 393.469 3.444 5 40 GGBB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)C1 64997272 SWQMUIFVPKMVBN-SECBINFHSA-N 386.235 3.032 5 40 GGBB O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611788 OYEWJSOTAUNBHE-UHFFFAOYSA-N 375.812 3.266 5 40 GGBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1cccc([N+](=O)[O-])c1 408532210 PXWXWHBSUVZNJI-UHFFFAOYSA-N 381.392 3.419 5 40 GGBB CC(C)COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 408629130 ZUVQLCDKRCUDGU-UHFFFAOYSA-N 388.449 3.261 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 19927506 WZOZBGYVFAPGTE-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB CCCC[C@@H](CC)CN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)O 5258394 LZVKCQWEOXLAKJ-RHSMWYFYSA-N 379.457 3.491 5 40 GGBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCOCC1 25514820 USPWFJXZYJSGPH-KXBFYZLASA-N 384.436 3.178 5 40 GGBB O=Cc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c([N+](=O)[O-])c1 1505840700 RZHGJZJMRQJZES-UHFFFAOYSA-N 390.783 3.296 5 40 GGBB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224743589 HOWHKXQXEHTZSK-KRWDZBQOSA-N 397.475 3.389 5 40 GGBB COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 14831627 KLCQAYLSRVCXGH-FMIVXFBMSA-N 383.404 3.013 5 40 GGBB C[C@H](OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 21134281 AUQBXPFGEPONET-STQMWFEESA-N 380.466 3.456 5 40 GGBB O=C(Nc1ccccc1OC(F)F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 9048979 RWCFFORJIWRDJF-UHFFFAOYSA-N 375.291 3.029 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103149169 JMKYASHNZLWNNN-YRXWBPOGSA-N 394.383 3.362 5 40 GGBB CCn1cc([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)n1 2731166 SVSPELRQNSLOSC-UHFFFAOYSA-N 396.436 3.318 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 22959932 KKUJIDPWVVVTKX-UHFFFAOYSA-N 391.449 3.232 5 40 GGBB CCCn1c(Sc2ncc([N+](=O)[O-])c(NC3CC3)n2)nc2ccccc2c1=O 26691553 UNDLUNJITZNRKW-UHFFFAOYSA-N 398.448 3.230 5 40 GGBB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 4807322 LTLDWCWBYOSVJW-UHFFFAOYSA-N 396.758 3.256 5 40 GGBB COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 8981343 HDOXVBHBNSGXFO-UHFFFAOYSA-N 391.811 3.267 5 40 GGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 15197251 HMDXUSVCZFNHBH-SNVBAGLBSA-N 382.825 3.143 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223433220 BKRWJKUKTNUONA-UHFFFAOYSA-N 392.433 3.292 5 40 GGBB O=C(COC(=O)c1csc([N+](=O)[O-])c1)Nc1ccc(N2CCCC2)cc1 51672250 PAFVFHYFWJARSI-UHFFFAOYSA-N 375.406 3.052 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)c([N+](=O)[O-])c1 6501725 DBVPREJKGNIFMZ-UHFFFAOYSA-N 380.303 3.300 5 40 GGBB COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1Br 6846875 UUAMSJWVNCKGKI-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB Cc1cc(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])cc1C 6201625 MLNSCMUHMKWIII-VOTSOKGWSA-N 399.359 3.315 5 40 GGBB O=c1c2ccccc2nc2c(-c3nc(-c4ccc5c(c4)OCO5)no3)cccn12 21730380 DMGQHQHAVPUXHX-UHFFFAOYSA-N 384.351 3.293 5 40 GGBB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 40017239 IBBNEGGNMPCQHG-UHFFFAOYSA-N 380.404 3.092 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2C12CC2 101359168 FFAHMWNZQNAWQE-JYILRKAJSA-N 389.205 3.059 5 40 GGBB O=C(NC(=S)Nc1ncccc1O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33739869 XBUHONICXQDCEJ-UHFFFAOYSA-N 384.373 3.082 5 40 GGBB O=c1[nH]c(/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c([N+](=O)[O-])c(=O)[nH]1 8377684 YEFIHBAQHNAKFL-GORDUTHDSA-N 377.715 3.194 5 40 GGBB COc1cc(OC)cc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)c1 4070420 HWYPOUGTAYDTKU-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB O=C(Cc1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 854854 YVIYXAWGHKLXGX-QGZVFWFLSA-N 393.321 3.133 5 40 GGBB COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 1279989 NDEKLSGDZJXAAG-BRWVUGGUSA-N 392.516 3.054 5 40 GGBB Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc1Br 4821914 HWYPYQTVYNRTCI-UHFFFAOYSA-N 390.197 3.228 5 40 GGBB O=C(COc1ccccc1C(=O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 8704977 OHIRXKPFSDKXQT-UHFFFAOYSA-N 383.404 3.238 5 40 GGBB Cc1cc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])ccc1Br 3502562 MYBMVBQCXOCBCZ-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB CCN(CC)Cc1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20112786 QLPFEGQLRNPIDZ-UHFFFAOYSA-N 377.466 3.379 5 40 GGBB CC[C@@H](C)n1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cc(C)ccc3nc21 100628129 UFWIPAOUWUZASC-CQSZACIVSA-N 393.491 3.080 5 40 GGBB CC(C)C[C@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 7786699 URMPSNAMWYTUJK-GOSISDBHSA-N 396.399 3.349 5 40 GGBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc([N+](=O)[O-])c1 408625548 DVJSLVZKBIUFTI-UHFFFAOYSA-N 397.412 3.474 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)NC(C)C 408596903 UBXGOIAWRPDOMX-UHFFFAOYSA-N 391.449 3.151 5 40 GGBB Cc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222554582 RHRUMYKUIZCRDM-UHFFFAOYSA-N 391.449 3.088 5 40 GGBB O=C(COCc1ccccc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1 44292703 SLDZIUIXTOSNMO-UHFFFAOYSA-N 389.839 3.114 5 40 GGBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225455051 FPQXOYISXZTDJW-INIZCTEOSA-N 383.448 3.079 5 40 GGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc(O)c1 95470913 ZOPFEMCXEPYZFQ-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB CCN(CC)CCNc1ccc2ncn3c4c(OC)ccc(OC)c4c(=O)c1c23 5499387 GVUCPNKYHGBWCF-UHFFFAOYSA-N 394.475 3.210 5 40 GGBB in-vivo COc1ccc([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 11548970 URIKHZITGOZHEC-GOSISDBHSA-N 386.404 3.355 5 40 GGBB COc1cccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 6549254 SWHOVIDYYQYLPR-UHFFFAOYSA-N 377.422 3.132 5 40 GGBB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 45712567 RGDPRCYJFSJURG-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB Cc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 220403392 UUGPZQPCILZMSD-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C 6508956 RLYLQDDOYKTCHT-UHFFFAOYSA-N 384.348 3.149 5 40 GGBB CC(C)(C)OC(=O)NC1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCC1 97102700 IIBVSGGOIXWSMH-UHFFFAOYSA-N 376.369 3.254 5 40 GGBB CCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1 408627721 NFUHGSWBPPUAJS-UHFFFAOYSA-N 375.406 3.216 5 40 GGBB COc1ccc(OC(F)F)c(NC(=O)NCCNc2ccccc2[N+](=O)[O-])c1 47921954 UHEZFWQWWAVDQL-UHFFFAOYSA-N 396.350 3.438 5 40 GGBB CCOc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(C)=O 5336129 MDWYCKGYNDRONC-YBEGLDIGSA-N 396.355 3.263 5 40 GGBB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3162714 FZLVMHGVOQJRKZ-UHFFFAOYSA-N 398.375 3.381 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 4626095 IRXGFWCBPCVAFK-CQSZACIVSA-N 386.433 3.128 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)N1CCC(Cc2ccccc2)CC1 10327797 DEHLTMGAVLPYTR-UHFFFAOYSA-N 381.432 3.323 5 40 GGBB O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1cccs1 851262 XGFUAHZSESDYKW-DTQAZKPQSA-N 385.445 3.440 5 40 GGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1Cl 7171171 KJXCLLWEAQCQKA-NSHDSACASA-N 389.795 3.391 5 40 GGBB COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 3549870 LUBQLMYSATVKJR-UHFFFAOYSA-N 377.784 3.015 5 40 GGBB COCCCn1c(C2CCCCC2)nc2c(c(=O)c3ccccc3n2C)c1=O 6815274 ZGTBUNOYZNLILL-UHFFFAOYSA-N 381.476 3.333 5 40 GGBB COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222569864 ITPZVXAEJWRNAU-JQAFLVLXSA-N 386.433 3.293 5 40 GGBB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 2656911 UGXBHFRDAXTDEG-UHFFFAOYSA-N 376.365 3.289 5 40 GGBB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8416444 QQVRLNOJPOHFRO-UHFFFAOYSA-N 399.403 3.058 5 40 GGBB O=C1c2ccc(Br)cc2C(=O)N1c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3099606 QVGGDRPDXQBQNL-UHFFFAOYSA-N 392.121 3.066 5 40 GGBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccccc1[N+](=O)[O-] 59294407 ISPIDQMZSJEFBJ-UHFFFAOYSA-N 393.837 3.380 5 40 GGBB Cc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n(C[C@@H]2CCCO2)c1C 12519955 HSANTVYPXYQJQQ-INIZCTEOSA-N 390.465 3.318 5 40 GGBB CCOc1cc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O 704508 MHKABLWFISYJPX-CXUHLZMHSA-N 396.355 3.263 5 40 GGBB COc1cc(C(=O)OCC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 3487134 DLWFGYKBXCOZPI-UHFFFAOYSA-N 379.752 3.305 5 40 GGBB O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1C(=O)O 4695714 RPXOHKYABYSKFJ-UHFFFAOYSA-N 395.165 3.073 5 40 GGBB CCNc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)cc1[N+](=O)[O-] 5659747 YKIBCEZPPQHCKX-UHFFFAOYSA-N 388.376 3.084 5 40 GGBB CN(CC(=O)Nc1ccccc1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2 7912178 BJEMOJGNQYBEKB-UHFFFAOYSA-N 391.811 3.185 5 40 GGBB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 40080878 TUUDAIMUTFMPLI-NEPJUHHUSA-N 375.450 3.269 5 40 GGBB CC(=O)c1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 101629908 NJCHBDDFIWOWBA-HNNXBMFYSA-N 387.779 3.195 5 40 GGBB COc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 7093617 MCISHRCJGNWEMH-UHFFFAOYSA-N 376.434 3.162 5 40 GGBB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1[N+](=O)[O-] 32930188 JOGZOCWFXZHQGY-UHFFFAOYSA-N 394.353 3.407 5 40 GGBB O=C(COC(=O)c1cnccn1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 971808 CXTUQESSUZTHCY-UHFFFAOYSA-N 379.328 3.217 5 40 GGBB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)c1cccc([N+](=O)[O-])c1 3259273 BNUFDKMAKKTYLA-UHFFFAOYSA-N 381.369 3.174 5 40 GGBB COC(=O)C1=C2CCC3=C2[C@]2(C1)C(=O)[C@H]1C[C@H]4[C@]2(C)[C@@H](CC3)C[N@@+]4([O-])C[C@@H]1C 1077995402 KGESJSJJGMUDSQ-KDLRYRELSA-N 383.488 3.288 5 40 GGBB biogenic O=C(Nc1cccc2cccnc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6269370 FLLVMCSRJRXSIX-UHFFFAOYSA-N 378.388 3.232 5 40 GGBB Cc1ccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6966332 QBVHIFUFGLIIMB-UHFFFAOYSA-N 389.839 3.284 5 40 GGBB COC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 8904245 UBSGVSBJXFOFTI-UHFFFAOYSA-N 387.373 3.252 5 40 GGBB Cc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59417122 CHBCDSRCYNHJAQ-UHFFFAOYSA-N 398.337 3.496 5 40 GGBB COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1O 108387016 XVSDSDDONJXPEG-QWHCGFSZSA-N 395.456 3.139 5 40 GGBB O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc([N+](=O)[O-])c1 6045203 BATWEGRVTRMRHV-APSNUPSMSA-N 399.384 3.429 5 40 GGBB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 7783208 ZJNHMVCNKVYAMP-UHFFFAOYSA-N 397.478 3.329 5 40 GGBB CCN(CCC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)CC1CC1 95457702 KCWFUDCTXIIYHF-UHFFFAOYSA-N 395.525 3.118 5 40 GGBB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)CC1 216926444 BHWUAWUJCJSNBI-IZZDOVSWSA-N 395.459 3.397 5 40 GGBB O=C(NCCc1ccccc1F)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 47937014 CDNPDONQJWJMGK-UHFFFAOYSA-N 385.439 3.305 5 40 GGBB Cc1ccc(N2C[C@@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7881682 AVBWBPJMBVCEBX-ZBFHGGJFSA-N 396.399 3.071 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCC(F)(F)F 27403265 LQUPGDBFZICMEY-UHFFFAOYSA-N 381.310 3.068 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 7882248 OOCLKULTPBZQDM-NSHDSACASA-N 389.795 3.248 5 40 GGBB COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])c(C)s1 58171590 NLDKFGKNAXHWTH-UHFFFAOYSA-N 382.825 3.434 5 40 GGBB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cc2c(cc1[N+](=O)[O-])OCO2 819161 IVEIYWGDXLOSOA-UHFFFAOYSA-N 396.359 3.065 5 40 GGBB COc1ccc(C(C)=O)cc1COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 3358523 DGLXIVNEKNVGJN-UHFFFAOYSA-N 389.360 3.180 5 40 GGBB CCOc1ccc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)cc1[N+](=O)[O-] 19004526 WNCJLZQFTKKZCF-UHFFFAOYSA-N 399.355 3.471 5 40 GGBB COC(=O)c1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408565626 CORCCKHEQOZSLK-QGZVFWFLSA-N 398.444 3.472 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70655853 AZADHJYUHBERCF-UHFFFAOYSA-N 389.415 3.014 5 40 GGBB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 4276707 WCXONPIOGGKZTI-UHFFFAOYSA-N 383.813 3.316 5 40 GGBB COc1cc(C(=O)N2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1C 53090174 KDQDUPUMBHMRRV-MRXNPFEDSA-N 383.448 3.431 5 40 GGBB O=C(COC(=O)/C=C/c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3434858 RNAZVZYNYYNCAB-RMKNXTFCSA-N 383.385 3.400 5 40 GGBB O=C(Nc1sc2c(c1C(=O)c1cccnc1)CCC2)c1ccc([N+](=O)[O-])cn1 546713900 HJYIPBSIMIBACC-UHFFFAOYSA-N 394.412 3.418 5 40 GGBB CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128351 SCWWAYWLUYOKRM-SIMVJXQJSA-N 389.408 3.050 5 40 GGBB CN(C)Cc1nnc([C@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 583621973 NFBAQBCGYILVFG-CQSZACIVSA-N 393.831 3.060 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1 5023286 QRNZVHQBGYIUPM-UHFFFAOYSA-N 384.344 3.036 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1cccc(Cl)c1 408832436 YOMKWZYOAIUWBW-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(S(C)(=O)=O)cc1 217877747 KCNKMPBKUOOYMU-MRXNPFEDSA-N 376.434 3.188 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 7882596 DEWKQWXPKAACCD-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB Cc1cc([C@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)on1 47287800 YWICENPFVIZZHU-GOSISDBHSA-N 384.436 3.471 5 40 GGBB O=C(NCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 25128220 FBJAXSPXHPTZMV-UHFFFAOYSA-N 391.431 3.175 5 40 GGBB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccc(F)c([N+](=O)[O-])c1 3224515 AKMBVDBOLRQMDM-UHFFFAOYSA-N 388.138 3.231 5 40 GGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 8739658 VMBLWTBXJWMJCJ-UHFFFAOYSA-N 396.422 3.395 5 40 GGBB Cc1cc(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)no1 24957021 AMYBZEJDELYXCC-CQSZACIVSA-N 381.772 3.365 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 18042632 OCQJYXAXBBIWPQ-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 1102320 UYATUUOPJVOEOR-JTQLQIEISA-N 377.759 3.379 5 40 GGBB Cc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)no2)cc1 12527275 PNEOASJIFRDJJT-UHFFFAOYSA-N 379.420 3.275 5 40 GGBB O=C(COc1ccccc1)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 8748728 ZDVDPFDVCXQQHO-UHFFFAOYSA-N 394.387 3.215 5 40 GGBB CCn1c(=O)c2ccccc2n2c(COc3c(C)ccc([N+](=O)[O-])c3C)nnc12 29751129 FFQZCYUWRAKKAT-UHFFFAOYSA-N 393.403 3.168 5 40 GGBB CCS(=O)(=O)c1ccc2oc(COc3nc(C)cc(C)c3[N+](=O)[O-])nc2c1 96006582 ZNOSYCXGSWEICR-UHFFFAOYSA-N 391.405 3.120 5 40 GGBB CCNc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3ccccc3nc12 9578685 FPWONWWPACTJGB-UHFFFAOYSA-N 377.375 3.355 5 40 GGBB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 408714705 VQMLTPMOEPOHRI-UHFFFAOYSA-N 397.347 3.134 5 40 GGBB C[N+]1(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1 27666070 QQRMQHYXTNBZKF-GPUVRGFBSA-N 386.556 3.371 5 40 GGBB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)Nc1ccc([N+](=O)[O-])cc1 40150071 ODBGVRCOJPLNBH-KRWDZBQOSA-N 399.451 3.053 5 40 GGBB COc1ccc(-n2nnc3c(SCc4cccc([N+](=O)[O-])c4)ncnc32)cc1 4274057 KOMSSAKHBXTDTM-UHFFFAOYSA-N 394.416 3.420 5 40 GGBB Cc1cnn(CCCNC(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)c1 2796352 LCVNAUHGNOSFFL-UHFFFAOYSA-N 384.392 3.092 5 40 GGBB CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1S(C)(=O)=O 56988274 DWQKSHZQUMEVET-UHFFFAOYSA-N 376.434 3.049 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127366 SMMQYFZNJPUDTI-UHFFFAOYSA-N 388.420 3.302 5 40 GGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccncc1 4976659 OOSQUHISCHIYCS-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB O=c1ccc([N+](=O)[O-])cn1CCSc1nnc(NC2CCCCC2)s1 84338962 DUOHWMOJSQQFBV-UHFFFAOYSA-N 381.483 3.145 5 40 GGBB O=C1C[C@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N2NC=NC2=N1 409378221 NKAUJHSBZKYAGU-OAHLLOKOSA-N 399.794 3.003 5 40 GGBB Cc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)ccc1[N+](=O)[O-] 15526213 HWCIKSZRRIHRAJ-UHFFFAOYSA-N 396.447 3.262 5 40 GGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 205762350 OTWONTGVJZKMLI-WUXMJOGZSA-N 384.797 3.236 5 40 GGBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(=O)n(-c2ccccc2)n1C 712877 LOLFYSGSKKDQAA-UHFFFAOYSA-N 386.795 3.298 5 40 GGBB CO[C@@H]1C[C@H]2[C@@H](C[C@@]1(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2(C)C 4104766 LKISZDGHIQPGMP-LUXYFRNMSA-N 378.381 3.500 5 40 GGBB biogenic,in-vitro O=[N+]([O-])c1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3nonc23)ccc1Cl 102101255 FHRSESSLYHEOBF-UHFFFAOYSA-N 380.660 3.344 5 40 GGBB O=C(COc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611885 SAZVWXDKNIYRKY-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nc(CC2CCCC2)n[nH]1 8752502 KURWLSNAGDWWBZ-UHFFFAOYSA-N 375.454 3.485 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1F)N1CCOCC1 95402670 BHNBDMNNBNDQGD-QGZVFWFLSA-N 393.802 3.399 5 40 GGBB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 71979888 NNJZHSKOPSZOAP-DPBGWIHLSA-N 382.800 3.080 5 40 GGBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224977356 MMJVRMLVIJJXBH-DLBZAZTESA-N 397.475 3.469 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784532 DIFOUSWGOGXPPO-UHFFFAOYSA-N 379.394 3.335 5 40 GGBB O=C(Nc1ccc(I)cc1F)c1ccc([N+](=O)[O-])o1 408622606 PLHIVLODZCEEGE-UHFFFAOYSA-N 376.081 3.184 5 40 GGBB Cc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1[N+](=O)[O-] 22296949 LECWJRNUZLOSCE-STQMWFEESA-N 390.465 3.221 5 40 GGBB O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1 106757083 ZBSLFCYBTYPASV-WJDWOHSUSA-N 386.385 3.416 5 40 GGBB CC(C)CCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 3231064 WXMPSBZPTGFJLU-OAQYLSRUSA-N 382.416 3.448 5 40 GGBB COc1cc(C(=O)OCC(=O)Nc2cccc(C)c2C)c([N+](=O)[O-])cc1OC 3498346 NTWOMFXSOPGWII-UHFFFAOYSA-N 388.376 3.024 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 7079436 CVSPWNRICBWTNX-OLZOCXBDSA-N 384.388 3.127 5 40 GGBB COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1 25453985 JRCNMJWNSYUBGU-UHFFFAOYSA-N 378.406 3.107 5 40 GGBB CN(C)c1ccc(CCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 43782716 HABWXGKTGXYFFH-UHFFFAOYSA-N 377.466 3.109 5 40 GGBB Cc1cccc(CSCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 20486702 HLNSWJGXUMTOCX-UHFFFAOYSA-N 380.491 3.256 5 40 GGBB COc1cc(NC(=O)[C@H](C)Oc2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1 22473345 DENHWMSXXRFRFH-NSHDSACASA-N 376.365 3.027 5 40 GGBB CCn1c(SCC(=O)OCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccco1 5568099 SQMPYKSVCMPYKF-UHFFFAOYSA-N 388.405 3.302 5 40 GGBB COc1ccc2nc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)sc2c1 4583417 ZMDKWJOMJHWJHE-UHFFFAOYSA-N 398.444 3.176 5 40 GGBB O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4741156 VPLNAUWCTGNYBN-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 7363380 IUTLPORQLSFXJD-CYBMUJFWSA-N 391.449 3.232 5 40 GGBB O=C(c1cccnc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 408626487 HOJHDKZUDQOCCT-UHFFFAOYSA-N 381.219 3.259 5 40 GGBB O=C(c1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1)N1CCCC1 28707849 NXYNCUICZOYRSF-UHFFFAOYSA-N 394.475 3.153 5 40 GGBB O=C(COC(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3434909 QNXGGXDNUNKPLD-UHFFFAOYSA-N 375.337 3.139 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccco1)N1CCCCC1 45797324 XZNGOPGYSKVRNI-INIZCTEOSA-N 393.465 3.002 5 40 GGBB Cc1cccc(C)c1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 5054898 UYZBNDCDMPDXLI-UHFFFAOYSA-N 393.399 3.254 5 40 GGBB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 4800492 XXFINZOWWNSDAW-UHFFFAOYSA-N 383.433 3.045 5 40 GGBB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 7928252 FZZITJQCOPAIGV-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB O=C(OCc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4839419 BLHPXHUZZIQJCI-UHFFFAOYSA-N 376.796 3.442 5 40 GGBB O=C(c1ccco1)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 6602395 SYJBBDXPDJOGGO-UHFFFAOYSA-N 395.371 3.046 5 40 GGBB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 21836905 CNMDHYOFQSTHBC-CQSZACIVSA-N 387.411 3.404 5 40 GGBB C[C@@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1 22414721 BZPZIXKMCHDFMX-SNVBAGLBSA-N 391.767 3.142 5 40 GGBB C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N1CCc1c2[nH]c2ccccc12 4073321 LHHKVCMLXKQVKK-FQEVSTJZSA-N 376.372 3.316 5 40 GGBB biogenic CS(=O)(=O)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 83984531 FYANRPCMLYMTHQ-HNNXBMFYSA-N 397.840 3.156 5 40 GGBB CCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Cl 408627998 PFJDUNPTCRLKCH-UHFFFAOYSA-N 394.840 3.278 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 18042663 MNGXLRQLRIKJDS-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB CCCC[C@H](CC)CN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)O 5258395 LZVKCQWEOXLAKJ-WMLDXEAASA-N 379.457 3.491 5 40 GGBB O=C(NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 8982061 ZCUBYUVYSRVMEZ-LLVKDONJSA-N 391.786 3.170 5 40 GGBB CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6361891 MZNRCAMPUDBVEA-UHFFFAOYSA-N 391.449 3.234 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103149171 JMKYASHNZLWNNN-MKXGPGLRSA-N 394.383 3.362 5 40 GGBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 5449637 BQHIDEQGUPODAL-GFCCVEGCSA-N 384.344 3.310 5 40 GGBB COc1cc(CCNC(=O)[C@H](C)Sc2ccccc2)c([N+](=O)[O-])cc1OC 9388678 JKWHHJVEVDETKH-ZDUSSCGKSA-N 390.461 3.452 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1 5347380 UYYIURPMRMDDJF-UHFFFAOYSA-N 382.413 3.343 5 40 GGBB Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 6962968 CXABBRJEPBYAFZ-UHFFFAOYSA-N 398.488 3.049 5 40 GGBB CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 12808736 NFSTXARXFSIJOW-OKILXGFUSA-N 397.431 3.117 5 40 GGBB COc1cccc(N2C[C@H](C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 12987380 FMDTYMGOYXEROZ-GOEBONIOSA-N 397.431 3.176 5 40 GGBB Cc1ccc(CSCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 7688766 AQYOVFNCHHKDNZ-UHFFFAOYSA-N 380.491 3.423 5 40 GGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccc3F)CC2)c2ccccc21 8739909 WXLTXMUIYWEORX-UHFFFAOYSA-N 396.422 3.395 5 40 GGBB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128353 SCWWAYWLUYOKRM-OMXAPOSASA-N 389.408 3.050 5 40 GGBB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 36329908 JCAWPMHPDZNVEB-RVSPLBMKSA-N 388.420 3.195 5 40 GGBB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 32765133 BZRYXZWZPRXNMD-UHFFFAOYSA-N 389.795 3.393 5 40 GGBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](C)C(=O)NC(C)C 225478699 JIIXAZXTPNRUIX-QGZVFWFLSA-N 397.475 3.388 5 40 GGBB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 15638773 BXMCRJKNGVCUDM-OAHLLOKOSA-N 383.404 3.064 5 40 GGBB Cc1cc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)ccc1[N+](=O)[O-] 24943315 RKUUFLZQGDTHER-UHFFFAOYSA-N 380.404 3.191 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)ccc1O 12544935 UYGNLPASRGMXAG-UHFFFAOYSA-N 378.406 3.423 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1NC(C)=O 14152466 WSEWQUPPRCSSMK-UHFFFAOYSA-N 375.406 3.293 5 40 GGBB Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=N)NC2=O)c1 6886610 IMKQHMOVUNRIJE-GZTJUZNOSA-N 399.428 3.500 5 40 GGBB COC(=O)c1cccc2c3c([nH]c12)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C3 32818613 DJEBYBVNPKWLDL-UHFFFAOYSA-N 379.372 3.061 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 100835629 QNOAGXYROWOBBX-KRWDZBQOSA-N 383.429 3.088 5 40 GGBB COc1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c([N+](=O)[O-])cc1OC 3518209 KHHFTUGNSTULTD-UHFFFAOYSA-N 399.355 3.384 5 40 GGBB O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1cccc(Cl)c1 5322606 IGYWPDBFWALKPM-SFHVURJKSA-N 385.763 3.075 5 40 GGBB COc1ccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 6552366 DRZAQIQELNZPIG-UHFFFAOYSA-N 378.406 3.180 5 40 GGBB C[C@@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 95455283 GHYPDPNOCFJRIJ-LLVKDONJSA-N 392.462 3.419 5 40 GGBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 6348403 DEEHYFFJKSZJAA-INIZCTEOSA-N 386.408 3.165 5 40 GGBB Cc1c(OCC(=O)NCCCCCC(=O)O)ccc2c1oc(=O)c1ccccc12 2118623 VQZJXHMYHRUWEG-UHFFFAOYSA-N 397.427 3.395 5 40 GGBB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 409139183 BAPRIKGKLCGGMW-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB Cc1ccc(NC(=O)COC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])c1 5793821 KLOJMJJTYCVLHK-UHFFFAOYSA-N 378.768 3.117 5 40 GGBB O=C(COc1cccc(Cl)c1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 5802083 GNNIUHSHMNFOCX-UHFFFAOYSA-N 379.752 3.237 5 40 GGBB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1[N+](=O)[O-] 13021470 UGVAOFPHFWQXSC-UHFFFAOYSA-N 388.323 3.449 5 40 GGBB O=[N+]([O-])c1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1 2711839 JOVCSYWGJJSNAA-UHFFFAOYSA-N 395.437 3.028 5 40 GGBB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 8058830 KDVDAUBAZBWTSC-QGZVFWFLSA-N 392.433 3.138 5 40 GGBB COc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1OC(C)=O 5172897 ZZFUYOQHQAVQEM-NVNXTCNLSA-N 396.355 3.182 5 40 GGBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 5501745 YEUYWLDOEPIJLQ-UHFFFAOYSA-N 386.433 3.460 5 40 GGBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 12651664 VWOATUHOIAJERM-IFIJOSMWSA-N 378.425 3.338 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 57316043 PCWPTQJDQDXPCF-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB Cc1ccc(C(=O)NCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 12606182 HTKJDNYSWUJJDU-UHFFFAOYSA-N 397.309 3.170 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@]1(C)CC1(Cl)Cl 3465578 XXJZPUWPNBNUFA-XLKFXECMSA-N 391.207 3.058 5 40 GGBB O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@@H]1CCCO1 9118087 PVZISDJWMUWUAV-BUXKBTBVSA-N 397.387 3.069 5 40 GGBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2sccc2c1=O 28625280 USZKLICUQAMPIY-UHFFFAOYSA-N 391.430 3.062 5 40 GGBB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408637794 ACINQMDMQNQKCD-CQSZACIVSA-N 383.404 3.294 5 40 GGBB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 225147998 QVOFBMWKYUXTMD-UHFFFAOYSA-N 393.446 3.353 5 40 GGBB COC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl 12946945 JURYDYKVADLLRV-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB O=C(O)c1ccc(CNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 13091806 OOWCQUJWUSUBFC-UHFFFAOYSA-N 383.404 3.213 5 40 GGBB COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 3373413 GQVNZUQVLBBTHO-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 5044005 OOCOFAYXQGTXKW-UHFFFAOYSA-N 377.736 3.059 5 40 GGBB COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc([N+](=O)[O-])c1O 96003625 XVSDSDDONJXPEG-CHWSQXEVSA-N 395.456 3.139 5 40 GGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC1CCCC1 8211522 RHMGBHLNYTZCTR-UHFFFAOYSA-N 382.420 3.318 5 40 GGBB COC(=O)[C@@H](C)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 33789962 AQKVNZQPPMGCCU-CZNFOMIPSA-N 386.448 3.111 5 40 GGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(CN2C(=O)CSC2=O)cc1 58156973 XJQGMAZCZDJCJD-JXMROGBWSA-N 397.412 3.442 5 40 GGBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCc2ccc([N+](=O)[O-])cc21 54758200 XNSVUFGODVQSNM-UHFFFAOYSA-N 394.836 3.001 5 40 GGBB Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cccc([N+](=O)[O-])c1 409128692 GKLKCGJYBLJLIY-UHFFFAOYSA-N 387.396 3.260 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)C2CCCC2)c1 31984466 YLWJWMOTBARNJY-UHFFFAOYSA-N 388.445 3.492 5 40 GGBB COc1ccc(CC(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280380 PRYBKAJFMKIXDT-LJQANCHMSA-N 398.479 3.308 5 40 GGBB biogenic COCCCn1c(-c2ccccc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2206546 STBCITZTVUIVEW-UHFFFAOYSA-N 392.411 3.215 5 40 GGBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 12798632 GAIQXXUNHGMWMN-JTQLQIEISA-N 382.825 3.143 5 40 GGBB Nc1nc(CN2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)nc2ccccc12 14322933 NYDBXTHRASDHEI-UHFFFAOYSA-N 398.854 3.096 5 40 GGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2C)cc1[N+](=O)[O-] 224778981 KXDHNKAIRXFWRI-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])o1 6602261 XDGCGGTUARSZLB-UHFFFAOYSA-N 393.421 3.005 5 40 GGBB CCOc1ncccc1CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] 84802907 XMINVANSUOBXOI-UHFFFAOYSA-N 380.198 3.081 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NC1C2CC3CC(C2)CC1C3 32118589 NNOVHWJITCJIFR-SNAWJCMRSA-N 385.489 3.423 5 40 GGBB CSc1ccc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1 71113760 GHMXYIGZEZWWNM-UHFFFAOYSA-N 375.453 3.500 5 40 GGBB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225683198 CAXHOWOHUXGOGZ-KRWDZBQOSA-N 397.475 3.122 5 40 GGBB C[C@@H](SC1=NCCS1)C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 9404366 IFCCUDPCSGDRIN-MRVPVSSYSA-N 395.491 3.276 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 40153695 IYKIKJKJAKNLOC-HKUYNNGSSA-N 392.839 3.061 5 40 GGBB CCn1c(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 4996676 RLERBBQCLUPEIV-LBPRGKRZSA-N 398.448 3.388 5 40 GGBB Cn1c(=O)nc2n(-c3ccc4ccccc4c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497868 FXYJVORXCOMTRW-UHFFFAOYSA-N 398.378 3.251 5 40 GGBB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26534217 RWWKJWFNGGMDDU-ZIAGYGMSSA-N 383.404 3.097 5 40 GGBB CCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 9265023 UAEPYBDSBSXOCJ-UHFFFAOYSA-N 383.433 3.469 5 40 GGBB Cc1cc(Cl)ccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778163 BAMDFOUZASQSNB-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB CCCC[C@H](CC)CN[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)O 5258393 LZVKCQWEOXLAKJ-YOEHRIQHSA-N 379.457 3.491 5 40 GGBB C[C@@H]1CN(Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 40082233 QPMAWVMMZXUPIE-HZPDHXFCSA-N 395.459 3.407 5 40 GGBB CCN1CCN(Cc2ccccc2CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 32916246 CVDUVOIRVPCMHU-UHFFFAOYSA-N 399.451 3.253 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 4861778 WOHBRYCMANOGDO-UHFFFAOYSA-N 386.433 3.039 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ncccc12 29871590 OYVWTUISPNPMGK-UHFFFAOYSA-N 390.443 3.400 5 40 GGBB CC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)c2ccccc2C1=O 1310680 ZVTJUGBLLRKKSU-UHFFFAOYSA-N 377.356 3.117 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cc(C)ccc1OC 25321750 KXFMLORUFIKIDJ-UHFFFAOYSA-N 387.436 3.242 5 40 GGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)s2)c(F)cc1F 13009424 ATQBSUGANDKPAY-UHFFFAOYSA-N 399.194 3.498 5 40 GGBB CNc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] 102095189 WJWCPXJZMOXKRS-UHFFFAOYSA-N 395.715 3.359 5 40 GGBB COc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1 7596485 YUVDRMAHIXWQSV-UHFFFAOYSA-N 394.387 3.458 5 40 GGBB COc1ccc(CN(C)c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])cc1OC 9119030 YRNZNFDTIMNQOG-UHFFFAOYSA-N 385.420 3.141 5 40 GGBB CC(C)(C)NS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 84199602 ARZYNIWWDDXLFY-DZGCQCFKSA-N 399.513 3.025 5 40 GGBB CC(C)OC(=O)C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccccc1 72307599 FGFOGUYUKOCPNC-HNNXBMFYSA-N 396.403 3.098 5 40 GGBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1cccc2ccccc12 6084466 IDIRZAXFDKAKLR-UHFFFAOYSA-N 378.340 3.399 5 40 GGBB Cc1nn(CC(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)c(C)c1[N+](=O)[O-] 6069460 ZDQSGQXFISUDTR-CQSZACIVSA-N 396.403 3.132 5 40 GGBB O=C(NC1CC1)c1ccc(NCCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 12557794 QXJQSAJVJQIGPX-UHFFFAOYSA-N 391.431 3.327 5 40 GGBB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408552301 LOQFEBNZDGDICY-CYBMUJFWSA-N 399.428 3.054 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 30861174 WSCBAGPKGUMKOQ-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB CCCC[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101047264 RKROBLKADFNWMV-QYZOEREBSA-N 395.415 3.463 5 40 GGBB COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 7721331 HHPQJYNXJYUTMQ-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 7928251 FZZITJQCOPAIGV-CQSZACIVSA-N 383.404 3.294 5 40 GGBB Cc1cccc(C)c1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 8433693 PMDMWOHQCFEDEX-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 25125924 RNYFBFWJAOEUSJ-UHFFFAOYSA-N 389.358 3.364 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 12755544 DHHYKCSEEVADKS-AWEZNQCLSA-N 383.404 3.237 5 40 GGBB CCOc1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 6538094 KPUQWJIQTXKGFU-AWEZNQCLSA-N 391.207 3.059 5 40 GGBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 5603870 QQURODRIYDIINK-YQORSWRPSA-N 396.402 3.472 5 40 GGBB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3O)n[nH]2)cc1[N+](=O)[O-] 4891205 YJNODCVHWIJKGY-UHFFFAOYSA-N 385.405 3.125 5 40 GGBB Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410868 OCEHRUBTTDRODM-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2cccnc2)n(C)c1=S 36395926 OSUMDYZAIQOMCZ-LBPRGKRZSA-N 382.449 3.330 5 40 GGBB CC(C)Cc1nc2c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 62639802 XZTGYDNSDLCHNN-UHFFFAOYSA-N 377.404 3.199 5 40 GGBB COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OC 15093451 AGDPDVXYQJKQII-UHFFFAOYSA-N 379.800 3.107 5 40 GGBB CN(CC(=O)Nc1ccc(Cl)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 8036559 CQBUMBKUCGUGBC-UHFFFAOYSA-N 391.811 3.185 5 40 GGBB CN(C)P(=NC(=S)Nc1cccc([N+](=O)[O-])c1)(c1ccncc1)N(C)C 5524070 PRTHFEXAHGXJFN-UHFFFAOYSA-N 392.425 3.167 5 40 GGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182077 VRSINMROUNVKEL-UHFFFAOYSA-N 394.359 3.038 5 40 GGBB O=[N+]([O-])c1ccc(/C(O)=C(/C(=S)NCc2ccco2)[n+]2ccccc2)cc1 3377707 CDDZTPCBLMJLAO-UHFFFAOYSA-O 382.421 3.476 5 40 GGBB O=[N+]([O-])c1cccc(OCCN2CCN(c3nsc4ccccc34)CC2)c1 13733145 WQHUQRBVDZBKQD-UHFFFAOYSA-N 384.461 3.406 5 40 GGBB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 9446222 IFRHQTFEMLEHRH-UHFFFAOYSA-N 395.415 3.034 5 40 GGBB CO[C@@H]1[C@@H](C)[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C 97033955 TWHPIITWNRUQIO-AQUOVQTQSA-N 378.397 3.063 5 40 GGBB CCCCN(C(=O)[C@H]1C[C@@H]1[N+](=O)[O-])c1cccc(I)c1 84744411 VSLABSPYEUKNPL-STQMWFEESA-N 388.205 3.090 5 40 GGBB CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cc(Br)cs1 48367793 LBOQGEIBBJNCKF-UHFFFAOYSA-N 384.255 3.489 5 40 GGBB CCOc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc4cc(C)ccc4nc32)cc1 41074099 MNOVGJJMAXQOOR-UHFFFAOYSA-N 398.422 3.434 5 40 GGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(F)(F)F)cc1 2629591 FZCDYMSMIOQSAQ-UHFFFAOYSA-N 382.294 3.338 5 40 GGBB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 8378455 RKZSXGOPDHASHV-GOSISDBHSA-N 394.383 3.283 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)[S@@](c1ccc(Br)cc1)=NS2(=O)=O 6995767 QZUCRZKNXXRCTI-FQEVSTJZSA-N 387.236 3.280 5 40 GGBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 5966761 PDTBQQRQYIIGLC-UHFFFAOYSA-N 394.387 3.193 5 40 GGBB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1C 5401924 CCNXKIJFVSOYKO-UHFFFAOYSA-N 396.378 3.213 5 40 GGBB COc1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 6357769 RPRCXYMOZHKORY-UHFFFAOYSA-N 387.392 3.459 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1COC(C)C 28043660 UWKRZQUYYJFSRW-UHFFFAOYSA-N 378.450 3.307 5 40 GGBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2404063 BUUDTUDKWXKGRK-KBPBESRZSA-N 377.448 3.444 5 40 GGBB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 223233174 SEDNDGUHNGAUIE-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB Cc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cccc1[N+](=O)[O-] 12986930 MMEKAANXXZDRHK-UHFFFAOYSA-N 387.823 3.155 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O 5269230 ZATNEAOXWPJZHW-UHFFFAOYSA-N 393.399 3.374 5 40 GGBB O=c1c2ccc([N+](=O)[O-])cc2ncn1CCOc1cccc(Br)c1 3339230 XXVGHQIUQZGILF-UHFFFAOYSA-N 390.193 3.146 5 40 GGBB CCSc1nnc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 12858254 IWPLOWYQAJBXOQ-UHFFFAOYSA-N 396.479 3.165 5 40 GGBB Nc1ccc(C(=O)OCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] 5689044 DWZREBDIDHRPGT-UHFFFAOYSA-N 381.182 3.175 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(N3CCCC3)s2)cc1[N+](=O)[O-] 52911991 FPAYIZGBJSPSEF-UHFFFAOYSA-N 379.467 3.086 5 40 GGBB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1cccc([N+](=O)[O-])c1 5338068 BATWEGRVTRMRHV-FRKPEAEDSA-N 399.384 3.429 5 40 GGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCNC(=O)Nc1ccccc1 10855223 HXYSIKOQKULBHY-UHFFFAOYSA-N 390.827 3.418 5 40 GGBB CSc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cc1[N+](=O)[O-] 28959354 PCIDLPXKRCXBGI-UHFFFAOYSA-N 392.506 3.040 5 40 GGBB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 12754518 IGVCAMGWANOCQO-GOSISDBHSA-N 385.395 3.078 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 14201876 QVKKEQIFTXZDTB-UHFFFAOYSA-N 397.435 3.382 5 40 GGBB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccc([N+](=O)[O-])cc1 6883290 YZGGKCTZSPBLQR-UHFFFAOYSA-N 375.690 3.067 5 40 GGBB COc1cc(NC(=O)CSc2ccccc2NC(C)=O)ccc1[N+](=O)[O-] 408558320 SYOHEUVYBPXCQG-UHFFFAOYSA-N 375.406 3.293 5 40 GGBB O=[N+]([O-])c1cccc2c(NS(=O)(=O)c3cnn(C4CCCC4)c3)nccc12 685940632 QEUCELDGWODGEU-UHFFFAOYSA-N 387.421 3.255 5 40 GGBB CCOc1ccccc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3514309 CQQDOGFGEOQXMF-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 6478598 VIVVTBUVFWVSMD-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB COCCCn1c(-c2ccc(F)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2207009 XMWWBSABFQKNKP-UHFFFAOYSA-N 393.418 3.091 5 40 GGBB Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 6452509 DGESISKZEPQNTN-UHFFFAOYSA-N 385.401 3.001 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(F)cc1Cl 4915556 KZVLSAJDHZUXLV-UHFFFAOYSA-N 382.731 3.191 5 40 GGBB CC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408642008 NEMWVXQFJWEOFE-HNNXBMFYSA-N 381.388 3.097 5 40 GGBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccccc2O)CC1 15378374 LJBJDVVWZLQVER-CQSZACIVSA-N 395.419 3.234 5 40 GGBB Cc1cccc(C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c1[N+](=O)[O-] 4436061 LVLMXRULPAFBCT-UHFFFAOYSA-N 398.415 3.314 5 40 GGBB O=C(COc1ccc(I)cc1)Nc1cccc([N+](=O)[O-])c1 7034789 OZWDBLWOIVEZLJ-UHFFFAOYSA-N 398.156 3.217 5 40 GGBB O=[N+]([O-])c1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 10646022 RDKWWPORUINVLI-ZDUSSCGKSA-N 386.412 3.205 5 40 GGBB CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)O)c(O)c3)cc2[N+](=O)[O-])CC1 20142644 HGRRCIOGCBNKNH-UHFFFAOYSA-N 399.403 3.487 5 40 GGBB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5008059 FUVVCOGQPMIQLR-UHFFFAOYSA-N 387.417 3.288 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6654399 ACXBSYXWAGSJKD-UHFFFAOYSA-N 397.840 3.187 5 40 GGBB CS(=O)(=O)c1ccc(Nc2ccc(N3CCCCC3)nc2)c([N+](=O)[O-])c1 12512196 PATUXVGGSBCRLA-UHFFFAOYSA-N 376.438 3.127 5 40 GGBB COc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c(C)cc1[N+](=O)[O-] 6201750 IASACZLYSZXXCS-UHFFFAOYSA-N 392.795 3.290 5 40 GGBB COc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1 7257658 UIDJLIAMGSUKPS-JTQLQIEISA-N 390.417 3.338 5 40 GGBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccccc1[N+](=O)[O-] 408628549 USLXOAJAVNOQOY-UHFFFAOYSA-N 397.412 3.474 5 40 GGBB CCc1nc(N)nc(N)c1-c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 5479500 QYERPKPGUXIFHG-UHFFFAOYSA-N 378.436 3.433 5 40 GGBB Cc1nc(NCc2ccc3c(c2)OCO3)nc(NCc2ccco2)c1[N+](=O)[O-] 49025944 ZLGMCFUYKZLZCL-UHFFFAOYSA-N 383.364 3.239 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCN1CCCCCC1=O 45113489 SRBACXBZEDSIBG-HNNXBMFYSA-N 376.457 3.090 5 40 GGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1C[C@H]1CCCO1 3495190 AEZVNKBOWHTQMD-CYBMUJFWSA-N 392.433 3.293 5 40 GGBB CNc1cc(N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)ccc1[N+](=O)[O-] 4688300 LLTQOBFOYOIMCZ-UHFFFAOYSA-N 398.463 3.386 5 40 GGBB Cc1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br 116709990 RSYRPWSLQYFOGV-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 7254351 AGUFQXXBTGZNHH-YRNVUSSQSA-N 384.388 3.497 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25376242 YYHFJVKLRCIRDZ-ZJUUUORDSA-N 382.360 3.003 5 40 GGBB CC(=O)c1ccc(N[C@H](C)c2ccc(NS(C)(=O)=O)cc2)c([N+](=O)[O-])c1 40149323 AFZHYHPREXMEST-LLVKDONJSA-N 377.422 3.342 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)c1nn2c(nc(=O)c3ccc(Cl)cc32)s1 958648 ZEIXKDZFQIQDGG-UHFFFAOYSA-N 386.776 3.097 5 40 GGBB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 10543355 NNNZCEUMFCIIMQ-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(C)cc2C)NC(=O)N1 6046367 LHQSNDNSHRJNRE-GOSISDBHSA-N 380.404 3.478 5 40 GGBB C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5113313 IRIZFLHRYNAHFA-WSYSLRRZSA-N 382.416 3.289 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccccc1CN1CCCC1=O 40069464 SIRMAHXJCFPQBE-ZHACJKMWSA-N 379.416 3.047 5 40 GGBB O=[N+]([O-])c1c(N2CCCCC2)c([N+](=O)[O-])c2nsnc2c1N1CCCCC1 16138069 SRJZUYGKMDCXTI-UHFFFAOYSA-N 392.441 3.488 5 40 GGBB COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 861301 PNRGSPPYQYPAGN-UHFFFAOYSA-N 394.811 3.171 5 40 GGBB CS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 1792940 VXCWKGYTKPACPT-UHFFFAOYSA-N 395.374 3.199 5 40 GGBB COc1cccc(-n2nnc3c(SCc4cccc([N+](=O)[O-])c4)ncnc32)c1 4274025 KAHGLXBLTDEQSN-UHFFFAOYSA-N 394.416 3.420 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1)NCCc1csc(-c2ccccc2)n1 27993533 UAJFLJFADCLXCT-UHFFFAOYSA-N 383.429 3.456 5 40 GGBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1-n1cncn1 15291425 YYBDKHGUSCFRQD-UHFFFAOYSA-N 390.762 3.019 5 40 GGBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OC 409229531 QPVRPBHIZFTVFX-OVCLIPMQSA-N 397.387 3.013 5 40 GGBB COc1ccccc1-n1c2nc(=O)[nH]c(=O)c-2cc2cc3cc(C)ccc3nc21 41074097 VYQHZHNKFASDPK-UHFFFAOYSA-N 384.395 3.044 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438635 PGFFLMHPUKSHAS-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 16399800 WPCLCSTZZQTKEI-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB CCN(CCO)CCNc1ccc(C)c2sc3cc(OC)ccc3c(=O)c12 4523043 HITOZCIVCZWXRR-UHFFFAOYSA-N 386.517 3.458 5 40 GGBB Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1 6572484 SOSNZZMECQPQFL-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB O=C(c1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]1(O)C(F)(F)F 724137 YHURVIJZFRTWNH-MRXNPFEDSA-N 379.294 3.096 5 40 GGBB O=C(NCc1ccccc1CN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 12786700 IVLYRGHQOUWLOV-UHFFFAOYSA-N 397.431 3.239 5 40 GGBB CSc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] 12853227 MGWHPKJHEHKMOZ-UHFFFAOYSA-N 382.445 3.492 5 40 GGBB CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 6623267 LQBLUYXOSFVKMN-UHFFFAOYSA-N 382.369 3.100 5 40 GGBB COC1(c2nc(C3CC3)no2)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 583615927 QHWFOXFITREQBV-UHFFFAOYSA-N 379.804 3.046 5 40 GGBB Cc1cc(C)c2c(OCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)nn(C)c2n1 58307395 ZKEHVQZLWITMKQ-CQSZACIVSA-N 397.435 3.092 5 40 GGBB C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCCCn1ccnc1 5207637 BHCKEEHMCITXJN-HNNXBMFYSA-N 391.427 3.117 5 40 GGBB CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(NC(C)=O)cc1 7365884 MUAITGDCHLPLFZ-UHFFFAOYSA-N 384.421 3.378 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4977103 WQPPVLIZUJOOJS-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB COc1cc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c(C)cc1[N+](=O)[O-] 103490830 OEVBBCHKBSQQQK-MELADBBJSA-N 376.409 3.220 5 40 GGBB CCOc1ccc(NC(=O)COc2cc([N+](=O)[O-])ccc2F)c([N+](=O)[O-])c1 5673354 BEHSOVTUXMUNON-UHFFFAOYSA-N 379.300 3.058 5 40 GGBB Cc1oc(CN(C)C(=O)CCCNc2ccc([N+](=O)[O-])cc2)cc1C(=O)O 95425066 GKZIKOUXQOFLRK-UHFFFAOYSA-N 375.381 3.045 5 40 GGBB COc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(OC)cc1Cl 66015889 QLCACSXSYLWXJV-UHFFFAOYSA-N 396.783 3.292 5 40 GGBB CCOc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1[N+](=O)[O-] 31504655 JKXSEUBDXQCGBB-CQSZACIVSA-N 381.392 3.014 5 40 GGBB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408583219 GNACELOWDRZVTO-UHFFFAOYSA-N 392.437 3.173 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1[N+](=O)[O-] 11615813 BBQFLKJDRIOUDZ-UHFFFAOYSA-N 390.373 3.457 5 40 GGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1cc([N+](=O)[O-])ccc1F 3246868 CPTRHFSQBRAFPO-UHFFFAOYSA-N 397.702 3.091 5 40 GGBB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)cc1 7751791 CUELKXKFEMZBRL-BJMVGYQFSA-N 379.416 3.159 5 40 GGBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 6948473 SOHVAFSXRPNLPI-TZZQJPOUSA-N 380.400 3.345 5 40 GGBB CN(CCO)c1nc(/C=C/c2ccccc2)c([N+](=O)[O-])c(NCc2ccco2)n1 72238766 PJEDXYKHWXOKSP-MDZDMXLPSA-N 395.419 3.189 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408737225 MMZXHMYISROHGW-QGZVFWFLSA-N 397.387 3.170 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O 3154438 KSQDGAHCTZIFQX-UHFFFAOYSA-N 388.335 3.332 5 40 GGBB CCN(c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1)C(C)C 3235709 VSVHWFCLIKGPQB-UHFFFAOYSA-N 375.381 3.218 5 40 GGBB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8709428 KGNWMKOOFAIPGL-UHFFFAOYSA-N 393.827 3.495 5 40 GGBB CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1ccc2c(c1)OCO2 96012924 ONCMFHBHQYGXRR-UHFFFAOYSA-N 389.383 3.313 5 40 GGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cccc(I)c1 31929714 HJBCNOJNESNMCH-UHFFFAOYSA-N 396.184 3.472 5 40 GGBB COc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c(OC)c1 32039763 JHAHNGQEJZHQBS-UHFFFAOYSA-N 396.403 3.070 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 25043611 MELOXRGIVYJNJB-GFCCVEGCSA-N 381.310 3.403 5 40 GGBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 25325839 AHLUVCHTHNOLTQ-OAHLLOKOSA-N 395.868 3.113 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1OP(=O)(O)O 2168669 JELNBKZALJBEFQ-UHFFFAOYSA-N 388.272 3.472 5 40 GGBB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 29889404 SPUVWBIPUVYTTR-CQSZACIVSA-N 375.425 3.131 5 40 GGBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 5828869 JABSQFRNDDDDIP-UHFFFAOYSA-N 377.422 3.132 5 40 GGBB CCOCCCNc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC)s1 32923346 RTCVTQPIJFOYCF-UHFFFAOYSA-N 398.466 3.223 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)O[C@@H](C)C2 8144572 DNZMHROHRSJTNQ-ZDUSSCGKSA-N 399.447 3.313 5 40 GGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccc(Br)c1 100447597 VKFILBSQSMVKFH-UHFFFAOYSA-N 396.222 3.190 5 40 GGBB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 24334676 GQOACPMWAHEGGC-QGZVFWFLSA-N 389.839 3.052 5 40 GGBB CCC(C)(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2367449 AEUUKDVUXURQTK-UHFFFAOYSA-N 383.451 3.259 5 40 GGBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2429594 LAPKARJOEGTVKC-CQSZACIVSA-N 377.448 3.192 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1ccc2c(c1)OCCO2 3306272 SOJXFSXYXCXWOX-NSHDSACASA-N 390.417 3.494 5 40 GGBB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 5699922 PLZVIRXMOPCMIJ-UHFFFAOYSA-N 382.420 3.154 5 40 GGBB Nc1ccc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 4866749 NJIXQEAOVMSRPD-UHFFFAOYSA-N 384.175 3.279 5 40 GGBB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7738672 KTQJJXFKEGLZJA-SECBINFHSA-N 388.767 3.309 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 32127698 IJMBLQFVXXQWIW-UHFFFAOYSA-N 379.781 3.104 5 40 GGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2C(=O)CCC2=O)cc1 4072506 YIKXLZPWOJGGNG-UHFFFAOYSA-N 396.384 3.110 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@]1(C)CC1(Cl)Cl 3465574 XXJZPUWPNBNUFA-RMLUDKJBSA-N 391.207 3.058 5 40 GGBB CCCCC[C@@H]1C[C@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 4600870 WORCYIYHCAMEQJ-IUODEOHRSA-N 393.465 3.310 5 40 GGBB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224227693 YSNWFUZEJLXXAL-IBGZPJMESA-N 397.475 3.389 5 40 GGBB CCc1cccc(CC)c1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 951422 LCPPAXAKHMWLQC-UHFFFAOYSA-N 395.415 3.344 5 40 GGBB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 7881659 VDHXLVWYYBLPBJ-QAPCUYQASA-N 396.399 3.152 5 40 GGBB COC(=O)c1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 8904288 JUPSDWDTAARJMX-UHFFFAOYSA-N 387.373 3.009 5 40 GGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Br)o1 3321104 RHNSEWSZMPJIHX-UHFFFAOYSA-N 384.138 3.174 5 40 GGBB O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc(Cl)cc1 5067384 KKGJWZRXXXEXDJ-GOSISDBHSA-N 385.763 3.075 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1F 5680002 JBFZLDMXOALGCO-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB CCOC(=O)c1cc(C(=O)N(C)CCOc2ccccc2C)cc([N+](=O)[O-])c1 16147492 FBRBEJPBFWQRHQ-UHFFFAOYSA-N 386.404 3.231 5 40 GGBB CC(C)OC(=O)C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1ccccc1 72307600 FGFOGUYUKOCPNC-OAHLLOKOSA-N 396.403 3.098 5 40 GGBB CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 46914709 AMVSXUNJUVIMKS-OPYAIIAOSA-N 392.459 3.147 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cccc(Br)c1 225073133 WTQMXOTYBFADSN-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB CC(=O)N1[C@@H](c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 5378157 ZHEBHXUMNWAOAF-MJGOQNOKSA-N 379.372 3.023 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439267 XOLSDZPRDJEHJR-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 4262979 XNGTXRXQAHSXHH-SFHVURJKSA-N 396.403 3.260 5 40 GGBB Cc1ccc(NC(=O)[C@]2(CC(=O)O)CC(c3ccc([N+](=O)[O-])cc3)=NO2)c(C)c1 8738735 HDGXKZMOXTWWBI-HXUWFJFHSA-N 397.387 3.188 5 40 GGBB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 22995269 YNWHEYGRNFOYFB-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB CCN(Cc1cccc(F)c1)C(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1 24639508 GMNHLOYLCKSVIN-UHFFFAOYSA-N 375.400 3.455 5 40 GGBB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 21367579 JGGHWLRISRHDJU-BJMVGYQFSA-N 388.351 3.328 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21 19179803 YRBRWJMXNMCPIA-UHFFFAOYSA-N 375.768 3.493 5 40 GGBB Cc1ccc(OCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c([N+](=O)[O-])c1 8187964 JYAWDMDVYHYFNQ-UHFFFAOYSA-N 385.420 3.449 5 40 GGBB CCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862424 MXNPVGHMQCNVRK-UHFFFAOYSA-N 382.369 3.037 5 40 GGBB COc1ccccc1-c1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 8586811 VGVMYEJDUWZXLZ-UHFFFAOYSA-N 395.419 3.072 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CSc2nccn2-c2cccc(F)c2)c1 12547681 HLJUAJNFAGMGCL-MRXNPFEDSA-N 389.408 3.452 5 40 GGBB C[C@H](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)NC(=O)c1ccccc1 10904710 YXPSRTCYMPDMJP-CYBMUJFWSA-N 389.839 3.415 5 40 GGBB COc1cc(C=O)cc(Br)c1OC(=O)c1ccc([N+](=O)[O-])cc1 8469753 HARJUXVLOJFVQF-UHFFFAOYSA-N 380.150 3.398 5 40 GGBB C[C@@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-] 5887209 AAYLDWGNWQZEAF-BZYZDCJZSA-N 385.332 3.087 5 40 GGBB CCC(CC)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 12561768 FIVLSSMMUUMKDC-SFHVURJKSA-N 383.514 3.311 5 40 GGBB C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2o1 8240039 ZTINXSTVUZIFLA-LLVKDONJSA-N 381.344 3.126 5 40 GGBB C[C@@H](c1ccccc1)N1CC[C@H](Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 538084138 NMSVNYLSZVFFOE-ZFWWWQNUSA-N 379.420 3.491 5 40 GGBB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224078255 VXNSXQJSJHDBEL-KRWDZBQOSA-N 397.475 3.327 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(C)c(C(=O)O)c2c1 11615812 CHFFDFWSSXCSSS-UHFFFAOYSA-N 390.373 3.457 5 40 GGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13988378 JCAWPMHPDZNVEB-MRRJBJDNSA-N 388.420 3.195 5 40 GGBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1 5140590 IEKFVPPBMAJNCZ-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccncc1 1565780 WVFSXESWPMNHNI-UHFFFAOYSA-N 383.385 3.075 5 40 GGBB Cc1ccc(C(=O)C2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)c(C)c1 24452563 JFSNECYYSFENQK-UHFFFAOYSA-N 398.463 3.146 5 40 GGBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 225013899 JAMFVJGUAVKOPD-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1[N+](=O)[O-] 47081030 AGOOQZUBVVNUQF-UHFFFAOYSA-N 390.399 3.481 5 40 GGBB COc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 4120125 BJVDQXKJMKHPMP-UHFFFAOYSA-N 385.445 3.278 5 40 GGBB CCCc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 30835919 MTGWACWWWVTYOH-UHFFFAOYSA-N 378.450 3.213 5 40 GGBB COC(=O)Cn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2c(C)cc(C)cc21 100910573 YBCZNMWPROFBMH-VXPUYCOJSA-N 399.428 3.142 5 40 GGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)COc1ccc([N+](=O)[O-])cc1Cl 7171167 KJXCLLWEAQCQKA-LLVKDONJSA-N 389.795 3.391 5 40 GGBB CN1CCN(c2cc(NC(=O)c3ccc(F)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229359 OLLXQZVPZPPSNF-UHFFFAOYSA-N 392.818 3.391 5 40 GGBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 5861621 OOWQZXGHUGDYHS-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@H]1OC=C[C@H]41 13374559 JWPAJVNQGTWPMI-WSVYEEACSA-N 396.395 3.407 5 40 GGBB biogenic,in-vitro Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@@H]1c1ccccc1 4853798 RUZJICRDFDROSN-FQEVSTJZSA-N 397.456 3.499 5 40 GGBB aggregator CCOc1ccc(S(=O)(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 6601916 YHZNJXYDNMSWJP-UHFFFAOYSA-N 396.377 3.133 5 40 GGBB COCCCOC1CN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 72311772 DHMQSCTZNDVROY-UHFFFAOYSA-N 385.420 3.216 5 40 GGBB CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 14409738 CLJYGIUJYMFPEY-UHFFFAOYSA-N 389.481 3.414 5 40 GGBB CC[C@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 4433752 QJQNGIKZGFNVHG-INIZCTEOSA-N 376.340 3.073 5 40 GGBB COc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1OC 8473525 NWKBEUIQZBJJCK-UHFFFAOYSA-N 395.843 3.476 5 40 GGBB Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-] 22297446 SBBDFUHSGWBYRN-CHWSQXEVSA-N 390.465 3.221 5 40 GGBB CC1CCN(S(=O)(=O)c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)CC1 12557735 DKOPYMVGOVPWJU-OAHLLOKOSA-N 381.498 3.394 5 40 GGBB O=C(Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1 12526286 CITBTFCTNIZRPN-UHFFFAOYSA-N 387.373 3.241 5 40 GGBB CC1CCN([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2cccs2)CC1 10137125 VJCJTDZMFKFUGU-QGZVFWFLSA-N 388.493 3.442 5 40 GGBB CCOc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 6508900 DHNHUESOPHQPOA-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CN2CCCCCC2)CC1 45831985 JVOWIXDDYLORIH-UHFFFAOYSA-N 375.469 3.332 5 40 GGBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2312779 JWQHSHPIAMPTCW-UHFFFAOYSA-N 385.427 3.238 5 40 GGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cc(C)ccc2C)NC(=O)N1 6052680 VXFBYZIYHXGUFA-GOSISDBHSA-N 380.404 3.478 5 40 GGBB CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)cc1 4837485 FFYWPJOLJWMFKQ-WQRHYEAKSA-N 384.388 3.485 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCc1ccc(F)cc1 7156409 BWVXTOHLTVLVEL-UHFFFAOYSA-N 379.413 3.131 5 40 GGBB C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399047 DULVXWJKHKZCFL-FZKQIMNGSA-N 375.432 3.175 5 40 GGBB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 16471597 HCGAGSGWPKNLQS-QGZVFWFLSA-N 389.839 3.052 5 40 GGBB COc1ccccc1N1C[C@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1CCCCC2 2974497 ZPSPSTBFHPBLGC-NRFANRHFSA-N 382.440 3.254 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccccc1)c1ccccc1 10327767 GOTGASLLKAKTCO-UHFFFAOYSA-N 375.384 3.439 5 40 GGBB O=C(COc1ccccc1Cl)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410871 ANJRKJMSIXIDJG-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB O=C(CCc1ncc(-c2ccccc2)o1)NCCNc1ccccc1[N+](=O)[O-] 12734650 CICQVQFRSCWBQY-UHFFFAOYSA-N 380.404 3.411 5 40 GGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 35598295 VKPIEQWQSNUJHS-UHFFFAOYSA-N 398.444 3.269 5 40 GGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138047 VTPMUJOXODFOAC-STQMWFEESA-N 385.376 3.083 5 40 GGBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 26534220 RWWKJWFNGGMDDU-OKILXGFUSA-N 383.404 3.097 5 40 GGBB COc1ccc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c2c1 3410913 IQFVIJACHKWSPG-UHFFFAOYSA-N 376.369 3.350 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])C1 16756329 YEMZLRNKBYMWEZ-AWEZNQCLSA-N 397.431 3.287 5 40 GGBB CCCCOC(=O)c1cc(Cl)c(Sc2nnc(CC)n2N)c([N+](=O)[O-])c1 70462511 FOOSVALVORWWOO-UHFFFAOYSA-N 399.860 3.224 5 40 GGBB COc1ccc(NC(=O)c2ccccc2I)cc1[N+](=O)[O-] 157711169 GCMUSDDAEGFFDF-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB O=C(NCc1cccnc1OC1CCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 40089415 YEDIWIWGFIIMBT-UHFFFAOYSA-N 381.392 3.118 5 40 GGBB CCOC(=O)c1cc(OC(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1 1058335 LEMCWRWNRSNRLN-UHFFFAOYSA-N 381.344 3.176 5 40 GGBB C[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 8306165 OGNKLNNPPAPACA-SNVBAGLBSA-N 375.768 3.034 5 40 GGBB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc([N+](=O)[O-])c1 32930190 NKQZHJVTBBSFNT-UHFFFAOYSA-N 394.353 3.407 5 40 GGBB CCCCOC(=O)c1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)cc1 5385562 ZEBNJDXKGOXGNP-UHFFFAOYSA-N 389.411 3.136 5 40 GGBB Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1NS(C)(=O)=O 10370796 DCKJJOXLLULABL-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1Cl 8902382 FEUAGICIJJNTDB-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB CC(C)[C@@H](C)NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8121558 RMDJYRDIHIWTBF-CQSZACIVSA-N 385.420 3.387 5 40 GGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1csc(N2CCCCC2)n1 78976463 VIVUTASAHBRWNM-UHFFFAOYSA-N 375.454 3.360 5 40 GGBB Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1N1CCCCC1=O 5330130 KYBIBVSNJNEKIX-UHFFFAOYSA-N 389.433 3.221 5 40 GGBB CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)sc(C)c1C 2601666 OWBYQPOUPPZNRG-UHFFFAOYSA-N 394.453 3.374 5 40 GGBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2246222 WVOWJSVSUHQRFL-UHFFFAOYSA-N 377.448 3.446 5 40 GGBB COC[C@H](C)NS(=O)(=O)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 8149320 VOYMWHYTCQKGDK-ZDUSSCGKSA-N 385.486 3.043 5 40 GGBB CC1CCN(c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)cc2[N+](=O)[O-])CC1 13091943 HDSRCKSYNLJCTC-UHFFFAOYSA-N 397.431 3.459 5 40 GGBB O=C(CNc1ccccc1I)c1ccc([N+](=O)[O-])cc1 59371042 GSDJEKPYKHDOCQ-UHFFFAOYSA-N 382.157 3.494 5 40 GGBB COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1cccc([N+](=O)[O-])c1 20111210 AZRBYODTERXTHO-HXUWFJFHSA-N 384.432 3.353 5 40 GGBB biogenic COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 11342187 VYXGWMXDVAXMDD-VXGBXAGGSA-N 390.367 3.165 5 40 GGBB CCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(C)c(=O)c21 5415340 HOONCFCNSYAAPE-UHFFFAOYSA-N 398.448 3.302 5 40 GGBB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 7813603 IOFQNYZGKUHQET-JTQLQIEISA-N 395.462 3.276 5 40 GGBB COc1cc2c(cc1OC)CN(C(=O)Cn1ccc3c([N+](=O)[O-])cccc31)CC2 96221709 IKRODOIYDZGOGE-UHFFFAOYSA-N 395.415 3.152 5 40 GGBB biogenic CCC(CC)(CNC(=O)OC(C)(C)C)NCc1cc2c(cc1[N+](=O)[O-])OCO2 97001819 RORIZRPKHSZYPI-UHFFFAOYSA-N 395.456 3.497 5 40 GGBB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784206 JOEMHGZGWLHCGG-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB Cc1c([C@@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40080576 KKFNOXQKYCWNOM-LLVKDONJSA-N 383.383 3.301 5 40 GGBB COc1ccc(-n2c(Cn3cc([N+](=O)[O-])ccc3=O)nc3ccccc32)cc1 31672464 BSOCCKDEFCWXLJ-UHFFFAOYSA-N 376.372 3.152 5 40 GGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2cccs2)CC1 31708890 IUTPHPUXBQLZEG-UHFFFAOYSA-N 395.868 3.033 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 57315870 MHRGRXUUPKZVAI-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB COc1ccccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 3158273 TVHDESIYRCFAEA-UHFFFAOYSA-N 393.311 3.465 5 40 GGBB O=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1908455 VVEFVGQCRZZWRC-UHFFFAOYSA-N 378.300 3.474 5 40 GGBB COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 6787180 IYMZZGMURJRSCG-UHFFFAOYSA-N 391.811 3.324 5 40 GGBB COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1OC 5936633 FPSHFVSPDSIEJO-UHFFFAOYSA-N 394.811 3.303 5 40 GGBB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 224788905 LXUHTRZGLZHOLD-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cn3ncn(-c4ccccc4)c3=S)CC2)cc1 57452416 VSLWPTWZHCILNT-UHFFFAOYSA-N 396.476 3.091 5 40 GGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCCC1 58108638 UQRHVROBSBQFSL-WMLDXEAASA-N 391.493 3.079 5 40 GGBB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 13674159 DHCDTDSDTMYYLO-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O 3202717 KLDUZUHTDQUPAB-UHFFFAOYSA-N 394.368 3.104 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-] 10113761 YXTHOTCVRXVHII-UHFFFAOYSA-N 375.450 3.329 5 40 GGBB C[C@H](OC(=O)c1cccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4564350 SUEDDUPVBQWVNH-VIFPVBQESA-N 385.298 3.136 5 40 GGBB COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624551 VOIKANVNIXYLJF-UHFFFAOYSA-N 385.423 3.358 5 40 GGBB biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O 5270203 NJZMZJPSCQQHNP-UHFFFAOYSA-N 393.399 3.374 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1[N+](=O)[O-] 3506263 UNTVRJQZJANCTG-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929513 ADTZUPOFTVTNHH-CQSZACIVSA-N 384.388 3.179 5 40 GGBB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc3ccccc3c2)cc1[N+](=O)[O-] 10226057 AAVPRVWZAPZGHI-UHFFFAOYSA-N 391.427 3.445 5 40 GGBB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] 10737633 DCVIVFPOTHQXDK-MRXNPFEDSA-N 396.403 3.284 5 40 GGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 4790405 GAIKQCNIAFHWTR-UHFFFAOYSA-N 399.388 3.420 5 40 GGBB COc1ccc(-c2cccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)nn1 10186664 OQKIBPMOBNQUHZ-UHFFFAOYSA-N 395.331 3.221 5 40 GGBB Cn1cnnc1[C@@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 31653389 AAZYFBUXXKHBFU-QGZVFWFLSA-N 391.431 3.338 5 40 GGBB O=C(OCCOC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 7780081 IIBYTKALMLUHSJ-UHFFFAOYSA-N 384.388 3.209 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)[nH]1 10475523 PVSQIDITVMIYJP-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB O=C(Cc1nc(COc2cccc([N+](=O)[O-])c2)cs1)NCc1ccccc1 14251839 JPQPTYBMGXZYBH-UHFFFAOYSA-N 383.429 3.489 5 40 GGBB C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400223 KQGMCDNELRZDRE-NSHDSACASA-N 397.840 3.041 5 40 GGBB O=C(c1ccccc1)[C@H](c1ccccc1)[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 5722527 HJNBJRGJCGJFHU-SIKLNZKXSA-N 388.379 3.401 5 40 GGBB O=C(O)c1cc(C(=O)O)c2ccc3c(C(=O)O)cc(C(=O)O)c4ccc1c2c43 642881320 NFAVSWWZWNSEIB-UHFFFAOYSA-N 378.292 3.377 5 40 GGBB COC[C@@H](C)n1c(C)cc(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C 7035443 NCMMPQZMMHQOIE-CYBMUJFWSA-N 376.409 3.491 5 40 GGBB CC(C)OC(=O)C[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 10737643 VVUUNCQECGCVDN-MRXNPFEDSA-N 396.403 3.284 5 40 GGBB O=C(NCCCO)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 33655369 VAEQSFGKQHSKGY-UHFFFAOYSA-N 398.426 3.383 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1073331 MJLXVWODQHIBLF-QGZVFWFLSA-N 381.388 3.265 5 40 GGBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc(C)c2)cc1[N+](=O)[O-] 831364 PQYLPVBWFBDCET-QGZVFWFLSA-N 394.474 3.348 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 10112381 GCABOCSIHCECTP-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB Cc1ccccc1Oc1cc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc([N+](=O)[O-])c1 101844068 KABZEXOEDWBXCZ-CADBVGFASA-N 394.383 3.362 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 1279973 XRSXIEBGBFSOTH-HZPDHXFCSA-N 390.500 3.262 5 40 GGBB biogenic COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 12785813 DGCWBDQAPQAGQB-SNVBAGLBSA-N 376.390 3.421 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)OCCOC(=O)Nc1ccc([N+](=O)[O-])cc1 4155193 JQCPKNDVZJMIKM-UHFFFAOYSA-N 390.308 3.300 5 40 GGBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2C12CC2 101359178 FFAHMWNZQNAWQE-DMTCVQMQSA-N 389.205 3.059 5 40 GGBB COC(=O)c1cc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc([N+](=O)[O-])c1 11740482 MGWKISQONVRDDJ-UHFFFAOYSA-N 397.387 3.069 5 40 GGBB Cc1c(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cccc1[N+](=O)[O-] 12939615 QHNXDGCNJMGUNG-UHFFFAOYSA-N 380.404 3.259 5 40 GGBB Cc1cccc(C)c1OCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8510666 BZWLPLSXGJGFLV-FQEVSTJZSA-N 383.404 3.058 5 40 GGBB CCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 7366190 PDPNWBJGMNEQTF-UHFFFAOYSA-N 375.406 3.216 5 40 GGBB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 225039342 RTIBCGDNWMKWEN-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020319 HYMXHEHRQFMFMN-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB CCOC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 224761232 DMSVSKBCEOWZMW-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB CNc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12632606 RMOOJGYYCPCCSG-INIZCTEOSA-N 383.404 3.385 5 40 GGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Cn2cncn2)c1 48356381 GUERITGJBFFISZ-CQSZACIVSA-N 397.460 3.032 5 40 GGBB CCC(=O)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 5199333 HKHZBVBNCRHXBP-UHFFFAOYSA-N 384.388 3.243 5 40 GGBB COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] 95989260 KGNNIMXOYCIOAX-QWHCGFSZSA-N 393.440 3.073 5 40 GGBB Cc1nc(-c2ccc(CCNC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2)cs1 40157978 VYZQLAQDXXYJPX-UHFFFAOYSA-N 385.449 3.041 5 40 GGBB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 227142956 XQCUVXZQPGNCEZ-UHFFFAOYSA-N 377.389 3.384 5 40 GGBB CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)N(C)C1=S 409041736 JKWZQFJFOWWZIJ-BOPFTXTBSA-N 383.429 3.203 5 40 GGBB COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2OC)cc1Cl 224963957 PAWRKOYTERWOOZ-UHFFFAOYSA-N 386.813 3.091 5 40 GGBB CS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 58297916 JOQSHOZJVXBIJK-WMZOPIPTSA-N 376.434 3.331 5 40 GGBB O=C(Cc1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 854853 YVIYXAWGHKLXGX-KRWDZBQOSA-N 393.321 3.133 5 40 GGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 7881656 DUBXIDAQHXLFLB-GOEBONIOSA-N 396.399 3.071 5 40 GGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 4262984 OCWVWOTYTIMCRZ-GOSISDBHSA-N 396.403 3.260 5 40 GGBB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 66016570 GZYQGRIHRNLQNT-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB C[C@H](Sc1nc(=O)c2ccsc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 9762794 GQTGDRQOHNKSMW-QMMMGPOBSA-N 376.419 3.012 5 40 GGBB CCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409221075 KNNFRWZIZKNQID-NTEUORMPSA-N 398.331 3.208 5 40 GGBB CCCC[C@@H](CC)CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224057988 SJFSBJPNVYOOHG-OAHLLOKOSA-N 399.513 3.002 5 40 GGBB O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCCc1ccc(Cl)cc1 4923627 SVSRIPMHAUOYQJ-UHFFFAOYSA-N 394.218 3.375 5 40 GGBB N=C(NCc1ccccc1)c1cc(I)cc([N+](=O)[O-])c1 3154509 XYENAAZSOLPZBC-UHFFFAOYSA-N 381.173 3.315 5 40 GGBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 408629346 XYADZEZBLPDNFA-UHFFFAOYSA-N 396.447 3.214 5 40 GGBB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1[N+](=O)[O-] 408637796 ADGBQZUEONUEPD-ZDUSSCGKSA-N 398.375 3.111 5 40 GGBB O=C(c1ccc(Cl)cc1)N1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 40083000 YQKUVKLKUOYOGL-UHFFFAOYSA-N 399.838 3.013 5 40 GGBB CCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17081443 YABBHMSDHGYFMT-UHFFFAOYSA-N 398.419 3.032 5 40 GGBB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 8413010 UWQRZJCVPWDIKK-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB CCOC(=O)c1ccsc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=N 17079056 PATRRWGKOIETJH-UHFFFAOYSA-N 387.373 3.311 5 40 GGBB O=c1c2cc3c(=O)n(Cc4cccnc4)ccc3nc2ccn1Cc1ccccc1 40398774 NVAODJJZUQLKIW-UHFFFAOYSA-N 394.434 3.203 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNC2=NC=N[C@@H]3SC=C(c4ccccc4)[C@H]23)cc1 96035803 WMVAHRNVLNIZOC-NLWGTHIKSA-N 394.456 3.388 5 40 GGBB Cc1ccc(C(=O)NC[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 8983825 GYXCVRHQHDCDCZ-CYBMUJFWSA-N 387.823 3.340 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 881471 SIGPZKGFHWWMHW-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB C[C@@H]1CCC2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 20034217 HYTMHLQACCRLDO-ZXIHIIQKSA-N 385.342 3.023 5 40 GGBB O=C(Cc1csc(Cc2ccccc2)n1)NCCNc1ccc([N+](=O)[O-])cc1 25268516 YYBGECWMCSPCMQ-UHFFFAOYSA-N 396.472 3.413 5 40 GGBB O=C(NCc1ccco1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4471459 STOWUFDQHXXKKB-UYRXBGFRSA-N 391.383 3.275 5 40 GGBB Cc1ccc(N2C(=O)C[C@@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)cc1C 5323048 QWDJLLUJNKSODI-FQEVSTJZSA-N 379.372 3.038 5 40 GGBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1ccccn1)CCC2 5264215 ADHNVHUGVZZTNA-UHFFFAOYSA-N 394.456 3.376 5 40 GGBB Cc1c(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cccc1[N+](=O)[O-] 40127721 QGJJUEKPJNFYFW-UHFFFAOYSA-N 393.490 3.375 5 40 GGBB C[C@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 58061530 NQIQQHKABKOVDP-LBPRGKRZSA-N 376.376 3.166 5 40 GGBB CCCCc1nc(C)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 48340986 KLRRGERXXQSCPZ-UHFFFAOYSA-N 389.481 3.060 5 40 GGBB COc1cc(OCC(=O)Nc2nnc(-c3ccccc3)s2)ccc1[N+](=O)[O-] 68761474 ROMNKYTZSFNMSC-UHFFFAOYSA-N 386.389 3.139 5 40 GGBB Cc1cc(C(=O)CCC(=O)NCCNc2ccccc2[N+](=O)[O-])c(C)s1 8146206 FAHFXCPUBVFFED-UHFFFAOYSA-N 375.450 3.464 5 40 GGBB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc(Cl)ccc1[N+](=O)[O-] 9892992 CBPLIZRUJDOFFW-UHFFFAOYSA-N 384.783 3.489 5 40 GGBB COc1c(/C=C/c2cc(C(F)(F)F)nc(O)n2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 408720452 PPARDWDXPXYYKD-NSCUHMNNSA-N 386.242 3.196 5 40 GGBB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 239203311 SCWWAYWLUYOKRM-GDKCJGSASA-N 389.408 3.050 5 40 GGBB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 7553134 RILHCIACTVQLLZ-MRXNPFEDSA-N 387.417 3.211 5 40 GGBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)c1ccc(Cl)s1 7555222 XKRKRSJPEWYPFM-DAFODLJHSA-N 395.776 3.478 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c1C 12560852 BTNWSDNELGDWBT-UHFFFAOYSA-N 384.417 3.469 5 40 GGBB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4687572 JFXUNYGFSSWUAP-UHFFFAOYSA-N 385.464 3.130 5 40 GGBB COC(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1 6642021 RVGZCHGNOIPLAB-LBPRGKRZSA-N 397.383 3.298 5 40 GGBB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])s1 12622004 NRPKIGDLBNMIRY-UHFFFAOYSA-N 385.195 3.442 5 40 GGBB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C 24396033 HKELSENMRRNSPW-UHFFFAOYSA-N 393.447 3.178 5 40 GGBB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 1228805 NLRUJKLLFYFORF-UHFFFAOYSA-N 391.379 3.257 5 40 GGBB COc1ccc(OCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 12554426 HLFCVAADCFPYLY-UHFFFAOYSA-N 399.447 3.403 5 40 GGBB O=[N+]([O-])c1ccc(CS(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 45798138 RHFHBBRQPZIDAX-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB Cc1c([C@H](C)NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 40080578 KKFNOXQKYCWNOM-NSHDSACASA-N 383.383 3.301 5 40 GGBB COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F 69387043 LGDVBRRADIJBKX-QGZVFWFLSA-N 398.749 3.345 5 40 GGBB Cc1ccc(NC(=O)CN(C)CC(=O)Nc2c(C)cccc2C)c([N+](=O)[O-])c1 6636849 OCZMQKLSQJPAPY-UHFFFAOYSA-N 384.436 3.029 5 40 GGBB Cc1nc(N2CCOCC2)nc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] 4331900 YIHYPDBYWYZOJB-UHFFFAOYSA-N 383.330 3.292 5 40 GGBB CCNc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1[N+](=O)[O-] 8710758 GDEKDLDBZMQLPK-UHFFFAOYSA-N 398.419 3.414 5 40 GGBB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113874743 GRZXXWKJVBHVDL-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1OC 218119143 NFMHNNFLJRMTJI-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB COc1ccc(NC(=O)c2cccc(I)c2)cc1[N+](=O)[O-] 157711003 SBVLNCUBULMZJT-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 3102019 GVADSEAAFZHNBM-SFHVURJKSA-N 381.388 3.308 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O 4361133 SHVMNKSYECWMOP-UHFFFAOYSA-N 391.295 3.093 5 40 GGBB CC(=O)Nc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 2685275 SLPQBAPJULVUBV-UHFFFAOYSA-N 390.377 3.192 5 40 GGBB CCc1ccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1 4358031 FLVUNKBJPRIMRE-UHFFFAOYSA-N 384.480 3.400 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCN1CCCCCC1=O 45113491 SRBACXBZEDSIBG-OAHLLOKOSA-N 376.457 3.090 5 40 GGBB Cn1c(CCN2CCCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 5207320 KMSPIYCKIVUPBT-UHFFFAOYSA-N 393.447 3.372 5 40 GGBB CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C(=O)OC)c1C 5870525 KZKXWEZZKFAFIP-UHFFFAOYSA-N 392.389 3.180 5 40 GGBB CSc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 7653532 LVLSGAZMUHZBQB-UHFFFAOYSA-N 397.815 3.478 5 40 GGBB O=C(COc1ccccc1)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl 72229604 UYZOWKSJNWRMIW-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB CCOC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 20051078 SWBAGISHVWOHMN-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113896382 VWDQNURQPIRKEQ-UHFFFAOYSA-N 392.433 3.087 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCC2 3420492 CNCNSVNMIGYLDY-JTQLQIEISA-N 390.417 3.338 5 40 GGBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 8362330 STBUIPUCJFYVMP-UHFFFAOYSA-N 393.802 3.115 5 40 GGBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@@H](C)CC 33936279 RPTSTMJEGACHCP-DVBBHNHCSA-N 375.381 3.130 5 40 GGBB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccccc1[N+](=O)[O-] 19958996 JJLVZDAZYXOMNO-UHFFFAOYSA-N 399.410 3.252 5 40 GGBB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1cccc([N+](=O)[O-])c1 4902520 SWCCOZZPYOTLQT-UHFFFAOYSA-N 380.389 3.145 5 40 GGBB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 24544560 RHMLVIKGRLZNQW-UHFFFAOYSA-N 396.422 3.415 5 40 GGBB COCCCCN1C(=O)[C@@H](Oc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 58154930 BBPPKQKCDODQPS-OALUTQOASA-N 388.395 3.491 5 40 GGBB Cc1ccc(NC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1[N+](=O)[O-] 12779865 ATQUOLZLUGXAOD-UHFFFAOYSA-N 389.330 3.253 5 40 GGBB COc1ccc([C@H](C)NC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1OC 72329405 CTGMZSWYXMMWHI-LBPRGKRZSA-N 396.403 3.493 5 40 GGBB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408640872 KBSQRIXGEFVIJC-LLVKDONJSA-N 389.795 3.248 5 40 GGBB COC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2c(C)cc(C)cc21 100910686 UVWPWUSMYZEHOW-VXPUYCOJSA-N 399.428 3.142 5 40 GGBB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] 3502501 ZTZNOJDWHWXHSZ-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB CCOc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3514382 LSLYMVMDOOMNIP-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)COCc3ccc(Cl)cc3)n2)cc1 32814858 ZODUHYVGJIEETR-KRWDZBQOSA-N 388.811 3.084 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 9062511 GPUBOMUYEYCSCY-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB CCN(CC)[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 58323925 KOSNCWRTWNLRGN-GOSISDBHSA-N 399.447 3.179 5 40 GGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)cc1 4537248 JHYPYMDBNLGFKZ-UHFFFAOYSA-N 385.781 3.193 5 40 GGBB Cc1ccc(CSCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 408706064 UKGLICRNRRLOCO-UHFFFAOYSA-N 380.491 3.423 5 40 GGBB CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(S(C)(=O)=O)cc1 217877821 KCNKMPBKUOOYMU-INIZCTEOSA-N 376.434 3.188 5 40 GGBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224078205 VXNSXQJSJHDBEL-QGZVFWFLSA-N 397.475 3.327 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nn3cnnc3s2)c1 21124361 GAUAQTBFONOONO-BQYQJAHWSA-N 392.400 3.413 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25835530 FCAKQCQIWFAVDJ-GDBMZVCRSA-N 385.420 3.260 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 7035693 HUXIJSHQMFRNOI-UHFFFAOYSA-N 388.376 3.065 5 40 GGBB COC(=O)COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1Br 408544445 TYOCJLVUILIZHB-XQRVVYSFSA-N 397.181 3.376 5 40 GGBB COc1ccc(OC[C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 218049526 KNBBPUBSKYUBLJ-AWEZNQCLSA-N 390.461 3.420 5 40 GGBB O=[N+]([O-])c1ccc(N2CCOc3cc(F)ccc3C2)c(F)c1N1CCOCC1 599202982 WJCVVTCDXULUFW-UHFFFAOYSA-N 391.374 3.109 5 40 GGBB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1c(C)cccc1[N+](=O)[O-] 4445065 JAPYJUXXQKOILP-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB CNc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] 5363645 QNAGCIQGINTWDJ-RGCMKSIDSA-N 377.441 3.123 5 40 GGBB CCc1cc(N2CCN([C@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 79076559 OIBIFFBQOWHMDO-SFHVURJKSA-N 399.520 3.242 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)c2c(n1)CCCC2 14152334 HCPUEYIXGYCWSP-UHFFFAOYSA-N 388.449 3.311 5 40 GGBB O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)Cc2ccccc2)c(Cl)c1 4413887 DLIFQSYLCQFWJH-UHFFFAOYSA-N 383.857 3.170 5 40 GGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 845624 NYAMVHFGTVKVPM-QGZVFWFLSA-N 398.444 3.035 5 40 GGBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1ccc(F)cc1 10216909 FMGLAPZTXWCLSD-JTQLQIEISA-N 387.396 3.494 5 40 GGBB O=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1c[nH]c2ccccc12 95471203 OIJWMSSTRMDEOM-UHFFFAOYSA-N 378.432 3.077 5 40 GGBB CCc1ccc(N2C[C@@H](C(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408642706 POCOVKNZRCECSK-AWEZNQCLSA-N 383.404 3.157 5 40 GGBB O=C1CCCCC[C@H]1[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 12377258 HPIFBOJEIBTWIA-GCJKJVERSA-N 394.427 3.479 5 40 GGBB Cc1ccc(-c2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 13381907 XHSLPTLIIMAUFM-ZZXKWVIFSA-N 384.304 3.443 5 40 GGBB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 9616934 HKVAGXODYXHWEU-UHFFFAOYSA-N 393.186 3.470 5 40 GGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H](C)C(=O)NC1CCCCC1 21134278 AUQBXPFGEPONET-OLZOCXBDSA-N 380.466 3.456 5 40 GGBB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccc([N+](=O)[O-])cc1 4976634 FGQMIOXHFPHSEB-UHFFFAOYSA-N 398.379 3.284 5 40 GGBB CC1CCN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])CC1 5218800 XXDVGHBRXMNNHU-UHFFFAOYSA-N 376.848 3.469 5 40 GGBB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 408553811 QPXAYQZFHYMOJM-UHFFFAOYSA-N 379.394 3.272 5 40 GGBB Nc1nc(N2CCCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 5119893 COGXVVBYARASBV-UHFFFAOYSA-N 382.468 3.026 5 40 GGBB O=C(NCCc1ccc(C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6997717 QFQFGSGXVLGXQY-UHFFFAOYSA-N 383.282 3.494 5 40 GGBB CCN1CCC[C@@]2(CN(Cc3cccc(OC)c3[N+](=O)[O-])CC(F)(F)C2)C1=O 306141133 VLZYPPACAFQFKN-GOSISDBHSA-N 397.422 3.073 5 40 GGBB CCCn1c(O)c(C(=O)NCC[N+](CC)(CC)CCC)c(=O)c2ccccc21 6075979 YQAXDQQTKYERHM-UHFFFAOYSA-O 388.532 3.114 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 19943917 LPZLUOXVOCGVIR-UHFFFAOYSA-N 399.384 3.123 5 40 GGBB O=C(c1ccco1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 9667704 UXOSTUIIHXRSLZ-UHFFFAOYSA-N 379.332 3.340 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1 36612451 WZEVHABXCBLBAF-UHFFFAOYSA-N 379.825 3.251 5 40 GGBB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222754463 LKTPWQXFZCELFW-MSOLQXFVSA-N 379.445 3.383 5 40 GGBB Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1N1CCCC1=O 5329306 HKAADNZTTQIOEL-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB O=C(c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)N1CCCCC1 14225872 IWDCFVNEQFCCAP-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB COc1ccc(OC[C@H](O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 11148933 YEUKQCHGMLTGHT-OAHLLOKOSA-N 380.828 3.129 5 40 GGBB COc1ccccc1C(=O)N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C 4526199 FOGWRJAQCOLKOE-ATVHPVEESA-N 384.388 3.326 5 40 GGBB Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 6390192 LGCDCAMTXICXEZ-UHFFFAOYSA-N 379.825 3.449 5 40 GGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)O)c(O)c2)CC1 20142840 FNPNZDVNBVSXKY-UHFFFAOYSA-N 399.403 3.487 5 40 GGBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCOCC1 408976514 RUIPWFZVRSWDGS-UHFFFAOYSA-N 395.422 3.352 5 40 GGBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 36329907 JCAWPMHPDZNVEB-HACGYAERSA-N 388.420 3.195 5 40 GGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2C)cc1 8638369 WIQMLPJWJWKDSH-AWEZNQCLSA-N 396.403 3.007 5 40 GGBB COc1cccc(N2C[C@@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 12987383 FMDTYMGOYXEROZ-ZBFHGGJFSA-N 397.431 3.176 5 40 GGBB O=C(/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)Nc1ccc2c(c1)OCCCO2 14137417 XNXZZJBTAAZPPD-GORDUTHDSA-N 398.371 3.275 5 40 GGBB COc1cccc([C@H](Nc2nc3sccn3c2[N+](=O)[O-])c2nccn2C)c1 9459826 LJHYPHZALSBINO-ZDUSSCGKSA-N 384.421 3.248 5 40 GGBB Cc1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)c(C)c1 4187670 IJAZNNBMXGGMBP-UHFFFAOYSA-N 389.477 3.031 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccccc2Cl)CC1=O 7928423 JPBGSHLCIYJZLF-LLVKDONJSA-N 389.795 3.248 5 40 GGBB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7928471 ZCXYBOBQAUFUSY-CQSZACIVSA-N 383.404 3.294 5 40 GGBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)O)C3=O)o2)cc1[N+](=O)[O-] 409142146 LLWMRNFBTPNBBH-VGOFMYFVSA-N 388.357 3.284 5 40 GGBB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccnc3)n[nH]2)cc1[N+](=O)[O-] 5027620 FIRYZBXRGRTQJC-NSHDSACASA-N 384.421 3.203 5 40 GGBB COCCNc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 32744693 RDXUZJAPSQNAAO-GFCCVEGCSA-N 383.408 3.020 5 40 GGBB CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] 2701051 GACBASUTDFWVGC-DZGCQCFKSA-N 389.433 3.197 5 40 GGBB O=C1c2cc([N+](=O)[O-])cc(Br)c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 8448382 DUPKPRYUZWXQTM-UHFFFAOYSA-N 394.093 3.385 5 40 GGBB CCC[C@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2160474 XRHGWOKACIUHQB-INIZCTEOSA-N 383.400 3.003 5 40 GGBB biogenic O=C(Nc1cc2[nH]c(O)nc2cc1Br)c1ccc([N+](=O)[O-])cc1 408537241 ZSDQNAVPEXCWTO-UHFFFAOYSA-N 377.154 3.192 5 40 GGBB O=C(c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCc2ccccc21 5270814 KJNRGGGBDOPQAI-UHFFFAOYSA-N 375.384 3.008 5 40 GGBB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21 100788702 ZXEWWXJSZFWEBU-QRVDHSFSSA-N 396.786 3.208 5 40 GGBB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1005522 PIVHAUKCNIKHCM-MRXNPFEDSA-N 387.417 3.211 5 40 GGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1O 7199264 UDIWBICRHCPAAE-UHFFFAOYSA-N 375.724 3.361 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nccc2ccccc12 32901066 APOAPVRDBSVHHT-UHFFFAOYSA-N 380.404 3.131 5 40 GGBB COC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 711118 FRPRPBKYCDNESQ-UHFFFAOYSA-N 376.324 3.335 5 40 GGBB C[C@H](Sc1nnc2ccccn12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5212863 BTECPBIJDJGZRO-VIFPVBQESA-N 377.813 3.410 5 40 GGBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2c(F)cccc2Cl)n1C 4625580 YHXANJRSVDPQHA-UHFFFAOYSA-N 396.835 3.361 5 40 GGBB COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408640873 KBSQRIXGEFVIJC-NSHDSACASA-N 389.795 3.248 5 40 GGBB COc1ccc(Cn2ccc3nc4ccn(CC(C)C)c(=O)c4cc3c2=O)cc1 40398790 KTMSLQWZWRVWTO-UHFFFAOYSA-N 389.455 3.424 5 40 GGBB Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc([N+](=O)[O-])c3)nn12 227142949 GBZKADNZVUCKSA-UHFFFAOYSA-N 377.389 3.384 5 40 GGBB Cc1cccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 5181381 RNOCYWBGLZSSEA-UHFFFAOYSA-N 382.445 3.475 5 40 GGBB O=[N+]([O-])c1nn(-c2cccc(Cl)c2)[n+]([O-])c1NCc1ccc(F)cc1Cl 4923632 BVPZPXCPEWEWQO-UHFFFAOYSA-N 398.181 3.472 5 40 GGBB Cc1cc(C)c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(Cl)c1 3602179 DYICEBWDENROLJ-UHFFFAOYSA-N 387.779 3.100 5 40 GGBB Cc1ccc(CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 6912422 JEVMCRFQNYXWPN-UHFFFAOYSA-N 375.450 3.300 5 40 GGBB CC(C)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 54959698 QPSQMUFPHRWZCV-UHFFFAOYSA-N 382.464 3.479 5 40 GGBB Cc1nn(C)cc1/C=C(/c1nnc(-c2ccccc2)o1)n1cc([N+](=O)[O-])c(C)n1 6527141 YRPWSHHDNJUDPS-SXGWCWSVSA-N 391.391 3.238 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(-n2nnc3ccccc32)c([N+](=O)[O-])c1 2749152 KUBTWKYCQNAAPD-UHFFFAOYSA-N 389.327 3.468 5 40 GGBB CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290744 YPHJEYUPYAPKNM-IBGZPJMESA-N 399.499 3.360 5 40 GGBB CC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 850383 BOKLRLAOONEOCZ-UHFFFAOYSA-N 397.416 3.244 5 40 GGBB CCNc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1[N+](=O)[O-] 6318889 LQXQTJBFQGLSGJ-UHFFFAOYSA-N 379.319 3.100 5 40 GGBB O=C(CCCOc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 32906330 IZHQGAWONCPMBJ-UHFFFAOYSA-N 387.411 3.242 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)[C@H]1C=C[C@H]2C1 100391246 YTUQDFOFCITVEC-SLUIBLPYSA-N 390.395 3.485 5 40 GGBB Cc1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1[N+](=O)[O-] 24944458 BJXQHYOCILBADU-UHFFFAOYSA-N 380.404 3.191 5 40 GGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)NCc1ccc(Cl)cc1 5080096 AGKKXMGMHBWTCA-UHFFFAOYSA-N 383.187 3.375 5 40 GGBB CCn1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2cc3ccccc3nc21 9332918 PIVBHIAHHNRZQT-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB COCCCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409233210 DIHIIHXJXOMXTB-FOWTUZBSSA-N 387.417 3.458 5 40 GGBB CCc1cccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc12 4583476 AVALUCMACXKKKU-UHFFFAOYSA-N 386.433 3.322 5 40 GGBB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 9368377 ZHDOVUCAUPFVHL-VIFPVBQESA-N 396.450 3.051 5 40 GGBB COC[C@H](C)n1c(C)cc(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C 7035442 NCMMPQZMMHQOIE-ZDUSSCGKSA-N 376.409 3.491 5 40 GGBB Cc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7881680 AVBWBPJMBVCEBX-HOCLYGCPSA-N 396.399 3.071 5 40 GGBB Cc1ccc2cc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(=O)[nH]c2c1 4032828 FDWRKAZABRNNHS-UHFFFAOYSA-N 385.807 3.371 5 40 GGBB COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] 32763303 ALWWLYZBBPGRHR-OAHLLOKOSA-N 375.450 3.232 5 40 GGBB O=c1[nH]c(/C=C/c2ccccc2OCc2ccccc2F)nc(O)c1[N+](=O)[O-] 12375569 NPDYLQSCSXZYMW-MDZDMXLPSA-N 383.335 3.272 5 40 GGBB COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(CCO)c2ccccc2C1(C)C 1509808 UMRWUJOGRLVXTK-OAQYLSRUSA-N 382.416 3.495 5 40 GGBB CCCNC(=O)c1cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2oc1=O 1810924 YRNWOXAMHHMSGP-UHFFFAOYSA-N 396.355 3.060 5 40 GGBB CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 408628800 AOLTUQRTSLYYAN-UHFFFAOYSA-N 396.447 3.214 5 40 GGBB COc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] 11752869 SIXSDQDRYMKEPA-AEFFLSMTSA-N 381.432 3.360 5 40 GGBB CCOC(=O)Nc1cccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 6784686 AWULVYAKXWOTIV-UHFFFAOYSA-N 380.378 3.239 5 40 GGBB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)cc1[N+](=O)[O-] 6861842 JQCCMHIVGSRMEP-UHFFFAOYSA-N 376.384 3.432 5 40 GGBB COc1cccc([C@@H](Nc2nc3sccn3c2[N+](=O)[O-])c2nccn2C)c1 9459825 LJHYPHZALSBINO-CYBMUJFWSA-N 384.421 3.248 5 40 GGBB CCCCN(C)C(=O)C1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 79056522 SRNGNDNZECVVGJ-UHFFFAOYSA-N 379.432 3.153 5 40 GGBB O=[N+]([O-])c1cc2c(c(CN3CCN(c4ccccc4Cl)CC3)c1)OCOC2 57435507 UKFRCAVCTQTNDC-UHFFFAOYSA-N 389.839 3.437 5 40 GGBB O=C(CSc1ncc(CO)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 10336330 CWISTUWDMORXII-UHFFFAOYSA-N 398.444 3.063 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7928420 CZRBAAVHCYYEHD-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB CC(C)CCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 3231063 WXMPSBZPTGFJLU-NRFANRHFSA-N 382.416 3.448 5 40 GGBB COc1cc(OCC(=O)NCCSc2ccc(C)cc2)ccc1[N+](=O)[O-] 66017542 OFKAISUUISLGGY-UHFFFAOYSA-N 376.434 3.199 5 40 GGBB Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc(Br)c1O 226243353 UAJYZSAXZDYOJZ-UHFFFAOYSA-N 381.182 3.389 5 40 GGBB COc1cc(CCNC(=O)CSc2ccccc2C)c([N+](=O)[O-])cc1OC 14076649 CRXPEBYYICLBHY-UHFFFAOYSA-N 390.461 3.371 5 40 GGBB CN(Cc1nnc2n1CCC2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 40058955 PUUSXVBYRBERAK-UHFFFAOYSA-N 392.419 3.148 5 40 GGBB CCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O 6662689 FPJANXREXFDSPX-GOSISDBHSA-N 382.372 3.008 5 40 GGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc(Br)ccc1O 5328282 UQWHPHWWOKHEDQ-JYRVWZFOSA-N 389.161 3.407 5 40 GGBB Cc1cccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1[N+](=O)[O-] 55553551 AQEXTWSOLZHFEY-UHFFFAOYSA-N 382.420 3.245 5 40 GGBB CC(=O)N[C@@H](CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 12777397 PDIVQFDDALUFCR-WBMJQRKESA-N 375.450 3.443 5 40 GGBB CCCN(Cc1ccc(C)cc1)C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 8512419 YZKRCHWZJIJUPS-UHFFFAOYSA-N 394.431 3.052 5 40 GGBB CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95463370 NYAKCODIAKEQKK-HWPZZCPQSA-N 377.328 3.148 5 40 GGBB Cc1cnc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)s1 409167225 HLVBRKZYERDBJP-UHFFFAOYSA-N 377.407 3.141 5 40 GGBB COc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(F)F 11026119 UKQBZIYIMQFKKQ-UHFFFAOYSA-N 381.287 3.245 5 40 GGBB COc1cccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1OC 4479330 SHKNLEWQDCKOIP-UHFFFAOYSA-N 389.389 3.483 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Oc2cnccn2)cc1 40134995 QGWDIFQZMOMLLI-UHFFFAOYSA-N 386.389 3.286 5 40 GGBB COC(=O)c1cc(C(=O)OCc2ccccc2OC(F)F)cc([N+](=O)[O-])c1 10999969 VHYZADLBXPRVLS-UHFFFAOYSA-N 381.287 3.340 5 40 GGBB COc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 23386467 GOXLGJBPWNJGTQ-ZJUUUORDSA-N 376.331 3.463 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 106522612 MHTPAHBOTHMOCV-ZIAGYGMSSA-N 391.468 3.291 5 40 GGBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 3416314 SKHTVGYBVPGZKU-UHFFFAOYSA-N 386.788 3.190 5 40 GGBB CCCCNC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 22535357 QRAZDDDACHSLMC-UHFFFAOYSA-N 391.449 3.067 5 40 GGBB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1 28812310 JJIAKCJYCBQHIK-INIZCTEOSA-N 379.420 3.253 5 40 GGBB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 12912204 DWWMNRNSDSNONJ-UHFFFAOYSA-N 395.337 3.159 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 13960377 JMKYASHNZLWNNN-RDGPPVDQSA-N 394.383 3.362 5 40 GGBB O=C(NC(=S)NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1cccs1 4576844 OGYQRBNDJNYTTL-UHFFFAOYSA-N 398.897 3.416 5 40 GGBB Cc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c(C)c1 5054829 KEKIHWNQKQMUPH-UHFFFAOYSA-N 393.399 3.254 5 40 GGBB CC1(C)[C@]2(C(=O)Nc3cc([N+](=O)[O-])ccc3Br)CC[C@@]1(C)C(=O)O2 1157496 VFENXSBMYVPBTO-JKSUJKDBSA-N 397.225 3.418 5 40 GGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7881394 USHYWGHWXXOAHH-HOCLYGCPSA-N 396.399 3.071 5 40 GGBB N=C1NC(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)S1 8435519 QTAOODWFOKYZTG-VGOFMYFVSA-N 386.345 3.434 5 40 GGBB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 108899918 UFYIEKJQBYEGCH-XQAUZQBESA-N 387.480 3.376 5 40 GGBB O=C(OCc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1NCCO 12645407 DTTMKCYZTDBOFG-UHFFFAOYSA-N 384.310 3.375 5 40 GGBB O=C(COc1ncnc2cc([N+](=O)[O-])ccc12)Nc1ccc(F)c(Cl)c1 3300393 MPDYDEQTKXACTH-UHFFFAOYSA-N 376.731 3.348 5 40 GGBB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 5326791 WJYNPCWHCPPHIN-UHFFFAOYSA-N 391.405 3.027 5 40 GGBB COc1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cn1 8077994 KZNZNKGRCXIOST-UHFFFAOYSA-N 381.392 3.112 5 40 GGBB CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1N(C)C 89314160 QIRNWTDYQGLUQH-OALUTQOASA-N 385.489 3.308 5 40 GGBB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 89919285 VVFLURVYGIEGDJ-BZNIZROVSA-N 399.241 3.209 5 40 GGBB O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 40059986 UUKIQMYOORXNIK-UHFFFAOYSA-N 387.779 3.150 5 40 GGBB Cc1nc2ccccc2c2c(NC(=O)[C@H]3CCS(=O)(=O)C3)c3ccccc3n12 12527435 CNDBEFORVFAKEJ-AWEZNQCLSA-N 393.468 3.322 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12781017 QDFPPOQZQGQZEH-CYBMUJFWSA-N 392.415 3.084 5 40 GGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(C)cc2C)NC(=O)N1 6046368 LHQSNDNSHRJNRE-SFHVURJKSA-N 380.404 3.478 5 40 GGBB Cc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 22257274 OGCRMWOHFRPHSR-UHFFFAOYSA-N 396.403 3.299 5 40 GGBB NC(=O)/C=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409416216 HUBKARHCARGBPZ-YWEYNIOJSA-N 377.194 3.435 5 40 GGBB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 409251799 QHOHQAIJOQNBLZ-OVCLIPMQSA-N 397.387 3.100 5 40 GGBB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225091444 DZLHWEKTWJGGKR-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc(-n2cncn2)cc1 98004814 QWTXWTRNRMGHKA-VIZOYTHASA-N 395.762 3.173 5 40 GGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1 57406069 LUMJZHOCKKCZJD-CQSZACIVSA-N 388.855 3.397 5 40 GGBB CCS(=O)(=O)c1ccc(N2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 63992808 OPQAJTLOWNCFPM-UHFFFAOYSA-N 389.477 3.469 5 40 GGBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCCC2)c1[N+](=O)[O-] 5164302 XKPOBWPQXVHKKY-UHFFFAOYSA-N 396.495 3.416 5 40 GGBB NS(=O)(=O)c1ccc(NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 5688606 MBLVJXSCNWMBAB-UHFFFAOYSA-N 390.248 3.204 5 40 GGBB NC(=O)c1ccc(NCCCNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 32911774 PAUIPLIMEIDHSI-UHFFFAOYSA-N 383.330 3.022 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 8417268 WAIHEQRRXSLBAO-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB CCCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] 25007046 VEDUOMGXSGRIBZ-UHFFFAOYSA-N 376.434 3.051 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(Cl)c2)CC1=O 408644222 SCBKUJVGKIRHPN-LLVKDONJSA-N 389.795 3.248 5 40 GGBB O=C(N[C@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4895454 QAQYMISQJBHFMQ-IBGZPJMESA-N 381.432 3.239 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc(F)cc3s2)CC1 4583457 KRJSFEHOXNCBHH-UHFFFAOYSA-N 386.408 3.306 5 40 GGBB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2c(cc1[N+](=O)[O-])OCO2 32741762 KAMAGBFGAJFZKT-UHFFFAOYSA-N 386.291 3.475 5 40 GGBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21 5030598 NJLBQTDJNFYDDO-AWEZNQCLSA-N 377.448 3.129 5 40 GGBB Cc1ccc2c(c1)c(=O)n(C)c1nnc(COc3ccc(Cl)cc3[N+](=O)[O-])n21 40114260 ZWZSESDMGRIJSI-UHFFFAOYSA-N 399.794 3.030 5 40 GGBB CC(=O)OC1=NN=C(OC(C)=O)C12CC=C(C)C[C@H]2c1ccc([N+](=O)[O-])cc1 1092324 RWTNIHFQMUTISD-INIZCTEOSA-N 385.376 3.257 5 40 GGBB CC(C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O 3138250 CXVGLPBTOVOVJB-UHFFFAOYSA-N 383.360 3.490 5 40 GGBB N=c1nc(-c2ccc([C@@H]3NC(=O)c4ccccc4O3)cc2[N+](=O)[O-])ss1 59488814 DOZOQDIAORHAOW-CQSZACIVSA-N 386.414 3.080 5 40 GGBB CN(C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C 78935100 NSHLTDBYWYDMOR-CYBMUJFWSA-N 381.404 3.205 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCCOc2ccc(F)cc21 84350770 SXTDPYBDOQYTIQ-HNNXBMFYSA-N 378.331 3.282 5 40 GGBB Nc1cc2[nH]c(=O)c3cc(N)c(Br)cc3c2cc1Br 16926710 DBBMWWHQFJHJBW-UHFFFAOYSA-N 383.043 3.371 5 40 GGBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1OC(F)F 2664788 PHSBUXNMGJYBMZ-CMDGGOBGSA-N 392.314 3.391 5 40 GGBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 23291542 MFQYEFYFDKMDPQ-UHFFFAOYSA-N 382.328 3.153 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC(C1CC1)C1CC1 12557460 AASYNWAXNLVPBJ-UHFFFAOYSA-N 379.482 3.370 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 10112366 HLPJXMWGKASTNE-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 57364001 CRJMITQHILBZKB-UHFFFAOYSA-N 392.818 3.148 5 40 GGBB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 408648294 XALMAUJZLWCWOD-UHFFFAOYSA-N 399.403 3.058 5 40 GGBB Cc1ccc(OCCN(C)C(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1 96011686 CISGAODDHQCRIA-UHFFFAOYSA-N 380.404 3.444 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259868 KSVGPXSABVTGKJ-RUDMXATFSA-N 398.394 3.123 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)CNc2ccccc2S(=O)(=O)C(F)(F)F)cc1 32828780 YXCNSAKIOHKNPZ-CYBMUJFWSA-N 390.339 3.034 5 40 GGBB Cc1cccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220133970 ODYDWYRSUCEDNS-CQSZACIVSA-N 391.449 3.005 5 40 GGBB CC[N+]1(C)CC[C@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)C1 5810402 GLOWQWBIEALYCU-GXBCDIMNSA-N 384.496 3.261 5 40 GGBB Cc1c(CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)cccc1[N+](=O)[O-] 40116526 QKXTYDGLSXLAPU-SFHVURJKSA-N 375.331 3.149 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)cc1 2804844 XROOYQHVQHIYCV-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ncc(C(F)(F)F)cc2Cl)cc1 24527627 UKEKRUWTNRFOOU-CHWSQXEVSA-N 391.733 3.168 5 40 GGBB Cc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] 5005153 DYWMQLVSWLAETB-UHFFFAOYSA-N 391.391 3.374 5 40 GGBB Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 409409240 GILAQUHZWSBZMJ-CQSZACIVSA-N 391.449 3.005 5 40 GGBB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1 219825621 RZUZVYIRMSUFOT-UHFFFAOYSA-N 388.376 3.106 5 40 GGBB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8414861 CDNJDPVNPSYNRM-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)[nH]1 10475517 IIRFZVAXDKOPON-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(c2ccccc2F)CC1 55595098 UJUWUSJLUSAURX-OAHLLOKOSA-N 386.427 3.192 5 40 GGBB Cc1cccc2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 105825212 HNMWHKWVMRTEQY-HNNXBMFYSA-N 397.406 3.375 5 40 GGBB Cc1csc(NC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)n1 3411191 NIWDWYBWMOXCTI-ZDUSSCGKSA-N 396.856 3.406 5 40 GGBB CCC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)C1=O 6662690 FPJANXREXFDSPX-SFHVURJKSA-N 382.372 3.008 5 40 GGBB O=C1C[C@@H](c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N2NC=NC2=N1 409378220 NKAUJHSBZKYAGU-HNNXBMFYSA-N 399.794 3.003 5 40 GGBB CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Cl)cc2)C1 408564280 XWILDRPHKZLNTO-SFHVURJKSA-N 389.795 3.081 5 40 GGBB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 225725032 PUQDQOUWNRGPCL-UHFFFAOYSA-N 393.446 3.182 5 40 GGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nc2ccccc2c1=O 5213604 HVQFRDWONGCYOH-UHFFFAOYSA-N 398.444 3.364 5 40 GGBB O=[N+]([O-])c1ccc(N2CCOCC2)c([C@H]2OCCCN2Cc2ccccc2)c1 59489906 CUZCAEVHOJSGTB-OAQYLSRUSA-N 383.448 3.353 5 40 GGBB CC[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1F 72304153 STIZQJKPICXYHT-YOEHRIQHSA-N 382.413 3.062 5 40 GGBB CNS(=O)(=O)c1ccc(N2CCC[C@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 95468389 YJYKPJRSEOENSP-SCOAYWHSSA-N 387.461 3.185 5 40 GGBB O=C(NC(=S)Nc1nccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408625853 FVXNWCHENWCJON-UHFFFAOYSA-N 391.478 3.168 5 40 GGBB COc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17079281 JDNQETWZHWSEQI-UHFFFAOYSA-N 388.430 3.340 5 40 GGBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCCc1c[nH]c2ccccc12 2512851 JYFNZFPAQODJAH-UHFFFAOYSA-N 379.825 3.251 5 40 GGBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 57316885 VKGDXYGKIZRYOE-UHFFFAOYSA-N 384.377 3.169 5 40 GGBB CN(C(=O)CSc1nc(-c2ccccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1 29238860 DIJVHWSNISCDKC-UHFFFAOYSA-N 387.396 3.274 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)NCCC1=CCCCC1 7079394 PGTQUIMGYXPGID-ZDUSSCGKSA-N 376.409 3.155 5 40 GGBB COc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409134096 OSQLZAFMUVBCGJ-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1c(F)cccc1F 57881866 DVLUKRHDKGGYOE-UHFFFAOYSA-N 377.303 3.200 5 40 GGBB O=C(CNC(=O)c1ccccc1)OCc1cc(=O)oc2ccc3ccccc3c12 3508417 OHOREIITWWYRKD-UHFFFAOYSA-N 387.391 3.419 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 216336082 NFIUUKDJANLSNN-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccco1)N1CCCCC1 45797325 XZNGOPGYSKVRNI-MRXNPFEDSA-N 393.465 3.002 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1 2766966 WQZLORVTQNMLFO-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 3282660 OKNPVQAQCCZRKG-SNAWJCMRSA-N 396.186 3.492 5 40 GGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 6083334 DNQNTNDZVJLSDH-SFHVURJKSA-N 389.795 3.094 5 40 GGBB CC1(C)CCc2ccccc2[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 89919506 RXAOTNFIMUCPCZ-IBGZPJMESA-N 381.432 3.155 5 40 GGBB Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 224141730 BAYLDFWWHXTGLR-UHFFFAOYSA-N 384.841 3.222 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-] 15638300 ZLUWOFLPACBLOF-OAHLLOKOSA-N 383.404 3.064 5 40 GGBB C[C@@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1F 7202781 KUHFHDMBZRPTPY-MRVPVSSYSA-N 384.161 3.297 5 40 GGBB COc1ccc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c([N+](=O)[O-])c1 10253469 XFWOMLFGFBYLFG-UHFFFAOYSA-N 378.406 3.038 5 40 GGBB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1ccccc1[N+](=O)[O-] 10903784 BTJHKKDBMJYOAE-UHFFFAOYSA-N 378.432 3.315 5 40 GGBB O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611880 QEBQQFXPTMWXRQ-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB Cc1sc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 25218496 PEAYQHNAPUCTDZ-UHFFFAOYSA-N 391.424 3.138 5 40 GGBB O=C(COC(=O)c1cc(O)cc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl 95426901 DZGCPKXQQWINLG-UHFFFAOYSA-N 385.159 3.403 5 40 GGBB CC1CCN(c2ccc(C(=O)Nc3ccc(O)c(C(=O)O)c3)cc2[N+](=O)[O-])CC1 20142646 ODTQYLABQUFXSO-UHFFFAOYSA-N 399.403 3.487 5 40 GGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 22728084 UQBSHSFTKMUNNJ-NSHDSACASA-N 388.811 3.424 5 40 GGBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] 705253 SGNBBAOORGZOHW-MRXNPFEDSA-N 380.447 3.040 5 40 GGBB C[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400124 LDNIXFUJPYWOOZ-LLVKDONJSA-N 397.840 3.041 5 40 GGBB Cc1ccc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)cc1 8587169 OAAWYHNDKYNKKS-UHFFFAOYSA-N 379.420 3.372 5 40 GGBB COc1cc(CCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc(OC)c1OC 18234471 JAZUKHYOOROREX-UHFFFAOYSA-N 386.404 3.143 5 40 GGBB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225037136 BITCVYDTWXEVJH-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 585079689 XMABIIBCVXESPL-UHFFFAOYSA-N 387.440 3.306 5 40 GGBB COc1cc(OC)cc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)c1 4769859 SJNPXQYDOWXDOQ-UHFFFAOYSA-N 383.389 3.445 5 40 GGBB Cc1cccc(-n2c(CNC(=O)c3cccc([N+](=O)[O-])c3C)n[nH]c2=S)c1 13524403 CDGHQNORXABCHD-UHFFFAOYSA-N 383.433 3.385 5 40 GGBB O=C(O)CC12C[C@@H]3C[C@@H](C1)CC(n1cc(Br)c([N+](=O)[O-])n1)(C3)C2 100772585 LIFHFMVOSXLOLB-FUJWFWLKSA-N 384.230 3.324 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NC(C)(C)C 14397109 PROSVLVMZYIQQH-UHFFFAOYSA-N 391.449 3.232 5 40 GGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)ccc1O 1735810 UQWHPHWWOKHEDQ-MDWZMJQESA-N 389.161 3.407 5 40 GGBB Cc1cc2cc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)[nH]c2cc1C 8684019 BQZRAZXVWNUUIA-UHFFFAOYSA-N 379.416 3.334 5 40 GGBB COc1ccc(N2C3=[N+](CCCCC3)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 1909454 HZKYSRQQWRJSFU-OAQYLSRUSA-N 382.440 3.254 5 40 GGBB CN(C)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 6552633 DQVWWAMPBMULIU-UHFFFAOYSA-N 398.448 3.193 5 40 GGBB O=C(O)COc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 8187266 UULXVQIWTWMOAI-UHFFFAOYSA-N 392.323 3.012 5 40 GGBB O=C(NCc1ccccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9377003 SXZJVZRTUHDYLX-UHFFFAOYSA-N 375.812 3.015 5 40 GGBB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24744034 XGHLACVSDMWAMY-UHFFFAOYSA-N 379.376 3.497 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)c(NC(C)=O)cc1OC 4834682 YIDZMFGSVHSTBS-UHFFFAOYSA-N 393.783 3.476 5 40 GGBB C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399046 DULVXWJKHKZCFL-UGSOOPFHSA-N 375.432 3.175 5 40 GGBB CCCOc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 4365394 CVSCLOWAHGGIJV-UHFFFAOYSA-N 376.340 3.318 5 40 GGBB COc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 12785816 DGCWBDQAPQAGQB-JTQLQIEISA-N 376.390 3.421 5 40 GGBB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 8489864 WCGNOMDDDZONIE-LLVKDONJSA-N 399.399 3.470 5 40 GGBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(C)=O 408559276 WIPDZUNSEJZKOA-UHFFFAOYSA-N 393.421 3.061 5 40 GGBB CC(C)COc1cccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)c1 408628150 QAUGAOUWPBUYOF-UHFFFAOYSA-N 388.449 3.261 5 40 GGBB O=c1c(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])coc2c(Cl)cc(Cl)cc12 409377901 KFSLDFBEZQMQFF-OWOJBTEDSA-N 396.142 3.380 5 40 GGBB Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)Nc3ccnn3C)c12 36618530 WMABIZACUMTCAV-UHFFFAOYSA-N 378.348 3.092 5 40 GGBB O=[N+]([O-])c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1 40414172 NHAFQHNHVHDFQT-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 224540775 FFEYVTAVPXPKNA-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2 8379672 CZZDHCMEULTZJH-UHFFFAOYSA-N 379.781 3.104 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)[C@H]([n+]1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 105347468 XWPQDYQNDPQOMZ-SFHVURJKSA-N 379.308 3.317 5 40 GGBB O=C(O)Cc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 20142592 HLNACWZRBRCKGR-UHFFFAOYSA-N 383.404 3.465 5 40 GGBB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1 8816491 QZINJHJWNGDGMU-NSHDSACASA-N 389.795 3.248 5 40 GGBB O=C(COc1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663605 OQUHEPRCIJZZLY-UHFFFAOYSA-N 391.427 3.476 5 40 GGBB CN(Cc1cccc([N+](=O)[O-])c1)[C@H](C(N)=O)c1cccc(Br)c1 95449759 DXYDBSADHSUTSK-HNNXBMFYSA-N 378.226 3.016 5 40 GGBB COc1cc(C)c(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408549210 QVFLEHXXGBQANK-SXGWCWSVSA-N 397.387 3.013 5 40 GGBB CCCCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 30855219 WWXCWLXKXYMNGQ-UHFFFAOYSA-N 392.433 3.494 5 40 GGBB Cc1nn(CC(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)c(C)c1[N+](=O)[O-] 48366978 YFURGAQPPJJZDF-CQSZACIVSA-N 385.468 3.421 5 40 GGBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 225038535 HRNVADFNQBCZAS-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(C(C)C)cc1 225072016 WLFYPXYUXZARHP-UHFFFAOYSA-N 392.433 3.307 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3cc(Cl)cc4c3OCOC4)CC2)cc1 57449510 JTSNCSDYTXQRBF-UHFFFAOYSA-N 389.839 3.437 5 40 GGBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 17086048 ZVDYILPCOVPBGX-BCTVWOGZSA-N 387.417 3.364 5 40 GGBB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 14244958 RXVZMZIZWWXEPL-CQSZACIVSA-N 399.407 3.282 5 40 GGBB CCCCC[C@H]1C[C@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 4600871 WORCYIYHCAMEQJ-DOMZBBRYSA-N 393.465 3.310 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 7079437 CVSPWNRICBWTNX-STQMWFEESA-N 384.388 3.127 5 40 GGBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccccc1 408572698 RVDBXDAXIOLZET-KRWDZBQOSA-N 384.417 3.415 5 40 GGBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C)c1 225498140 MCLMFVJKVYOKRH-KRWDZBQOSA-N 397.475 3.388 5 40 GGBB Cn1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)nc2ccccc21 3068076 PKTWRORCOUJWCY-UHFFFAOYSA-N 375.728 3.295 5 40 GGBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1c(Cl)cccc1Cl 3253241 GVJXRRPSEALESQ-UHFFFAOYSA-N 394.170 3.136 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NN(Cc2ccccc2)Cc2ccccc2)cc1 10338819 WPOBUSSPAIUUPP-UHFFFAOYSA-N 397.456 3.491 5 40 GGBB C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10716785 RVAMQMUGSPXLOU-VIFPVBQESA-N 392.751 3.161 5 40 GGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1Cc1ccccc1 5515953 IXDQBKKTTIXPOJ-UHFFFAOYSA-N 377.312 3.452 5 40 GGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 9328016 IBVSDCUPJKHEPY-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998618 BNVKVLMWLQQWSQ-HNNXBMFYSA-N 394.424 3.260 5 40 GGBB O=C(CSc1ncnc2c1sc1nc3ccccc3cc12)N1CCOCC1 35313190 ZFKHVEKLPAYOIV-UHFFFAOYSA-N 396.497 3.344 5 40 GGBB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408638653 CXJNYBIRVXYFBX-CQSZACIVSA-N 383.404 3.157 5 40 GGBB COc1cccc(C(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c1 4686327 UNBOMAOVRJMQDA-OAHLLOKOSA-N 378.768 3.203 5 40 GGBB Cc1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 1775976635 CNPKOIFJSCCYKS-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 31633463 YLHKJMUAQKHXDI-UHFFFAOYSA-N 381.436 3.443 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 3544159 SIRNCEAQZSEFJV-GFCCVEGCSA-N 399.432 3.303 5 40 GGBB C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12895568 ZGXPNTGTLIDUHA-LBPRGKRZSA-N 388.351 3.267 5 40 GGBB CCOC(=O)c1cc(C(=O)NCc2nc3ccccc3n2CC)cc([N+](=O)[O-])c1 39984990 OSQUNBNDIPNNCW-UHFFFAOYSA-N 396.403 3.071 5 40 GGBB COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1[N+](=O)[O-] 6793969 BXEHMRJNDKNZRT-UHFFFAOYSA-N 396.384 3.078 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc2c(c1)OCCO2 96021424 WROVMAQABVZRFN-UKTHLTGXSA-N 377.356 3.020 5 40 GGBB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1Cl 47218774 UIHXNTJQNLDZSG-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB Cn1cc([N+](=O)[O-])c(C(=O)N2CCCc3c(Br)cc(Cl)cc32)n1 585138305 CSWIAVYBUBMOPC-UHFFFAOYSA-N 399.632 3.337 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1738101 DVKIJDBYSNYSLZ-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB Cc1cc(=O)c(C(=O)N2CCC[C@H]3CCCC[C@H]32)nn1-c1ccccc1[N+](=O)[O-] 21901826 OUNGPDSVPGKXAD-HZPDHXFCSA-N 396.447 3.244 5 40 GGBB COc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C 22061592 ZHLVXGPXPPTOQJ-QGZVFWFLSA-N 388.420 3.102 5 40 GGBB COc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3158272 FEVVKLSLJDIPKC-UHFFFAOYSA-N 393.311 3.465 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 3287529 XDSQCBFGSNOFJO-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 13187127 LHMGETWBYGGFJV-UHFFFAOYSA-N 384.266 3.329 5 40 GGBB CNc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 102095851 RRJKATUCNOCGIZ-UHFFFAOYSA-N 375.297 3.014 5 40 GGBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 408535041 SEXGNQMENMCCHP-UHFFFAOYSA-N 381.392 3.419 5 40 GGBB CCOc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 7735714 XEXBPBSYQNMYNT-UHFFFAOYSA-N 397.387 3.199 5 40 GGBB Cc1ccc(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-] 10544163 TVJDZPPWOUGYQQ-HNNXBMFYSA-N 376.434 3.484 5 40 GGBB Cc1c(OCC(=O)N[C@@H](CC(C)C)C(=O)O)ccc2c1oc(=O)c1ccccc12 2159329 SDZFNCRVZPDAQZ-KRWDZBQOSA-N 397.427 3.249 5 40 GGBB biogenic COc1cc([N+](=O)[O-])cc2cc(C(=O)Oc3cccc4ncccc34)c(=O)oc12 4745183 IMJCMARXMVBBSQ-UHFFFAOYSA-N 392.323 3.477 5 40 GGBB CC(C)[C@@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 7121351 VXEHDRZGMJBWDI-MRXNPFEDSA-N 375.406 3.078 5 40 GGBB CC(C)c1ccc2c(c1)[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)N2 96011924 TWYFVSNANRJXSN-IBGZPJMESA-N 382.420 3.330 5 40 GGBB O=C(CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccc2c(c1)OCCCO2 29890640 ZOACJQLJEPULDU-UHFFFAOYSA-N 396.399 3.308 5 40 GGBB C[C@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 21134277 AUQBXPFGEPONET-QWHCGFSZSA-N 380.466 3.456 5 40 GGBB O=C(CNC(=O)c1ccco1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6226105 DDSZHJUZNKVXTC-UHFFFAOYSA-N 396.355 3.453 5 40 GGBB O=C(OCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521961 VAQAQAYEBXLZSE-UHFFFAOYSA-N 376.796 3.442 5 40 GGBB CCC(=O)N1[C@@H](c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 3204391 GHBGVJFPZCWYHG-XLIONFOSSA-N 393.399 3.413 5 40 GGBB COCCCn1c(-c2cccs2)nc2c(c(=O)c3ccccc3n2C)c1=O 2225464 KRQULMMVIWHUKY-UHFFFAOYSA-N 381.457 3.013 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(Br)c1 12924197 BSHUEVKKZRXSBL-UHFFFAOYSA-N 397.250 3.417 5 40 GGBB COc1ccc([C@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)N2CCCCC2)cc1 5689750 MAEJNZDTQSSYQV-FQEVSTJZSA-N 398.463 3.143 5 40 GGBB Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] 68362395 DRPDDAJDVISTLN-INIZCTEOSA-N 389.408 3.196 5 40 GGBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)/C=C/c1ccc2c(c1)OCO2 35586225 ACOFQRFXKIWAGB-GQCTYLIASA-N 390.373 3.214 5 40 GGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 36329905 JCAWPMHPDZNVEB-SUYBPPKGSA-N 388.420 3.195 5 40 GGBB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 14404700 HQDFVOKKZMSESL-UHFFFAOYSA-N 379.376 3.439 5 40 GGBB CCN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 26906763 YMDSARPDJRBHNW-UHFFFAOYSA-N 398.444 3.378 5 40 GGBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cccc1C(=O)O 6571303 JIMNKXYNLQAPLQ-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 12987066 HZLOVZYHPQJRSN-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB O=C(COC(=O)CCOc1ccccc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5857059 SIFKNJBCNQECCQ-UHFFFAOYSA-N 378.768 3.199 5 40 GGBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 6940701 ZVAVAQHTEZYSDP-NSHDSACASA-N 399.856 3.305 5 40 GGBB Cc1nc(C2(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CCCCC2)no1 46800187 AOZIFKKBZXPZCE-UHFFFAOYSA-N 394.453 3.041 5 40 GGBB CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 9067667 HYAVMLAENHHWDP-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COc1c2c(cc3c1[C@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 100748368 NDEKLSGDZJXAAG-ULQDDVLXSA-N 392.516 3.054 5 40 GGBB biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(OCC(F)(F)F)cc1 13006866 IVJJEPBRRRCRCB-UHFFFAOYSA-N 390.339 3.014 5 40 GGBB CCOc1ncccc1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 14529901 RJAFOBZEQBVQJG-UHFFFAOYSA-N 398.341 3.249 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1[N+](=O)[O-] 72301042 XJJGCLIYFKFOHW-UHFFFAOYSA-N 376.312 3.428 5 40 GGBB COc1ccc(C(=O)N(CCN(C)C)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 58014573 UWFYIBJIJFPLEV-UHFFFAOYSA-N 391.855 3.461 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 12742840 YTTFXTWXPLZSSB-LLVKDONJSA-N 382.376 3.046 5 40 GGBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 6615255 DSHMSFLPCSBMJT-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 6924305 SZQUKSDPJDSYML-QGFMHUBQSA-N 394.383 3.362 5 40 GGBB CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccccc1[N+](=O)[O-] 2701052 GACBASUTDFWVGC-UKRRQHHQSA-N 389.433 3.197 5 40 GGBB Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3)nn12 57313135 DPTTWAFRBAJWIM-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB O=C(NCc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] 23955876 SFBSAUABPCFCON-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25376247 YYHFJVKLRCIRDZ-VHSXEESVSA-N 382.360 3.003 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9667496 MCRPWGZIDAQXOA-NSHDSACASA-N 389.795 3.248 5 40 GGBB CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C1=O 408820524 YHYMEDCJWLJGGG-QPEQYQDCSA-N 375.318 3.429 5 40 GGBB Cc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])cc(Br)c1O 226243343 LKQDMCAEMKHQFB-UHFFFAOYSA-N 381.182 3.389 5 40 GGBB Cc1nc(Nc2cccc(CO)c2)nc(Nc2cccc(CO)c2)c1[N+](=O)[O-] 5360792 HCSWNWOKZMDMKA-UHFFFAOYSA-N 381.392 3.165 5 40 GGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCO2 2468346 JYOUTFYCAJVBET-UHFFFAOYSA-N 398.400 3.240 5 40 GGBB O=C(NCc1cccnc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 897990 KXTJBNJXQHJBTB-UHFFFAOYSA-N 376.372 3.172 5 40 GGBB CC(C)c1ccc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 44499273 MVSXBWDKSHPABW-UHFFFAOYSA-N 382.464 3.395 5 40 GGBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6064780 ZQNZLPKNEQZUKO-AWEZNQCLSA-N 389.452 3.189 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 5111484 WZFQCHREOUSZEI-UHFFFAOYSA-N 398.293 3.418 5 40 GGBB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1ccc([N+](=O)[O-])cc1 5187809 PMGHRTCQNIBMCS-INIZCTEOSA-N 381.171 3.314 5 40 GGBB CC(C)C(=O)Nc1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 18901461 MXKYTWALJDFTNR-UHFFFAOYSA-N 377.422 3.336 5 40 GGBB Cc1ccc(CSCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 18202089 GGIWULJAFFBJRS-UHFFFAOYSA-N 375.406 3.475 5 40 GGBB Cc1ccc(N2C[C@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C 4497069 NNFVVGINKOOZST-XBMZPMPPSA-N 379.416 3.147 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 5189458 GYPAFJUZBCPBTB-UHFFFAOYSA-N 398.824 3.059 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 25830104 NHUOLYQSXDMMNP-CYBMUJFWSA-N 381.388 3.081 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 5234127 IOFKDUVXGWSUCM-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB O=C(COC(=O)COc1cccc2ccccc12)Nc1ccc(F)c([N+](=O)[O-])c1 6945758 SJNYTGTWZXPHGT-UHFFFAOYSA-N 398.346 3.448 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNS(=O)(=O)c1ccc(F)c(F)c1 7779344 JSSAPSJBEQSICY-UHFFFAOYSA-N 397.281 3.197 5 40 GGBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2F)CC1 72328751 FRJYZLAGQVYMPM-UHFFFAOYSA-N 395.394 3.086 5 40 GGBB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cccc([N+](=O)[O-])c1 71980434 UZDMFMSFJUWRGY-CZDRUDQFSA-N 390.436 3.453 5 40 GGBB CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 245224652 AMVSXUNJUVIMKS-LVCYWYKZSA-N 392.459 3.147 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 20133747 FVFBUBRUIFMLQJ-INIZCTEOSA-N 386.335 3.197 5 40 GGBB O=C1N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[C@]12CC(O)=Nc1[nH]ncc12 20728287 KELMLWNNOXXWGP-FQEVSTJZSA-N 389.371 3.143 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2ncccc2[N+](=O)[O-])cc1 24153447 CDXUTXHMODGPSJ-CYBMUJFWSA-N 378.454 3.193 5 40 GGBB COc1ccccc1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccn1C 12507622 NKCRLAWUIJPSHM-QGZVFWFLSA-N 381.392 3.248 5 40 GGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1 36410171 DCYOIZABNOOFMO-LSDHHAIUSA-N 396.447 3.352 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 8507661 NQKPBGZKOXDMET-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB O=C1NCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc21 683565017 OMYMTMHIXRBWOL-UHFFFAOYSA-N 383.407 3.220 5 40 GGBB CC[C@@H]1CCc2c(sc3ncn4nc(Cn5nc([N+](=O)[O-])cc5C)nc4c23)C1 2803801 QMEBMBPQZYTTHC-LLVKDONJSA-N 397.464 3.315 5 40 GGBB Cn1nc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4164359 XUJXDHQDZRSXAS-CQSZACIVSA-N 380.404 3.100 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1O 7813615 BENYVRBZRWWJAL-SECBINFHSA-N 394.767 3.146 5 40 GGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 205763460 PFDJZGMVQZASOL-RIYZIHGNSA-N 388.357 3.064 5 40 GGBB O=c1c2ccccc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccccc1 4877385 YRPBJBVPWRAQKC-UHFFFAOYSA-N 387.395 3.168 5 40 GGBB CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 2796554 ATNHCVFFRSSLPZ-UHFFFAOYSA-N 379.376 3.316 5 40 GGBB CNC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 1091785 VHMTYVUXACQEBL-NRFANRHFSA-N 379.416 3.241 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C31CC1 100171731 YIYRSRIZYGXCCZ-TXFQPVFDSA-N 389.205 3.059 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCOc3ccccc32)c([N+](=O)[O-])c1 24976082 NOAJAXQTPVHVHY-OAHLLOKOSA-N 391.449 3.217 5 40 GGBB C[C@@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 25066679 SXGPUUVSKCOYMH-GFCCVEGCSA-N 380.360 3.169 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(c2ccccc2)CCCC1 25768050 KBHPJMPVVVQTKI-UHFFFAOYSA-N 390.461 3.394 5 40 GGBB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 12906183 MGLHFBYIEYMROF-JIIJFUIFSA-N 379.416 3.485 5 40 GGBB COc1ccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1Cl 15656544 KWGKUTPHINISNM-UHFFFAOYSA-N 395.824 3.087 5 40 GGBB Cc1cc(C)cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 20611874 YPJQKJLLKMVLAR-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB Cc1cc(N)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 22089220 SKXYQCROEBRIFF-UHFFFAOYSA-N 387.343 3.025 5 40 GGBB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c1 217897896 FGUKFDKAYORRNL-DHZHZOJOSA-N 394.387 3.325 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5269029 CBKHBXMMQVJJAL-UHFFFAOYSA-N 397.362 3.205 5 40 GGBB CCOc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCC3)cc1 2966395 LYAIXYBHUWWBLQ-NRFANRHFSA-N 382.440 3.254 5 40 GGBB COc1cc2c(cc1OC)CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2 2357230 NQLAVWOFZXRNAT-UHFFFAOYSA-N 376.796 3.464 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 408650804 BSBXYEZHRSLFEF-AWEZNQCLSA-N 384.388 3.179 5 40 GGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3cccs3)n2)cc1 17080967 SCRPSGRPPNDACN-UHFFFAOYSA-N 396.388 3.209 5 40 GGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 205783199 RZXJKJKIEFPWQD-WUXMJOGZSA-N 384.797 3.236 5 40 GGBB CC(=O)Nc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 16159822 OIDCQAJTDQOMLR-UHFFFAOYSA-N 388.323 3.405 5 40 GGBB CCOC(=O)Nc1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 23148426 DDAYJGWSCVMDRG-UHFFFAOYSA-N 380.378 3.239 5 40 GGBB CCNc1cc(N2CCN(C(=O)c3cccc(OCC)c3)CC2)ccc1[N+](=O)[O-] 4703661 YIOCOGXEXYHNBG-UHFFFAOYSA-N 398.463 3.388 5 40 GGBB CCOc1cc(CNC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)ccc1OC 72329433 GRYCNLCKXNBDPP-UHFFFAOYSA-N 396.403 3.322 5 40 GGBB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 97998205 GWZVQAKCPRLTKY-SFQUDFHCSA-N 377.356 3.066 5 40 GGBB Cc1ccc(N2C[C@@H](NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)CC2=O)cc1C 4497070 NNFVVGINKOOZST-IVEQORNPSA-N 379.416 3.147 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 103933704 JQBYAUWXLXCAND-AATRIKPKSA-N 388.292 3.072 5 40 GGBB Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC[C@H]3CCCO3)c12 36618506 CLLVMZGITJFCAL-CQSZACIVSA-N 382.376 3.015 5 40 GGBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc(C)c1CC 6619277 RBJOISHYBAUDHL-UHFFFAOYSA-N 394.453 3.156 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccccc1-n1ccnc1 38771445 ISFMZMVIMQLDQG-UHFFFAOYSA-N 382.445 3.330 5 40 GGBB COc1ccccc1[C@H]1SCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5662187 XNRNVQMYETUDGI-QGZVFWFLSA-N 389.389 3.399 5 40 GGBB Cc1ccc(C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cc1[N+](=O)[O-] 5992922 PGZOXNHWJAWGOC-UHFFFAOYSA-N 391.309 3.458 5 40 GGBB Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ncc([N+](=O)[O-])s3)c2=O)c1 5270112 NQEUBZZVNJEMDU-UHFFFAOYSA-N 384.417 3.130 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1cccc([N+](=O)[O-])c1 6882744 JUXLCJVNNNNWHG-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB Cc1c(CSc2nnc(-c3cccs3)n2CC(N)=O)cccc1[N+](=O)[O-] 40127874 UDGIHMWHBLJAGL-UHFFFAOYSA-N 389.462 3.001 5 40 GGBB C[C@H]1CCc2ccccc2N1CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 32934466 KQXJJCPNRKEIAL-AWEZNQCLSA-N 389.477 3.252 5 40 GGBB C[C@@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2 102622458 HJRAEQKPMOWDLT-FXUDXRNXSA-N 384.436 3.382 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(I)c1 682808 IXPLHAJRGKVWJF-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCCN1CCCCC1 22610409 ZMFWTWNLBCTUIS-UHFFFAOYSA-N 377.488 3.147 5 40 GGBB C[C@]12C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)N1CCc1c2[nH]c2ccccc12 4073638 DWWSTTNOGWAAFW-FQEVSTJZSA-N 394.362 3.455 5 40 GGBB biogenic COc1ccc([C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 6602485 JEYUITOLIIDDCK-HXUWFJFHSA-N 383.448 3.099 5 40 GGBB C[C@H](OC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1)C(=O)NC(C)(C)C 15816666 MHTPAHBOTHMOCV-KGLIPLIRSA-N 391.468 3.291 5 40 GGBB CC(C)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 20611741 SBILIGPZHRHJDX-UHFFFAOYSA-N 385.420 3.471 5 40 GGBB Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 408626975 JTRPCOLJPJKUKL-UHFFFAOYSA-N 385.449 3.025 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)c1 409381937 PJHJVNLBWMVIDD-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2ccc(C)c(C)c2)CC1=O 408650807 BSBXYEZHRSLFEF-CQSZACIVSA-N 384.388 3.179 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 18042630 UDSXLUPJNLUJKW-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB CCOC(=O)C[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 3622605 IAOKNUOHQVCTFZ-KRWDZBQOSA-N 386.404 3.336 5 40 GGBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 4148006 QHVIPAMBZMYYGC-UHFFFAOYSA-N 391.449 3.395 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCCNC(=O)c1cccs1 25832014 AVUVAKBWNPKWDV-ZDUSSCGKSA-N 375.450 3.386 5 40 GGBB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1cccc([N+](=O)[O-])c1 3228411 BTMXXWUYUUEZDJ-UHFFFAOYSA-N 391.383 3.427 5 40 GGBB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccc(F)cc1[N+](=O)[O-] 6888734 FYJDBKBGVIWMFV-UHFFFAOYSA-N 388.138 3.231 5 40 GGBB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 17086051 ZVDYILPCOVPBGX-ZKANADHPSA-N 387.417 3.364 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1cccc(CN2CCCCC2)c1 224664155 YPQODNOLZAKOIL-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(C)(=O)=O 224057754 MRSDKGWWEAZRRB-UHFFFAOYSA-N 399.513 3.000 5 40 GGBB CCCCc1nc2c3ccccc3n(Cc3ccc([N+](=O)[O-])cc3)c(=O)n2n1 1889085092 PHDRVRINGDIRHQ-UHFFFAOYSA-N 377.404 3.343 5 40 GGBB O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 885730 AHXWQVZYAHIUAF-MRXNPFEDSA-N 379.294 3.204 5 40 GGBB COc1ccc(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)cc1 2974592 WZPQXUVEFXGPQL-NRFANRHFSA-N 382.440 3.254 5 40 GGBB O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc([N+](=O)[O-])c1 5139132 GWRMZVPCHJKWSN-UHFFFAOYSA-N 381.779 3.192 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5753721 WXPVDBWFZJRVOG-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COC(=O)c1cc(C(=O)Nc2nc3ccc(F)cc3s2)cc([N+](=O)[O-])c1 6343086 MUFACDPIFPEPAD-UHFFFAOYSA-N 375.337 3.383 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)c2cccc3cccc1c23 8161766 DITAVXZSTOSBNF-UHFFFAOYSA-N 377.356 3.356 5 40 GGBB O=[N+]([O-])c1ccc(F)cc1NS(=O)(=O)c1ccc(Br)cc1 96111282 HZUVSYRUAPVGNX-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB O=C(c1ccccc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 885727 AHXWQVZYAHIUAF-INIZCTEOSA-N 379.294 3.204 5 40 GGBB Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCCCC1=O 5329865 JFONVABWENZZAI-UHFFFAOYSA-N 389.433 3.221 5 40 GGBB Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2711591 JUUWSXGFZQLTJG-UHFFFAOYSA-N 391.474 3.197 5 40 GGBB Cc1cc(=O)c(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 32778165 FFSRSMCPTURCJE-HNNXBMFYSA-N 392.415 3.282 5 40 GGBB COC(=O)c1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 4852819 IWBYQUPXGJMTKN-KXBFYZLASA-N 383.360 3.151 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ncc(C(F)(F)F)cc2Cl)cc1 24527624 UKEKRUWTNRFOOU-STQMWFEESA-N 391.733 3.168 5 40 GGBB NC(=O)c1ccc(CN2CCC(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])c1 57358873 HOPRIAVJXXPMCA-UHFFFAOYSA-N 380.404 3.215 5 40 GGBB O=C(NCCc1c(-[n+]2ccccc2)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 2543503 YQKSJAABKLHPII-UHFFFAOYSA-O 387.419 3.325 5 40 GGBB O=C1CCCN1c1ccc(S(=O)(=O)Oc2cccc(Cl)c2)cc1[N+](=O)[O-] 4611161 CTORICRYYYQTGT-UHFFFAOYSA-N 396.808 3.143 5 40 GGBB CC(C)(C)c1nc(CN2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)no1 79076522 AEQYOSJGBZXSRO-UHFFFAOYSA-N 396.451 3.146 5 40 GGBB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222754410 LKTPWQXFZCELFW-ROUUACIJSA-N 379.445 3.383 5 40 GGBB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(-c3ccco3)n2)cc1 12446611 XLWXAIXCEYKNEG-UHFFFAOYSA-N 394.347 3.048 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 103155487 SZQUKSDPJDSYML-YRXWBPOGSA-N 394.383 3.362 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 9229353 KVNZEULBFVMHNW-KQPPXVQYSA-N 395.415 3.156 5 40 GGBB CCC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC 408697711 LHJPBHSPJPILMT-UHFFFAOYSA-N 393.421 3.061 5 40 GGBB COc1cccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c1 217891830 HVJXZUKDHJAFBT-MDZDMXLPSA-N 394.387 3.325 5 40 GGBB CC(=O)N1CCC(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 32781078 UMOWAUVEPQPQFS-UHFFFAOYSA-N 391.811 3.249 5 40 GGBB CCCCCN(CCCCC)C[C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 6398454 UFUSSAOAZXTAMK-KRWDZBQOSA-N 381.521 3.369 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(Br)c1 6623519 FJBBILJWLRNKPY-UHFFFAOYSA-N 380.198 3.417 5 40 GGBB CCOC(=O)c1cc(C(=O)NCc2cc(-c3ccccc3)on2)cc([N+](=O)[O-])c1 58195345 SNWPHEMHCMRZHZ-UHFFFAOYSA-N 395.371 3.357 5 40 GGBB Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 63817600 JLBIIUYYCMESPQ-CQSZACIVSA-N 377.441 3.280 5 40 GGBB C[C@H](Sc1nc2c3ccccc3ncn2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 14162622 CSPDOPAKXVJDBX-NSHDSACASA-N 394.416 3.305 5 40 GGBB COc1cc(NC(=O)CSc2nc(C)c(C)c(C)n2)c(C)cc1[N+](=O)[O-] 7253537 HVASZOOPXOTOIQ-UHFFFAOYSA-N 376.438 3.358 5 40 GGBB C[C@@H](OC(=O)c1c(F)cc(N)cc1F)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 72312511 KZOCFNOIISXZCQ-MRVPVSSYSA-N 390.302 3.423 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4903548 JEPNUQLYKOQQOJ-UHFFFAOYSA-N 394.416 3.454 5 40 GGBB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 6788275 INSZGKXNAYWIAA-SECBINFHSA-N 389.433 3.141 5 40 GGBB COC(=O)c1ccccc1C(=O)c1ccc(NC2CCC(O)CC2)c([N+](=O)[O-])c1 24992726 SJECDRBIANNWHP-UHFFFAOYSA-N 398.415 3.328 5 40 GGBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1CCO 5515090 PIRYEQCEEVELME-UHFFFAOYSA-N 378.340 3.129 5 40 GGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2nsnc2c1 21595714 ZBWSGPLQLBEAGB-UHFFFAOYSA-N 393.837 3.380 5 40 GGBB Cn1c(=O)sc2cc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)ccc21 225021543 WFOSBJFCPUWGEX-UHFFFAOYSA-N 389.458 3.380 5 40 GGBB Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C 225478660 JIIXAZXTPNRUIX-KRWDZBQOSA-N 397.475 3.388 5 40 GGBB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2619424 APNGQUHZAHZVLW-SECBINFHSA-N 377.813 3.410 5 40 GGBB COCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2223757 WYFUVCRAJAVALX-UHFFFAOYSA-N 384.432 3.206 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409242921 PTGLCJMNIXHGIT-LDADJPATSA-N 381.388 3.477 5 40 GGBB Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220398944 SFDOIWHPJWWALM-CQSZACIVSA-N 391.449 3.005 5 40 GGBB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 2244292 PMAXTLKKSQZVKQ-ZDUSSCGKSA-N 393.469 3.454 5 40 GGBB Cc1cc(I)cnc1NC(=O)c1cccc([N+](=O)[O-])c1C 6572496 WHZFBNHKMZOTJF-UHFFFAOYSA-N 397.172 3.464 5 40 GGBB Cc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)ccc1[N+](=O)[O-] 12730070 DOIPHRKTUJKUCS-BETUJISGSA-N 390.465 3.221 5 40 GGBB O=C1N/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 4702406 FUHYWSKSAUZWHP-AUWJEWJLSA-N 375.743 3.480 5 40 GGBB CCN1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)Oc2ccccc21 7257342 XBTFSSTYEVMCCS-INIZCTEOSA-N 398.463 3.020 5 40 GGBB COc1cccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)n2)c1 217878401 WMOWIXBDNNYXNO-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 12629970 SZOJYJQBSZGWFE-LBPRGKRZSA-N 381.348 3.180 5 40 GGBB Nc1ccc(C(=O)OCCOc2cccc(Br)c2)cc1[N+](=O)[O-] 5228718 PDSATQCRQHILTJ-UHFFFAOYSA-N 381.182 3.175 5 40 GGBB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c1 6465345 XVHYBZZELQJANA-AWEZNQCLSA-N 386.404 3.044 5 40 GGBB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5657981 VWOATUHOIAJERM-SUYBPPKGSA-N 378.425 3.338 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100185311 YIFWIYGNJAJPNK-LBLXLQPISA-N 377.194 3.059 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccc(Br)cc1F 7706629 HYDWAWVQZSXDJQ-UHFFFAOYSA-N 379.141 3.293 5 40 GGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95958463 MMTRIKDCJRPHRC-QWHCGFSZSA-N 395.431 3.499 5 40 GGBB Cc1nc2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 8135097 FLHUBWYWJYYSBS-UHFFFAOYSA-N 393.447 3.283 5 40 GGBB Cc1c(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cccc1[N+](=O)[O-] 408623192 RFRZXRDWEAMTOD-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@@H]34 1534771269 AVRZAJRDJDMMDG-VUIYVZMTSA-N 395.523 3.016 5 40 GGBB biogenic Cc1ccc(S(=O)(=O)NCCOc2ccccc2C(C)C)cc1[N+](=O)[O-] 78923861 YONCVZPTBZDGCD-UHFFFAOYSA-N 378.450 3.384 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])C31CC1 4201563 YIYRSRIZYGXCCZ-IOQCUFBNSA-N 389.205 3.059 5 40 GGBB Cc1nc2ccccc2c(=O)n1NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 6494166 IGORMDMUCUBQLE-UHFFFAOYSA-N 389.824 3.207 5 40 GGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cccc(C(F)(F)F)c1 6534097 UICOAFLEFGHCBU-SECBINFHSA-N 397.309 3.380 5 40 GGBB CCOc1ccccc1N1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 995095 IRKUYQXRVRPUOQ-ZHACJKMWSA-N 381.432 3.356 5 40 GGBB O=C(CCCOc1ccc(F)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCO2 12932627 MYZTYPLPSMIOPU-UHFFFAOYSA-N 376.340 3.303 5 40 GGBB COc1ccc(-c2noc(CN3CCc4cc([N+](=O)[O-])ccc43)n2)c(OC)c1 8779922 GRULXVJVLAUSKH-UHFFFAOYSA-N 382.376 3.225 5 40 GGBB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 8058828 KDVDAUBAZBWTSC-KRWDZBQOSA-N 392.433 3.138 5 40 GGBB Cc1ccc(SCCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 15664473 KGIHVHQEMPMLDX-UHFFFAOYSA-N 383.433 3.006 5 40 GGBB CC[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 217943904 KSRMMHNIWASLOD-INIZCTEOSA-N 376.434 3.188 5 40 GGBB CCc1sc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1C 32925026 OITHZTZFCAGIFQ-UHFFFAOYSA-N 393.490 3.187 5 40 GGBB COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280196 RNOZTLYDXPLCLN-QZTJIDSGSA-N 386.468 3.230 5 40 GGBB biogenic CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 408638296 QXHXQMWGJFZHNQ-QAPCUYQASA-N 396.399 3.152 5 40 GGBB COc1ccccc1Nc1nc(N(C)Cc2ccccc2)nc(N)c1[N+](=O)[O-] 5031217 CIQNILMRZFOALM-UHFFFAOYSA-N 380.408 3.356 5 40 GGBB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[C@@H]1[N+](=O)[O-] 65550091 AUOHDGYPOJVBSW-STQMWFEESA-N 378.182 3.240 5 40 GGBB Cc1ccc(Oc2ccc3c4c(cccc24)C(=O)N(CCO)C3=O)c([N+](=O)[O-])c1 5380032 UWLTXCKUXSKUIM-UHFFFAOYSA-N 392.367 3.437 5 40 GGBB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076217 KYYDGELXJCZGQE-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)NC(=O)CO2 40081427 OMZCLZBLDKTLMK-VIFPVBQESA-N 375.768 3.070 5 40 GGBB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 3065425 GIHIYLBJKWTAEZ-UHFFFAOYSA-N 380.223 3.484 5 40 GGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC[C@H]2O 9943069 MBYWAZLPPWIZGL-CYBMUJFWSA-N 390.417 3.455 5 40 GGBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 14831672 QWGWFECQUNEPOF-UHFFFAOYSA-N 386.433 3.460 5 40 GGBB Cc1noc(/C=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1[N+](=O)[O-] 408603313 FRTLNEGBRWGBEP-RMKNXTFCSA-N 383.360 3.350 5 40 GGBB COc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cn1 32667852 UQYBMKIKBFGUQP-UHFFFAOYSA-N 377.300 3.036 5 40 GGBB O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)NC2CC2)c1 31601755 HORLIHVKMNZILR-UHFFFAOYSA-N 384.392 3.286 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(CCCc3nc(-c4cccs4)no3)CC2)cc1 23707199 DABKRDVDJXROHO-UHFFFAOYSA-N 399.476 3.461 5 40 GGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOc2cccc(Cl)c2)C1=O 6083338 DNQNTNDZVJLSDH-GOSISDBHSA-N 389.795 3.094 5 40 GGBB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccccc3[N+](=O)[O-])n2)cc1OCC 95534520 NGGOKVWOZANZBI-KRWDZBQOSA-N 383.408 3.225 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(N)c1 6421781 CUZUDQXOKKSIAH-SECBINFHSA-N 393.783 3.023 5 40 GGBB O=C1[C@H]2C(c3cccc([N+](=O)[O-])c3)=NO[C@H]2C(=O)N1c1ccc2ccccc2c1 103537916 PYDDQXICUXKDFK-PKOBYXMFSA-N 387.351 3.041 5 40 GGBB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1cc([N+](=O)[O-])ccc1Cl 24981499 QZMNMKIFJFCWIM-UHFFFAOYSA-N 398.762 3.343 5 40 GGBB CCc1ccc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1[N+](=O)[O-] 96007022 VUDCOAOEFRYYNY-HXUWFJFHSA-N 397.475 3.044 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 44849450 IIHXCDRAEZUKHQ-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220399386 BCGLYQDGTCVRLD-CQSZACIVSA-N 391.449 3.005 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] 47339307 JMOQXTHXGNEJOT-UHFFFAOYSA-N 391.449 3.232 5 40 GGBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 239433934 YTUQDFOFCITVEC-IQGAEYHTSA-N 390.395 3.485 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C)cc1 4081290 TXDISPFTWMGWCX-AWEZNQCLSA-N 384.392 3.162 5 40 GGBB O=C(Nc1ccccn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Nc1ccccn1 8974306 VOSMTMQIIFYFQJ-UHFFFAOYSA-N 380.320 3.289 5 40 GGBB Cc1cc(C)c(NC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(Cl)c1 14110068 BNAXIFLQQCTXAY-UHFFFAOYSA-N 375.768 3.412 5 40 GGBB CCCOc1ccccc1OCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 5769309 SXKOUBGPRLVPML-UHFFFAOYSA-N 387.388 3.497 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2ccccc2Cl)CC1=O 408653145 DYOTZFQDHPYHKD-NSHDSACASA-N 390.779 3.215 5 40 GGBB CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c(C)c1 219825705 ZJGYDSSHJLLXLA-UHFFFAOYSA-N 388.376 3.106 5 40 GGBB COC(=O)c1cc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)ccc1Cl 6950310 RPWQTSYFXKQGBS-UHFFFAOYSA-N 381.797 3.161 5 40 GGBB CN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 4700417 KJFRILMPGKOCGI-SFHVURJKSA-N 386.448 3.404 5 40 GGBB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019363 YFWCKVOOMYSOKQ-UHFFFAOYSA-N 392.433 3.087 5 40 GGBB COC(=O)c1cc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc([N+](=O)[O-])c1 40087142 DPISIOZEIJLIIZ-UHFFFAOYSA-N 398.400 3.482 5 40 GGBB O=C(c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O)N1CCCCCC1 8471694 QYBVRXXIXHXJKR-UHFFFAOYSA-N 393.399 3.412 5 40 GGBB Cc1nc2cc(F)ccc2cc1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 10927945 KXZPXBLPYPCOIQ-UHFFFAOYSA-N 383.335 3.046 5 40 GGBB C[C@@H](Sc1nc(=O)c2ccsc2[nH]1)C(=O)Nc1cccc([N+](=O)[O-])c1 9762795 GQTGDRQOHNKSMW-MRVPVSSYSA-N 376.419 3.012 5 40 GGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4473033 XRWTZOOYPMQASF-UHFFFAOYSA-N 399.146 3.387 5 40 GGBB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 8830449 FNTBKZLWRJTRHW-VIFPVBQESA-N 396.450 3.051 5 40 GGBB O=[N+]([O-])c1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c([N+](=O)[O-])c1 10646023 RDKWWPORUINVLI-CYBMUJFWSA-N 386.412 3.205 5 40 GGBB COCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc21 12537687 UKLFJYXFHIRDMX-UHFFFAOYSA-N 386.433 3.322 5 40 GGBB CCOC(=O)c1cc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 10856996 IKVZBNNTIJKTKJ-NSHDSACASA-N 389.335 3.339 5 40 GGBB O=C([C@H](Oc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)N1CCOCC1 5506507 AJENRFJFQCIBQZ-QGZVFWFLSA-N 376.796 3.227 5 40 GGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872127 YPFORZDQUFGKPC-NSHDSACASA-N 397.840 3.041 5 40 GGBB Cc1ccc2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc2c1C 4585344 CJMPWCMYGBJXNR-UHFFFAOYSA-N 386.433 3.377 5 40 GGBB C[C@@]12C(=O)N(c3ccc(F)cc3[N+](=O)[O-])C(=O)N1CCc1c2[nH]c2ccccc12 9286812 DWWSTTNOGWAAFW-HXUWFJFHSA-N 394.362 3.455 5 40 GGBB biogenic Cc1csc(NC(=O)[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)C)n1 29775435 NQLUUFJFFRSSKD-ZDUSSCGKSA-N 396.856 3.406 5 40 GGBB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])c1 12910642 DWBKTRIMXJARNG-MRXNPFEDSA-N 386.404 3.355 5 40 GGBB O=C(CN1CCC(N2CCCCC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 57993285 OHBFBOMBHDHTCV-UHFFFAOYSA-N 380.876 3.137 5 40 GGBB CS[C@@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H]1N(C)C 107539590 QIRNWTDYQGLUQH-RBUKOAKNSA-N 385.489 3.308 5 40 GGBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(N2CCCC2)c1[N+](=O)[O-] 5050081 DYAXIUYSZUQIPW-UHFFFAOYSA-N 382.468 3.026 5 40 GGBB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)o1 409181931 GUYJUNGSYDHVHX-UHFFFAOYSA-N 394.339 3.463 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2ccccc2)no1 218052894 LXCSILFERGQRON-UHFFFAOYSA-N 384.417 3.194 5 40 GGBB O=C(Nc1ccc2c(c1)C(=O)NCC2)c1ccc2[nH]c3ccccc3c(=O)c2c1 682030676 LQOWISRAZQOSAZ-UHFFFAOYSA-N 383.407 3.220 5 40 GGBB Cc1n[nH]c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-] 4872909 ZWBYVCGZUZDJIQ-UHFFFAOYSA-N 376.316 3.256 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])NCC1(N2CCCCC2)CCCCC1 3444765 ONTWQKPRJCWQLR-UHFFFAOYSA-N 375.469 3.279 5 40 GGBB COc1ccc(C)cc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 5701622 MYXOIJPDOXKNDS-UHFFFAOYSA-N 399.432 3.444 5 40 GGBB COC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1Cl 66019905 ZJMANJLGLWEHNK-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1cccc(Br)c1 5453436 IPPBEGPZEQYSKN-UHFFFAOYSA-N 390.193 3.146 5 40 GGBB COc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c(OC)c1 8940450 HWKSDGWCCLSNCM-KRWDZBQOSA-N 385.420 3.048 5 40 GGBB COc1cc([C@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1O 4629532 QHEDPQYRFGUOCC-CYBMUJFWSA-N 381.344 3.140 5 40 GGBB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17116051 IXALXCUUEHGJGJ-KRWDZBQOSA-N 382.464 3.448 5 40 GGBB O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccccc1 5003478 QPNRUZBBVVGPGF-CYVLTUHYSA-N 379.416 3.378 5 40 GGBB O=C(c1cc2ccccc2cc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5940380 IYPVVAUQBHODFZ-UHFFFAOYSA-N 377.400 3.416 5 40 GGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@@H]1CCCO1 12528073 BXFBYZULUQPCIJ-KDOFPFPSSA-N 397.497 3.139 5 40 GGBB COc1cc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1OC 13673661 ZWTQITOHROSBOL-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB COc1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)cc([N+](=O)[O-])c1O 96003626 XVSDSDDONJXPEG-OLZOCXBDSA-N 395.456 3.139 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](C(=O)N1CCCCC1)c1ccccc1 56345613 FTUIHPXAHVMEOK-SFHVURJKSA-N 382.420 3.470 5 40 GGBB COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1Cl 20611721 BTWVFPBCQKFAKO-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccco2)cc1 5478012 DUNRVHKHGOZUSE-UHFFFAOYSA-N 395.323 3.447 5 40 GGBB COc1cccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)c1 17078652 HDMCDBZZWGZDTN-UHFFFAOYSA-N 385.380 3.014 5 40 GGBB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O 35326667 GATBETPIDIOQJJ-QGZVFWFLSA-N 398.806 3.245 5 40 GGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCCCCCCN1CCCC1 48265040 IQHUOIURQXJZEQ-UHFFFAOYSA-N 376.501 3.437 5 40 GGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@H]1CCCO1 12528076 BXFBYZULUQPCIJ-KBXCAEBGSA-N 397.497 3.139 5 40 GGBB C[C@@H]1CN(Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 58162289 OWOCCVZVOGENIB-OAHLLOKOSA-N 384.436 3.137 5 40 GGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccc3)CC2)c2ccccc21 5516048 JHZGTNPXCPXYOZ-UHFFFAOYSA-N 378.432 3.256 5 40 GGBB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 9190190 LVSBKELUBAFURC-UHFFFAOYSA-N 386.389 3.209 5 40 GGBB Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 225030517 VQWLDEZTSNHVBP-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB O=C(NC1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 12775335 YJENBGNCKDMYOE-DHZHZOJOSA-N 379.416 3.029 5 40 GGBB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 83843739 KZOFOROXVXIHOS-UHFFFAOYSA-N 382.825 3.272 5 40 GGBB COc1ccc(CCCN(C)c2nc3sccn3c2[N+](=O)[O-])cc1OC 32806447 ZLGFMKDKZDQTMG-UHFFFAOYSA-N 376.438 3.390 5 40 GGBB CC[C@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 32781350 YZQSZRVVHWYZDD-INIZCTEOSA-N 387.461 3.312 5 40 GGBB C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCCCn1ccnc1 5207640 BHCKEEHMCITXJN-OAHLLOKOSA-N 391.427 3.117 5 40 GGBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc(Cl)cc1Cl 6560434 RKMGLDHITCYJBY-UHFFFAOYSA-N 393.186 3.250 5 40 GGBB O=C(Cn1ccc2c([N+](=O)[O-])cccc21)NC1CCN(Cc2ccccc2)CC1 96118790 HKUFCBLLHHEBFA-UHFFFAOYSA-N 392.459 3.330 5 40 GGBB Cc1ccc2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(=O)[nH]c2c1 4225183 FCOIOSGQHMCOJI-UHFFFAOYSA-N 385.807 3.371 5 40 GGBB Cc1ccc(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1[N+](=O)[O-] 10544162 TVJDZPPWOUGYQQ-OAHLLOKOSA-N 376.434 3.484 5 40 GGBB CCn1c(Cc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])c2nonc12 408605235 LCPJELRUMQOJQJ-UHFFFAOYSA-N 382.405 3.484 5 40 GGBB CC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Cl)cc2)C1 408564278 XWILDRPHKZLNTO-GOSISDBHSA-N 389.795 3.081 5 40 GGBB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 89919288 VVFLURVYGIEGDJ-MEDUHNTESA-N 399.241 3.209 5 40 GGBB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc([N+](=O)[O-])ccc1C)cn2C 22237369 BCDISYHKFYDYAW-UHFFFAOYSA-N 381.388 3.406 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1OC 408618501 DALRAVQCHBPGIT-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 223525680 XYEJIBVTYFBLSG-UHFFFAOYSA-N 389.433 3.003 5 40 GGBB CCCn1c(-c2ccc(OC)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5345910 AUBBFODMTMLDFY-UHFFFAOYSA-N 375.428 3.334 5 40 GGBB CC(C)Cn1c(CCC(N)=O)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 8255975 PZXILGUBHAWNNA-GFCCVEGCSA-N 377.470 3.114 5 40 GGBB Cc1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 225006033 JPTWRIXRSIMJBQ-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C(=O)N1CCCC1 58108643 UQRHVROBSBQFSL-RHSMWYFYSA-N 391.493 3.079 5 40 GGBB C[C@H]1CCCN(c2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])C1 5177834 GMLUCWYOCAXFGZ-NSHDSACASA-N 376.848 3.469 5 40 GGBB CCn1cc(-c2ccnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c(C)n1 2731476 RGBQIPSSGRVQIT-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC(C)(C)Oc2ccccc21 10544179 OZWLAMLALGUYEA-HNNXBMFYSA-N 376.434 3.484 5 40 GGBB CC(C)[C@H](NC(=O)C[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 58157997 AXSYZSLGIMUVPI-QYBDOPJKSA-N 378.425 3.355 5 40 GGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 4846357 MWQBQNWCTUSVDN-UHFFFAOYSA-N 398.293 3.418 5 40 GGBB COc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 4893019 LPQUXHXQJYHFEP-UHFFFAOYSA-N 386.404 3.439 5 40 GGBB NC(=O)c1cccc([N+](=O)[O-])c1OCC(=O)Nc1ccc(Cl)cc1Cl 96006581 QFNLSTCJLAKPOK-UHFFFAOYSA-N 384.175 3.018 5 40 GGBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 408628924 YFCMFFXYZJNLBK-XCVCLJGOSA-N 376.825 3.279 5 40 GGBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087673 XTKOGQRXESDNOO-UHFFFAOYSA-N 379.394 3.335 5 40 GGBB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 12651668 VWOATUHOIAJERM-MRRJBJDNSA-N 378.425 3.338 5 40 GGBB COc1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1OC 5242472 SQPZILIMEATBHU-UHFFFAOYSA-N 397.416 3.229 5 40 GGBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1Cc1ccccn1)CCC2 5264404 KAMMEGYQUKXIOO-UHFFFAOYSA-N 394.456 3.376 5 40 GGBB Cc1cccc(NC2=N[C@H](c3ccccc3[N+](=O)[O-])n3c(nc(C)cc3=O)N2)c1 7495812 ZQGSDFJMUYEDNP-SFHVURJKSA-N 390.403 3.209 5 40 GGBB Cn1nc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4164350 XUJXDHQDZRSXAS-AWEZNQCLSA-N 380.404 3.100 5 40 GGBB COC[C@@H](C)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4292623 ZQFAVLVZGLPZEB-CYBMUJFWSA-N 380.473 3.279 5 40 GGBB Cc1cccc(N2C(=O)C[C@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)c1C 5245273 ONLBDHAMNFHBOB-HXUWFJFHSA-N 379.372 3.038 5 40 GGBB O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1cccc([N+](=O)[O-])c1 5752573 KCOAAVWFTJQVBN-UHFFFAOYSA-N 384.417 3.496 5 40 GGBB CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95463371 NYAKCODIAKEQKK-MGPLVRAMSA-N 377.328 3.148 5 40 GGBB CCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 30877654 JXHUWFUKXBDRAR-UHFFFAOYSA-N 398.419 3.032 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)CCC2CCCC2)CC1 30393836 DIMQOGFVTAUOGD-PKNBQFBNSA-N 385.464 3.249 5 40 GGBB Cc1cc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)ccc1[N+](=O)[O-] 51592178 GBELAKGTEHSXFN-AWEZNQCLSA-N 382.420 3.103 5 40 GGBB CCN(CC)[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 58323921 KOSNCWRTWNLRGN-SFHVURJKSA-N 399.447 3.179 5 40 GGBB CNc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] 5363649 QNAGCIQGINTWDJ-KYEXWDHISA-N 377.441 3.123 5 40 GGBB O=C1N[C@@]2(CS1)Oc1ccc([N+](=O)[O-])cc1[C@@H]1CC(c3ccccc3)=NN12 4540132 KYHORIBEIFAIAF-MAUKXSAKSA-N 382.401 3.249 5 40 GGBB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14242533 VKNLFMGNJZFROO-QMMMGPOBSA-N 398.828 3.239 5 40 GGBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(N)c1 4678284 GSKHQYSEUQPAMK-UHFFFAOYSA-N 398.448 3.186 5 40 GGBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 4934906 BDQXQAFKFPHAME-GOSISDBHSA-N 391.387 3.219 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1c[nH]c(C(=O)N2CCCC2)c1 24421361 XZHWEFKBJQAUHZ-UHFFFAOYSA-N 377.784 3.074 5 40 GGBB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980432 MQPZUULEJVHATM-CZDRUDQFSA-N 390.436 3.453 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 48260283 FMTOGIHHVSZISL-QMMMGPOBSA-N 377.275 3.068 5 40 GGBB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 13717410 APVAASWNTBRNHS-UHFFFAOYSA-N 387.779 3.263 5 40 GGBB CCNc1nnc(SCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])s1 18662838 AOVGGQGCACBXPV-UHFFFAOYSA-N 383.455 3.008 5 40 GGBB O=C(Nc1ccc(Cl)cc1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 5054725 FNYOABCNZKREDL-UHFFFAOYSA-N 399.790 3.291 5 40 GGBB Cn1nc(-c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1=O 10325221 BSFZUYGJKMDZRY-UHFFFAOYSA-N 384.779 3.261 5 40 GGBB CC(C)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 31146626 SVBHGJPNRIZFPN-IBGZPJMESA-N 397.479 3.261 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1cn2ccccc2n1 24494585 PFBNJQQSDKYYCT-UHFFFAOYSA-N 382.423 3.119 5 40 GGBB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 6948548 XIOKQVQVZWBGLB-OAHLLOKOSA-N 380.356 3.425 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1 84421699 XAMRVMRMHFJJJP-UHFFFAOYSA-N 383.383 3.106 5 40 GGBB Cc1n[nH]c(-c2cccc(NS(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)c2)n1 40152678 NPGFEUHPVOHINB-UHFFFAOYSA-N 387.421 3.106 5 40 GGBB CC(=O)OC1=NN=C(OC(C)=O)C12CC=C(C)C[C@@H]2c1ccc([N+](=O)[O-])cc1 1092323 RWTNIHFQMUTISD-MRXNPFEDSA-N 385.376 3.257 5 40 GGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)[nH]2)cc1 7610240 OQLXVBVOWIXDML-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 57561477 IUIJJETVVHDAPN-UHFFFAOYSA-N 386.364 3.364 5 40 GGBB CC(C)NC(=O)Nc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 72010812 RPFLRQVXWSZTGN-UHFFFAOYSA-N 382.380 3.253 5 40 GGBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)c(Cl)c2)CC1 225244220 MKJHEJRLEKLNSS-UHFFFAOYSA-N 395.250 3.465 5 40 GGBB COC(=O)c1nn(-c2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 2498205 XJJICWJRKXWHNY-UHFFFAOYSA-N 393.281 3.043 5 40 GGBB CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 24431890 GCQJLJJKZPHVKM-UHFFFAOYSA-N 377.422 3.380 5 40 GGBB COc1cc(NC(=O)COC(=O)Cc2ccc(C)c(C)c2)c(C)cc1[N+](=O)[O-] 5185492 RHSNYNMDUPHAQX-UHFFFAOYSA-N 386.404 3.253 5 40 GGBB Cc1c(C(=O)N2CCCN(C)c3nc4ccccc4nc32)cccc1[N+](=O)[O-] 17364307 MXNJEJIAEIWTJQ-UHFFFAOYSA-N 377.404 3.333 5 40 GGBB COC(=O)C[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 16139287 AKEAGQPYSSJJEC-QGZVFWFLSA-N 383.404 3.203 5 40 GGBB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409125998 AMMKXCGHAVEJBL-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB Cc1cc(-c2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)ccc1[N+](=O)[O-] 35127612 VTIZHBVHJPOYCV-HWKANZROSA-N 384.304 3.031 5 40 GGBB Cc1ccc(S(=O)(=O)NCCSCc2ccccc2F)cc1[N+](=O)[O-] 13667762 HKVYUJFOQIPUOQ-UHFFFAOYSA-N 384.454 3.254 5 40 GGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713538 WODFEQRGYPVIHW-KRWDZBQOSA-N 391.449 3.087 5 40 GGBB CC(=O)[C@@H](C)OC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32946520 CUBVZMPIMBVJFE-LLVKDONJSA-N 388.342 3.351 5 40 GGBB CCCNC(=O)CN(C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8748128 JZWOCDHJESGIJV-UHFFFAOYSA-N 379.800 3.106 5 40 GGBB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC2=O)cc1 8816490 QZINJHJWNGDGMU-LLVKDONJSA-N 389.795 3.248 5 40 GGBB CC(C)NC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624475 UKUJVIWFZPXJFO-UHFFFAOYSA-N 385.423 3.495 5 40 GGBB biogenic C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N=c1[nH]c2ccccc2[nH]1 7277109 ANUNUBGXVKTVOV-SECBINFHSA-N 393.325 3.351 5 40 GGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 85620000 BLVROYLQIOPKNX-ZIAGYGMSSA-N 378.473 3.221 5 40 GGBB O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 13053714 LFXPTFHONVVULU-UHFFFAOYSA-N 395.165 3.073 5 40 GGBB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cccc1[N+](=O)[O-] 15638370 DDXGMHWNDMFEOJ-CQSZACIVSA-N 383.404 3.064 5 40 GGBB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]21 2175462 ZXEWWXJSZFWEBU-GYIHYUDTSA-N 396.786 3.208 5 40 GGBB CC[C@@H]1CCc2c(sc3ncn4nc(CCn5cc([N+](=O)[O-])cn5)nc4c23)C1 2803764 UZXPPNHCQQWDLA-LLVKDONJSA-N 397.464 3.201 5 40 GGBB C[C@]12C[C@@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc([N+](=O)[O-])ccc1O2 101085008 WLZLCDXJAFUBBI-KUHUBIRLSA-N 383.360 3.136 5 40 GGBB CO[C@@H]1C[C@H]2[C@H](C[C@@]1(C)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C2(C)C 100392680 LKISZDGHIQPGMP-OIPACUDHSA-N 378.381 3.500 5 40 GGBB biogenic,in-vitro COC(=O)c1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] 29412063 WWNQIKKFTIMIAJ-CQSZACIVSA-N 399.451 3.083 5 40 GGBB CCO[C@H](O)[C@H]1N[C@@H](c2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 13554844 RTTHNEXNTOBPTG-BCYZHJNNSA-N 376.840 3.137 5 40 GGBB CCc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 7979770 SAMZVMWJWJPUIH-IBGZPJMESA-N 391.493 3.276 5 40 GGBB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)o1 409177612 AZUBWTVCELGKHJ-UHFFFAOYSA-N 394.339 3.463 5 40 GGBB O=C(Nc1nccs1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 4892720 LLPKPCCSJGNHKV-UHFFFAOYSA-N 394.368 3.104 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@]1(C)CC1(Cl)Cl 3465580 XXJZPUWPNBNUFA-RTHLEPHNSA-N 391.207 3.058 5 40 GGBB CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2ON1c1ccccc1 18038440 SRVKUUHUJMQTIZ-KURKYZTESA-N 381.388 3.073 5 40 GGBB Cc1cccc2s/c(=N\S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c12 6510474 VLLRGLXZFCDCPK-UHFFFAOYSA-N 383.838 3.389 5 40 GGBB Cc1ccc(/C=C/c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 16735434 OEKTTWCZHOQSGG-LWINHUFBSA-N 390.424 3.086 5 40 GGBB CCCNC(=O)CSc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 9723564 KZOMEDCZZQQSKP-UHFFFAOYSA-N 384.508 3.357 5 40 GGBB COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1-c1ccc(CO)o1 20144890 FFOWLLNNMLIEBA-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB O=C(CN1CCN(c2nc3ccccc3s2)CC1)c1ccc([N+](=O)[O-])cc1 36056519 IRBBJKBEQFORBR-UHFFFAOYSA-N 382.445 3.209 5 40 GGBB CCC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC 408697935 MXSLVHAUIJCHTD-UHFFFAOYSA-N 393.421 3.061 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CC(c2ccccc2)=NO1 42918023 RSGFCMCBYPQDLC-OAHLLOKOSA-N 377.303 3.328 5 40 GGBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCCN1CCCC1=O)CO2 57143196 PBQNNGSMVIRQHQ-UHFFFAOYSA-N 392.455 3.419 5 40 GGBB Cc1cccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C)c1 5688798 GQJXCCLTVHXPFI-HNNXBMFYSA-N 389.477 3.022 5 40 GGBB Cc1c(Cl)cccc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO 7976876 SRZPDXJSUIPJNN-UHFFFAOYSA-N 378.816 3.011 5 40 GGBB COc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C)cc3)o2)cc1[N+](=O)[O-] 408714678 UZDDLWBTPONUHS-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087050 BGKNURZRXARAQJ-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3396388 CVEFSYDTXGSODX-UHFFFAOYSA-N 392.323 3.265 5 40 GGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 6007885 VTMBWPXHSIHMHC-RIYZIHGNSA-N 388.357 3.064 5 40 GGBB COc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 12512638 RUBWRAUEXPFLOL-UHFFFAOYSA-N 385.420 3.467 5 40 GGBB COc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1[N+](=O)[O-] 12997385 ITQSJEBZOXZGHC-UHFFFAOYSA-N 380.397 3.096 5 40 GGBB Cc1cccc(OCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C 24972255 PNNMTSJAEKSTDL-UHFFFAOYSA-N 383.448 3.329 5 40 GGBB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 408705938 QRDKLWGUKNKMHB-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB CC(C)CC(=O)N1CCC(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 48356127 VIVBLCWBCLRNQL-CQSZACIVSA-N 393.509 3.229 5 40 GGBB COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1OC 855948 IHFDYYYSVIWJRL-VQHVLOKHSA-N 387.417 3.138 5 40 GGBB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 10544572 LJDKAWHUTGXOLQ-AWEZNQCLSA-N 380.404 3.500 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 13001932 QJKVWTVRWDSOHL-UHFFFAOYSA-N 383.751 3.056 5 40 GGBB CCCCCN(CCCCC)C[C@@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 6398436 OGNVBRFBPQLETQ-OAHLLOKOSA-N 381.521 3.437 5 40 GGBB CCOC(=O)N1CCN(c2cc(N3CCCC[C@H]3C)c(F)cc2[N+](=O)[O-])CC1 4708590 RALWBYSJSZFQOD-CQSZACIVSA-N 394.447 3.391 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7928422 OLIJRCGUBPTDLA-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB CCc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)sc1C 36392465 JYZCBSATWPDLNF-UHFFFAOYSA-N 393.490 3.187 5 40 GGBB CC(C)(C)N(Cc1ccccc1)C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3433147 DOACJBNYBASRCC-UHFFFAOYSA-N 394.431 3.132 5 40 GGBB COc1cc(OCC(=O)NCc2cccc(C(F)(F)F)c2)ccc1[N+](=O)[O-] 68754768 IXWLOQISEGGOTA-UHFFFAOYSA-N 384.310 3.317 5 40 GGBB C[C@H](OC(=O)c1cccc(N2CC=CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 101440602 XCTHTAASDBGCEY-AWEZNQCLSA-N 381.388 3.155 5 40 GGBB Cc1nnc(NC(=O)CCCC(=O)OCc2ccc(Cl)cc2[N+](=O)[O-])s1 8474106 YIPQOMCFSGOCNU-UHFFFAOYSA-N 398.828 3.260 5 40 GGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 4477697 XFIQVDHKHJHVDV-KRWDZBQOSA-N 377.759 3.355 5 40 GGBB COc1cccc(Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 6762253 IHFONTQXNMOZJD-UHFFFAOYSA-N 378.406 3.180 5 40 GGBB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20142596 SCARYASQQFVFPA-UHFFFAOYSA-N 385.376 3.241 5 40 GGBB Cc1nnc2sc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn12 20609588 UOWFQRQTSJPING-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB O=C(NCc1nc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 29676692 AXORAAYAHNVQPX-UHFFFAOYSA-N 397.460 3.236 5 40 GGBB O=C(OCCCCOC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1702777 PIJYYIAXZRWJBG-UHFFFAOYSA-N 388.332 3.297 5 40 GGBB Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 8902568 XHRVNVLVRITGGC-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6046363 RXFNTIKYRGGMRM-SFHVURJKSA-N 380.404 3.424 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1c(F)cccc1Cl 7107823 SHXLTTWRCWZJEK-UHFFFAOYSA-N 380.759 3.420 5 40 GGBB CCOc1ccc(OCC)c(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)c1 24755602 CZHMZRBFAYPTBA-UHFFFAOYSA-N 384.392 3.381 5 40 GGBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)OC)cc2C)cc1OC 29702936 RONQHCHNJOMDDT-UHFFFAOYSA-N 388.376 3.349 5 40 GGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2303037 ZVNZTHNFYZLZQP-UHFFFAOYSA-N 399.454 3.298 5 40 GGBB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc([N+](=O)[O-])ccc1F 3457518 AXORJABCPYOHSN-UHFFFAOYSA-N 385.351 3.330 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 5832749 UNBVRMVTBPLRDD-AWEZNQCLSA-N 397.431 3.490 5 40 GGBB CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 217890290 ORHIDCMAKSVRDM-VWGXWWAPSA-N 388.445 3.279 5 40 GGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 6546811 BXMZXYYXCHGKFM-SOFGYWHQSA-N 385.401 3.128 5 40 GGBB Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(C)c1[N+](=O)[O-] 22986426 QHVJRMZPAZODLU-CQSZACIVSA-N 399.432 3.441 5 40 GGBB COc1ccc([C@@H](C[N+](=O)[O-])[C@@H]2CCCC=C2N2CCOCC2)cc1OC 945465 JDIUZCZPZSDLBY-DLBZAZTESA-N 376.453 3.080 5 40 GGBB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 223692118 QROMWTLOKNUDDM-UHFFFAOYSA-N 378.450 3.250 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 971350 JFGALBCPRSIFCG-KRWDZBQOSA-N 381.388 3.265 5 40 GGBB CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@H](C)O 107535989 COUVHWMTKHUUIE-GXTWGEPZSA-N 378.860 3.078 5 40 GGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc2ccccc12 100845934 DQEHAXPIEWNUFB-MJGOQNOKSA-N 387.351 3.041 5 40 GGBB C[C@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101648275 HJRAEQKPMOWDLT-JJXSEGSLSA-N 384.436 3.382 5 40 GGBB O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3cc(Br)ccc3O)n2)nc1 408608940 XTTVLZOHCBPEQC-UHFFFAOYSA-N 394.210 3.394 5 40 GGBB C[C@H]1Oc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2NC1=O 7314258 CKBGFLWJPJWKNC-SNVBAGLBSA-N 382.376 3.141 5 40 GGBB COc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O 409065726 JFRANORTSBJJQF-AWNIVKPZSA-N 389.751 3.060 5 40 GGBB CCOc1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC 223697298 RTGWXVIWDZTMLY-UHFFFAOYSA-N 394.449 3.179 5 40 GGBB CCOC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc(C)c1C 1102656 YGWFIKDXZMYMNS-UHFFFAOYSA-N 378.406 3.467 5 40 GGBB CCC[C@H]1[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2ON1c1ccccc1 102730767 SRVKUUHUJMQTIZ-RCCFBDPRSA-N 381.388 3.073 5 40 GGBB O=C(NN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 408762523 OQLQPMJIBFWUID-ZROIWOOFSA-N 387.348 3.115 5 40 GGBB CCCCCC(=O)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 408575467 VBYJKLLZOQQLOQ-UHFFFAOYSA-N 377.441 3.000 5 40 GGBB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 409321935 JWWVZDGFVJIHED-PFONDFGASA-N 381.369 3.154 5 40 GGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1 7785392 QZWRQUOYQCBNBA-CQSZACIVSA-N 390.465 3.023 5 40 GGBB COc1cc(CCNC(=O)N[C@@H]2CCCc3occc32)c([N+](=O)[O-])cc1OC 32803516 RFGDKKDXBMRJAT-CQSZACIVSA-N 389.408 3.124 5 40 GGBB COc1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 5270706 GKJWCLNWWSNHIL-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 6348464 DEEHYFFJKSZJAA-MRXNPFEDSA-N 386.408 3.165 5 40 GGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3)n2)c1 9281627 TZNTWTQEQBUZJG-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 108899915 UFYIEKJQBYEGCH-IBZMOEQTSA-N 387.480 3.376 5 40 GGBB CCC[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101041446 ZKKIRCDRNCNLIV-BZSNNMDCSA-N 381.388 3.073 5 40 GGBB O=C1N[C@]2(CS1)Oc1ccc([N+](=O)[O-])cc1[C@H]1CC(c3ccccc3)=NN12 12273885 KYHORIBEIFAIAF-QAPCUYQASA-N 382.401 3.249 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1 8416326 JWKUCQWYVFFCGR-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB CN(CCN(C)C1CCCCC1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 47675773 VMYWFMXVNVCACN-UHFFFAOYSA-N 385.468 3.117 5 40 GGBB COc1cccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c1 1280002 PLDCSSJHZFQWSC-KRWDZBQOSA-N 384.452 3.379 5 40 GGBB biogenic COc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 57674833 ARBMUTHJQIRYFU-MRXNPFEDSA-N 398.463 3.061 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl 3603017 TXMZKNGBQQDENT-UHFFFAOYSA-N 396.230 3.338 5 40 GGBB CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 4105443 LSGGPPDGVSZCHX-NSHDSACASA-N 378.208 3.096 5 40 GGBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)c1ccc(OC(F)F)cc1 4580358 XGRZJLQRQMBBPI-UHFFFAOYSA-N 380.303 3.300 5 40 GGBB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409191776 NAXCDYKXLWHBSL-MHWRWJLKSA-N 397.387 3.095 5 40 GGBB COc1ccc([C@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 95983643 NSHPHDPPDLSCNY-BFUOFWGJSA-N 387.436 3.175 5 40 GGBB CC[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 217896583 CBUXEMPCCFYZIJ-QPEODSHDSA-N 388.445 3.279 5 40 GGBB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 217898046 XKPOSZLZCINTNI-LFYBBSHMSA-N 394.387 3.325 5 40 GGBB CC1(C)CC(=O)c2cn3nc(SCc4cccc([N+](=O)[O-])c4)nc3nc2C1 13634212 ZZPSALDEFIIMOW-UHFFFAOYSA-N 383.433 3.480 5 40 GGBB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 40080880 TUUDAIMUTFMPLI-RYUDHWBXSA-N 375.450 3.269 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)NCC(F)(F)F)cc1 48344186 BBENYGABVRLABG-UHFFFAOYSA-N 381.310 3.068 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1NCCCc1cc2nc(C)cc(C)n2n1 48354882 QOBTZJJFBRKAGP-UHFFFAOYSA-N 383.408 3.086 5 40 GGBB C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 5505862 SICYPEMSCLGOSG-NSHDSACASA-N 376.390 3.190 5 40 GGBB Cc1nnc(SC[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 15235678 OKQSERKAMIPKBM-INIZCTEOSA-N 386.433 3.016 5 40 GGBB Cc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 409148912 UJJWXFCCEJVRES-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB CCOC(=O)COc1ccc(/C=C/c2onc(C)c2[N+](=O)[O-])cc1OCC 408541895 FJKBHVUDHNWEJC-VQHVLOKHSA-N 376.365 3.402 5 40 GGBB O=C(Cc1ccc(Br)cc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642303 XDYIGGWGSPRNRI-UHFFFAOYSA-N 388.221 3.366 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225040919 GRIAVRJFEMBQDV-UHFFFAOYSA-N 385.785 3.372 5 40 GGBB Cc1ccccc1C(=O)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48272431 RFUYSDZLSKHUSZ-UHFFFAOYSA-N 393.447 3.105 5 40 GGBB Cc1cc(/C=C/C(=O)O)cc(C)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 256049846 BSINTAKMMFZARL-FPYGCLRLSA-N 377.374 3.077 5 40 GGBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4497529 USZXJPRQFRJPMN-ITOFIOBYSA-N 385.807 3.183 5 40 GGBB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2734256 XJNCZFSNOVXYPN-UHFFFAOYSA-N 377.181 3.451 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2O)o1 4892549 SODHVQSBWKMBGQ-UHFFFAOYSA-N 386.389 3.390 5 40 GGBB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 11342188 VYXGWMXDVAXMDD-RYUDHWBXSA-N 390.367 3.165 5 40 GGBB O=C(NC(=S)/N=c1\[nH]c(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 17016081 RTLPKYFZBUFGEQ-UHFFFAOYSA-N 384.442 3.267 5 40 GGBB COCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccccc12 5795763 HALDHDPBRRTYNH-UHFFFAOYSA-N 388.383 3.093 5 40 GGBB NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 5347925 LDJHFSQRFZQJEY-UHFFFAOYSA-N 388.379 3.063 5 40 GGBB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 153352426 XPMSJFYZLHOBCE-UHFFFAOYSA-N 389.433 3.003 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2ccc(F)cc2)cc1 2711443 QRTYVORWACJHMY-UHFFFAOYSA-N 395.437 3.028 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1 7388827 WNDWFPFXLNAGDK-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB O=C(N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 24302876 HZCRVGBRKQXVPF-CYBMUJFWSA-N 392.626 3.404 5 40 GGBB COc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c([N+](=O)[O-])cc1OC 3325195 IMZWQXDVTCGUJV-UHFFFAOYSA-N 398.371 3.441 5 40 GGBB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccccc2)CC1 12981086 QBTBPJQRHWXLMC-OAHLLOKOSA-N 396.447 3.273 5 40 GGBB CN(C)[C@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 5200250 YMIUTQPPEVLMNB-GOSISDBHSA-N 386.452 3.211 5 40 GGBB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 6590656 BWWFZLTUAANWDP-UHFFFAOYSA-N 392.433 3.273 5 40 GGBB O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8402903 JRGNWMDSHBJDAO-UHFFFAOYSA-N 399.428 3.466 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(C)c1 216366860 BAQDIFOMRKRFLZ-UHFFFAOYSA-N 378.406 3.022 5 40 GGBB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 7363457 XQVZFBKPDWVIHE-UHFFFAOYSA-N 391.449 3.186 5 40 GGBB COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1-c1ccc(CO)o1 20144860 VYKDMHDNWLNGMZ-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB COc1ccc(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 7000314 ZHZXULMDJXQNIJ-UHFFFAOYSA-N 386.389 3.102 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 9117898 LOOZAELVXWOXQJ-UHFFFAOYSA-N 389.839 3.284 5 40 GGBB C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccc(Cl)cc1 8306164 OGNKLNNPPAPACA-JTQLQIEISA-N 375.768 3.034 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1cccc(OCC(F)(F)F)c1 48374114 YFLBHKZPUFXQKH-UHFFFAOYSA-N 380.278 3.332 5 40 GGBB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 5378133 ZHEBHXUMNWAOAF-PKOBYXMFSA-N 379.372 3.023 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937700 XSYLACGESIGHHL-UHFFFAOYSA-N 398.806 3.488 5 40 GGBB C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 32638848 WGZIJPXXPOWGPT-SNVBAGLBSA-N 388.767 3.080 5 40 GGBB COc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 23386465 GOXLGJBPWNJGTQ-NXEZZACHSA-N 376.331 3.463 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1cccs1 3223291 AAJWLWOUCGUPSV-IOCXFXADSA-N 376.390 3.249 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(CC2CCCC2)n[nH]1 8752494 ZENOXUBARTXMCK-UHFFFAOYSA-N 375.454 3.485 5 40 GGBB COc1cc(/C=C/S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 7911977 WDSSVHPPHSVIFG-CMDGGOBGSA-N 379.390 3.065 5 40 GGBB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 48230167 FOSKQRMLEMGCHG-UHFFFAOYSA-N 378.344 3.317 5 40 GGBB C[C@](CO)(NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 1631163739 PIJPSYNAWQXCMS-CQSZACIVSA-N 385.239 3.056 5 40 GGBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(C)n1C 5972164 NJLSCJUXVQFCQE-UHFFFAOYSA-N 385.420 3.190 5 40 GGBB O=C1N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2[C@@]12CC(O)=Nc1[nH]ncc12 20728290 KELMLWNNOXXWGP-HXUWFJFHSA-N 389.371 3.143 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCn2cccc2[C@H]1c1ccccc1 4853800 RUZJICRDFDROSN-HXUWFJFHSA-N 397.456 3.499 5 40 GGBB aggregator COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729494 WUGVUTVTOGFICV-UHFFFAOYSA-N 392.433 3.087 5 40 GGBB Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])c2ccccc2n1 6280884 DPSIRNPPCRSQDQ-UHFFFAOYSA-N 383.335 3.386 5 40 GGBB CNc1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 5363809 QEZWJOBNWUERAO-UHFFFAOYSA-N 397.309 3.451 5 40 GGBB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 7284657 YVPVNDDNETZOCL-UHFFFAOYSA-N 387.461 3.276 5 40 GGBB CN(C)c1ccc(C(=O)OCc2nnc(-c3ccc(F)cc3)o2)cc1[N+](=O)[O-] 8026940 DNHZEPXFJYHDGQ-UHFFFAOYSA-N 386.339 3.207 5 40 GGBB COc1ccc(C(=O)NCCc2ccc(F)c(Br)c2)cc1[N+](=O)[O-] 48375099 XEUZLIZGGKSNPG-UHFFFAOYSA-N 397.200 3.478 5 40 GGBB Cn1ccnc1Sc1ccnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 13207554 QISQVMGQGPQMBF-UHFFFAOYSA-N 390.406 3.329 5 40 GGBB Cc1cccc(Cn2nc(C)cc2NC(=O)CCCn2ccc([N+](=O)[O-])n2)c1 1432094 AYXUWSCRGHVFOF-UHFFFAOYSA-N 382.424 3.072 5 40 GGBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)C(=O)Nc1ccc(Br)cc1F 2794337 BWRWHGBCULIOJT-MRVPVSSYSA-N 385.193 3.276 5 40 GGBB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 7564763 RHHQVNOGKANVFJ-QMMMGPOBSA-N 378.341 3.496 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 8650257 INFGODMLIIRSRT-UHFFFAOYSA-N 381.388 3.499 5 40 GGBB O=C(Cc1ccccc1)NC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 48287862 XSTFRIULIWXQRW-UHFFFAOYSA-N 390.443 3.471 5 40 GGBB Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 6527570 IXJMFYPMSJJHDF-UHFFFAOYSA-N 398.467 3.250 5 40 GGBB Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c(C)c1 20611872 XBTOXHUTLHWQIL-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 408638295 QXHXQMWGJFZHNQ-MAUKXSAKSA-N 396.399 3.152 5 40 GGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccc(Cl)c([N+](=O)[O-])c1 22728082 UQBSHSFTKMUNNJ-LLVKDONJSA-N 388.811 3.424 5 40 GGBB Cc1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)ccc1[N+](=O)[O-] 5250626 RCJAUIAESCZTQK-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])OCC2 12419706 APZLMHXLAPMOOQ-LJQANCHMSA-N 375.377 3.291 5 40 GGBB COc1ccc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-] 32871770 SBEPWVQAUAJIPR-UHFFFAOYSA-N 393.403 3.399 5 40 GGBB Cc1nn(CC(=O)NCCCCOc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 9154149 XHMUQFBFUMKLGL-UHFFFAOYSA-N 380.832 3.037 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N3CCCC3=O)c2)c1C 7325441 OLNIAOUZVNMZIC-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 8480648 LOMCTIKRFTWMMY-UHFFFAOYSA-N 391.449 3.088 5 40 GGBB COc1ccc(C2=N/C(=C/C3=Cc4ccccc4OC3)C(=O)O2)cc1[N+](=O)[O-] 96935626 PWQMJMFYJJCHDW-OQLLNIDSSA-N 378.340 3.267 5 40 GGBB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409155994 SHNBRXRNMWFZHR-SMDDNHRTSA-N 376.438 3.432 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1 224665016 DBCCJUAIBLZNPD-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB CS(=O)(=O)c1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 9764102 RPXZUHJYVLUVHF-UHFFFAOYSA-N 391.430 3.341 5 40 GGBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2C12CC2 101359171 FFAHMWNZQNAWQE-MHWZDGSBSA-N 389.205 3.059 5 40 GGBB Cc1ccc(C(=O)NCCN2CCCC2)c([N+](=O)[O-])c1OCc1ccccc1 1873305 FAYYNZDQSSJASV-UHFFFAOYSA-N 383.448 3.308 5 40 GGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 6007887 ROHPJEYUQQANID-RIYZIHGNSA-N 388.357 3.064 5 40 GGBB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 7929502 ZNBBCMYFSGTULV-AWEZNQCLSA-N 384.388 3.124 5 40 GGBB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1 7061250 JLEBTNRGAQVVSN-AATRIKPKSA-N 384.344 3.070 5 40 GGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(C2CCCCC2)C1 35655422 UYTYDLWGXKLKRM-NSHDSACASA-N 388.449 3.324 5 40 GGBB CN(C)CCOc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 48355002 PJUZHIYFOPSFDZ-UHFFFAOYSA-N 377.828 3.119 5 40 GGBB CCOc1cc(NC(=O)N[C@H]2CCNC23CCCC3)c([N+](=O)[O-])cc1OCC 592423241 PBRYIHOLGHQQFX-KRWDZBQOSA-N 392.456 3.188 5 40 GGBB O=C(Nc1cccc(Cl)c1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 5054722 TXOLTKSYVMZGNA-UHFFFAOYSA-N 399.790 3.291 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(Br)c1 2625545 RRJQUSFXNHUXKB-UHFFFAOYSA-N 383.154 3.054 5 40 GGBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=N)NC2=O)cc1 2977314 LRUISANKWIUQTC-GZTJUZNOSA-N 399.428 3.500 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 6478599 QHYDXXLDYOCUGQ-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(Br)cc1 3148550 KKVRTLBIFKXNJM-UHFFFAOYSA-N 378.178 3.326 5 40 GGBB COc1ccc(-c2nc(CNC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1 15832680 BMVSOVJXIRTGID-UHFFFAOYSA-N 399.428 3.422 5 40 GGBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@H]1CCCO1 12528075 BXFBYZULUQPCIJ-RDTXWAMCSA-N 397.497 3.139 5 40 GGBB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 40080876 TUUDAIMUTFMPLI-NWDGAFQWSA-N 375.450 3.269 5 40 GGBB O=C(CN(CCO)CCO)Nc1cc2c3ccccc3ccc2c2ccccc12 1726382 MBCSSSXIZGZNOP-UHFFFAOYSA-N 388.467 3.371 5 40 GGBB Cc1nn(C)c(N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 47331105 FLHCCJLTBMMFPG-ZDUSSCGKSA-N 386.481 3.130 5 40 GGBB COc1cc(C(=O)NC[C@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])cc1OC 23737433 UQFCRHSGJLEOPW-GOSISDBHSA-N 399.447 3.179 5 40 GGBB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21 4664323 ZXEWWXJSZFWEBU-DUOKCRBOSA-N 396.786 3.208 5 40 GGBB CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(OC)c(OC)cc21 101035621 HYLKFCWUQYZSSN-MSUUIHNZSA-N 393.446 3.451 5 40 GGBB Cc1ccccc1CN(C)C(=O)COC(=O)CSc1ccc([N+](=O)[O-])cc1 4219524 UNPKCOQEUYFJBA-UHFFFAOYSA-N 388.445 3.197 5 40 GGBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 6238764 OOXDMCVKONDDJR-UHFFFAOYSA-N 396.447 3.152 5 40 GGBB O=C(OCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1NCCO 6465304 POLRIRIPJKETIG-UHFFFAOYSA-N 389.389 3.073 5 40 GGBB CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O 35326664 GATBETPIDIOQJJ-KRWDZBQOSA-N 398.806 3.245 5 40 GGBB COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 224817444 UZZLIUOMJFOXMF-UHFFFAOYSA-N 386.813 3.091 5 40 GGBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1C(C)C 20034389 RBWWWDTXBHLRMI-UHFFFAOYSA-N 379.442 3.069 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 12911214 HQVFEOGSPUGLAW-UHFFFAOYSA-N 380.404 3.259 5 40 GGBB O=C(Nc1cccnc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 4863910 UGEKMTLKVCBITK-UHFFFAOYSA-N 398.400 3.043 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 6822466 ULOAPUMIOAMKFR-LSDHHAIUSA-N 381.498 3.298 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 17077127 YIFWIYGNJAJPNK-WAYYCVMKSA-N 377.194 3.059 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)c1cc(C)ccc1O)[N+](C)(C)CC3)OCO2 1280395 HBZBNXBPBQIULP-INIZCTEOSA-O 384.452 3.385 5 40 GGBB biogenic CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(F)cc2F)NC(=O)N1 5560104 PRGHLBSRFMFYLM-MRXNPFEDSA-N 388.330 3.140 5 40 GGBB COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)c(OC)c1 3227443 MDLADHSIDIXAGV-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCc1cccc(NC(=O)C2CC2)c1 22976426 KINWNHCTPIVCLR-UHFFFAOYSA-N 396.447 3.452 5 40 GGBB COc1cccc(C(=O)N2CCCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 57142269 OCNCTOUCZULPSZ-UHFFFAOYSA-N 397.431 3.159 5 40 GGBB COc1ccc(OC2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 48272434 ADKVVKNJEIVGJN-UHFFFAOYSA-N 382.420 3.454 5 40 GGBB Cc1c([N+](=O)[O-])cc(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 33354595 KNOBUJAQSMBGDD-UHFFFAOYSA-N 390.264 3.167 5 40 GGBB CN(C)C(=C1c2cc([N+](=O)[O-])ccc2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C 95682014 GXTFCOHYCWLJQH-UHFFFAOYSA-N 399.363 3.232 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 7573766 PXTJSEXYUZDKGT-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB CCC(CCNC(=O)c1ccccc1)(CCNC(=O)c1ccccc1)[N+](=O)[O-] 1706481 RNTKZJIOOPHNAL-UHFFFAOYSA-N 383.448 3.052 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)o1 3602722 BDFFUFINFPFTQI-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 8779778 URBPAUUZMXAKPJ-UHFFFAOYSA-N 391.431 3.344 5 40 GGBB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1(C)C 43087524 KIBHSAXZHHGGDH-CJNGLKHVSA-N 391.493 3.179 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H](c1cccs1)N1CCCCC1 27584771 RMQMRLTWKPKWJM-INIZCTEOSA-N 389.477 3.379 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)ccc1O 14246935 ZXYKMECWHVVVDB-UHFFFAOYSA-N 394.739 3.356 5 40 GGBB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])s2)ccc1C 5446581 PYQXUCHHHZHRGL-UHFFFAOYSA-N 397.478 3.248 5 40 GGBB O=c1[nH]c(/C=C/c2ccc(OCc3cccc(F)c3)cc2)nc(O)c1[N+](=O)[O-] 9235133 NLCAEYFWKULTRB-RMKNXTFCSA-N 383.335 3.272 5 40 GGBB C[C@H](OC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC(=O)Nc1ccccc1 22414723 BZPZIXKMCHDFMX-JTQLQIEISA-N 391.767 3.142 5 40 GGBB CC[C@@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1F 72304152 STIZQJKPICXYHT-RHSMWYFYSA-N 382.413 3.062 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)c1 224823429 VAQWCTUOTBVFID-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(C)=O 224770050 DTYNVZOKKXIVRO-UHFFFAOYSA-N 395.462 3.384 5 40 GGBB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]21 100788697 ZXEWWXJSZFWEBU-FCRVUTKVSA-N 396.786 3.208 5 40 GGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 22009526 CTBXIEVDKDEAQI-OAHLLOKOSA-N 396.447 3.152 5 40 GGBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1)c1ccc(F)cc1 10216912 FMGLAPZTXWCLSD-SNVBAGLBSA-N 387.396 3.494 5 40 GGBB Cc1cc(C)n2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)nc2n1 3467492 NFZPIANINRRKON-UHFFFAOYSA-N 392.828 3.034 5 40 GGBB CNc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1[N+](=O)[O-] 7031211 BYOQLZMSUGUBSJ-UHFFFAOYSA-N 382.420 3.127 5 40 GGBB O=C(Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)N1CCc2sccc2C1 95459948 NIIYTGSIXJLJGF-UHFFFAOYSA-N 376.825 3.244 5 40 GGBB COCCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc(C)c1C 32893955 KXFRLNBAAREUIV-UHFFFAOYSA-N 378.454 3.094 5 40 GGBB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 217891952 AFLVQJLQONWMFB-IZZDOVSWSA-N 394.387 3.325 5 40 GGBB COc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)ccc1OC(C)=O 3283293 CJOJHAOLVUYALB-OQLLNIDSSA-N 396.355 3.182 5 40 GGBB O=C(NCc1nnc(S)n1-c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 4059269 JZRSXSGCOUCZDI-UHFFFAOYSA-N 389.824 3.048 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-n2cccn2)nc1 12545534 JYSFSDFOKUSODG-UHFFFAOYSA-N 395.422 3.374 5 40 GGBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 20144848 SHSJUKTXHCFPIM-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB C[C@H](c1ccccc1)N1CC[C@@H](Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 538084137 NMSVNYLSZVFFOE-UKRRQHHQSA-N 379.420 3.491 5 40 GGBB Cc1[nH]c(-c2ccccc2)nc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 32933267 GIPYEZFOEDMVAG-UHFFFAOYSA-N 380.360 3.089 5 40 GGBB CCOC(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)[C@H](C)CC 98009175 YUYJXXQLXATUFW-AHEVQNHNSA-N 375.830 3.366 5 40 GGBB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1O 260766036 ITPZVXAEJWRNAU-HPEXNQPKSA-N 386.433 3.293 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c1C 15952209 QBZKHGOTLDCKQU-YIONKMFJSA-N 388.420 3.089 5 40 GGBB O=C(Nc1cc(F)ccc1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270734 OWVBOIBOVIMEBS-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)NCCc1ccccc1 8209489 PKAGPGFZYXTEHB-UHFFFAOYSA-N 384.417 3.096 5 40 GGBB C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 9352444 GFHPFJPNIUAOMP-CYBMUJFWSA-N 380.466 3.315 5 40 GGBB CCn1c(Sc2cc(C)c([N+](=O)[O-])cc2Cl)nnc1N1CCOCC1 24828402 KRFKPMUURYSATH-UHFFFAOYSA-N 383.861 3.156 5 40 GGBB Cc1ccc(NC(=O)[C@H](NCCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1 12629357 FJXYACKOJLQMNP-HXUWFJFHSA-N 393.447 3.459 5 40 GGBB CCOc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1[N+](=O)[O-] 10107756 BSXPCOFACSHRHS-UHFFFAOYSA-N 394.391 3.234 5 40 GGBB CCc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4889792 RUIKVMLLRHZPHJ-UHFFFAOYSA-N 398.415 3.034 5 40 GGBB CN(CCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45797357 FAAKCHVLEYRURV-UHFFFAOYSA-N 384.841 3.089 5 40 GGBB COc1ccc(N2C3=[N+](CCCCC3)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 1909457 HZKYSRQQWRJSFU-NRFANRHFSA-N 382.440 3.254 5 40 GGBB C[C@@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 72301804 CHPXJMWTGHSSDU-GHMZBOCLSA-N 390.253 3.408 5 40 GGBB Cc1ccccc1C(=O)NC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48272429 WDCDHWUKGTWWAS-UHFFFAOYSA-N 393.447 3.105 5 40 GGBB COc1ccccc1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 95471162 QCJWLAKMCWNFER-UHFFFAOYSA-N 393.311 3.465 5 40 GGBB O=C(O)c1cccc(Nc2ncnc(Nc3cccc(C(=O)O)c3)c2[N+](=O)[O-])c1 16399443 OGHKJKRJHGVOON-UHFFFAOYSA-N 395.331 3.268 5 40 GGBB NC(=O)CCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226345419 NXYJJKIRZRJUGK-UHFFFAOYSA-N 379.210 3.354 5 40 GGBB COc1cc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c([N+](=O)[O-])cc1OC 5441213 LJRQJHHLTDFVPT-UHFFFAOYSA-N 399.403 3.381 5 40 GGBB O=C(/C=C/c1ccc(Cl)cc1)N[C@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O 6512003 VCMOZQACUJPBAC-ICFOYXHFSA-N 384.779 3.101 5 40 GGBB CN(Cc1ccc2ccccc2c1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 12817248 WDFYGSDDQOTHKC-UHFFFAOYSA-N 377.400 3.136 5 40 GGBB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccccc1[N+](=O)[O-] 5129122 VAGBYMMKFPNQCD-SOFGYWHQSA-N 395.165 3.145 5 40 GGBB O=[N+]([O-])c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140901 SVGCUQPFUNGZAE-VIFPVBQESA-N 383.411 3.097 5 40 GGBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 224760965 REIMQNFCOJBFDS-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB CCOC(=O)C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 2023869 VAFMBLXQKMRHNS-INIZCTEOSA-N 388.332 3.354 5 40 GGBB NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 4078832 AUQLXFYUEMSRFJ-FNORWQNLSA-N 377.447 3.347 5 40 GGBB COc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] 16321433 JLZLPEINVGJEAW-UHFFFAOYSA-N 386.389 3.424 5 40 GGBB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 8416411 LWZPEACQJJWBQD-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 25376251 YYHFJVKLRCIRDZ-UWVGGRQHSA-N 382.360 3.003 5 40 GGBB Cc1ccc(-c2noc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 14329008 KIHJJAWQBFQPET-UHFFFAOYSA-N 379.420 3.275 5 40 GGBB Cc1cccc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1C 8152575 XGAHHXFARJDYSY-UHFFFAOYSA-N 385.420 3.149 5 40 GGBB C[C@H](NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccccc1 409129773 MFGXFTRHCRHAKP-ZDUSSCGKSA-N 397.460 3.360 5 40 GGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c([N+](=O)[O-])c1 408573264 NFVVPUIEQUJYTN-UHFFFAOYSA-N 397.431 3.042 5 40 GGBB Cc1ccc(C(=O)NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 33664155 KMRYMAQNDAJIPG-UHFFFAOYSA-N 397.460 3.254 5 40 GGBB CCC(=O)Nc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)OC 2072207 BJIYHVKQJSRVML-UHFFFAOYSA-N 391.405 3.352 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(=O)[nH]c2ccccc12 42918644 UUIXNTJEFGSTMW-UHFFFAOYSA-N 375.287 3.290 5 40 GGBB COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12943507 PARYCRVWEWRDRZ-HNNXBMFYSA-N 384.388 3.352 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)c3ccc(OC(F)F)cc3)n2)cc1 58341780 PRJAMHWKXILYLS-HNNXBMFYSA-N 376.319 3.188 5 40 GGBB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 10543969 ILDHLRSLVOYTAO-ZDUSSCGKSA-N 394.449 3.432 5 40 GGBB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)c1ccc([N+](=O)[O-])o1 21681328 UVPLLCWPBDEPHT-UHFFFAOYSA-N 384.417 3.455 5 40 GGBB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 57593940 MIBBIWLCPUTEDI-UHFFFAOYSA-N 392.795 3.170 5 40 GGBB Cc1cccc(OCCN(C)C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1 14115149 WQLBHVJGGQOUPL-VOTSOKGWSA-N 398.415 3.320 5 40 GGBB C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 6887290 GZVLEKJCRAUAKZ-GOSISDBHSA-N 391.330 3.163 5 40 GGBB Cc1nc2ccc(NS(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)cc2s1 89729913 OHDBWMCSGHACAG-UHFFFAOYSA-N 377.447 3.497 5 40 GGBB Cc1cccnc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408624738 VZZUMKMFZSLWEQ-UHFFFAOYSA-N 399.476 3.415 5 40 GGBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 225059435 GDTIQGHQHZDYOT-UHFFFAOYSA-N 386.385 3.028 5 40 GGBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n1C 409171074 XYAJDARCLUCKAG-UHFFFAOYSA-N 399.432 3.135 5 40 GGBB CCOc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)O[C@@H](C)C2 12757178 RTTZTHCOAMIAQR-LBPRGKRZSA-N 392.433 3.426 5 40 GGBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 4121236 IJBQCWNTXAIOQG-UHFFFAOYSA-N 396.447 3.214 5 40 GGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC[C@@H]2O 9943071 MBYWAZLPPWIZGL-ZDUSSCGKSA-N 390.417 3.455 5 40 GGBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1O 409229023 INUANOSUICKQSC-CXUHLZMHSA-N 397.387 3.100 5 40 GGBB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 225147946 LZWCWEYBWWPYPM-UHFFFAOYSA-N 393.446 3.353 5 40 GGBB O=c1c([N+](=O)[O-])c(NCCNc2cccc3ccccc23)nc2ccccn12 25066135 UYOYEZIEXXQDAY-UHFFFAOYSA-N 375.388 3.280 5 40 GGBB CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2ON1c1ccccc1 101054702 SRVKUUHUJMQTIZ-SQNIBIBYSA-N 381.388 3.073 5 40 GGBB CC(C)c1ccc2c(c1)[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])C(=O)N2 102145430 TWYFVSNANRJXSN-LJQANCHMSA-N 382.420 3.330 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 6478600 ILWNQRLGZAXAQX-UHFFFAOYSA-N 387.348 3.274 5 40 GGBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC1CC1 6624587 URCNCXSBGOJROQ-UHFFFAOYSA-N 383.407 3.249 5 40 GGBB biogenic C[C@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@@H](C)O1 72301802 CHPXJMWTGHSSDU-PHIMTYICSA-N 390.253 3.408 5 40 GGBB CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1O 409038785 FQSBRRYNICWCKN-GDNBJRDFSA-N 399.428 3.304 5 40 GGBB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1 199409544 USNVXYHPXNAIJU-UHFFFAOYSA-N 398.202 3.495 5 40 GGBB CCOc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187938 HNVSLVWNEMCLKJ-UHFFFAOYSA-N 393.399 3.456 5 40 GGBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 6126425 AVTYKFVBMMUJIN-UHFFFAOYSA-N 392.751 3.074 5 40 GGBB CC(C)(CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 23042845 ONFVUNIHPAVMKK-UHFFFAOYSA-N 383.448 3.349 5 40 GGBB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 11549004 FJEPIQHNOZXNOP-MRXNPFEDSA-N 386.404 3.355 5 40 GGBB CC(=O)NC(=S)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6238384 TULQVIPWOHNUBR-BJMVGYQFSA-N 384.417 3.080 5 40 GGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2ccc(C(=O)O)cc2)CC1 20142836 BEYXXAGXLQSUEC-UHFFFAOYSA-N 397.431 3.459 5 40 GGBB COc1c(OC(C)=O)ccc([C@H]2NC(=O)c3c(sc(C)c3C)N2)c1[N+](=O)[O-] 4501987 GBTFXNPYBWDWDM-HNNXBMFYSA-N 391.405 3.061 5 40 GGBB COc1cc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c(C)cc1[N+](=O)[O-] 103490827 OEVBBCHKBSQQQK-IHRRRGAJSA-N 376.409 3.220 5 40 GGBB Cc1nc2nc(NCc3cccc([N+](=O)[O-])c3)nn2c(O)c1Cc1ccccc1 9316690 PBVDDMSTASXMAT-UHFFFAOYSA-N 390.403 3.249 5 40 GGBB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1cccc([N+](=O)[O-])c1 98086494 PBNVPJCWXWDZNT-CXUHLZMHSA-N 385.401 3.321 5 40 GGBB CCOC(=O)N1CCN(C(=S)Nc2cc3cccnc3c3cccnc23)CC1 33680680 OUBSMTHJKCFGIR-UHFFFAOYSA-N 395.488 3.254 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)n1nnc(-c2ccccc2)n1 48342960 JYDKEMLBGVOCKX-KRWDZBQOSA-N 396.407 3.093 5 40 GGBB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224758405 FOOQJCPARVQGPG-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)NC1CCCCC1 4183741 PYAMVIHWDVRYKZ-UHFFFAOYSA-N 392.455 3.147 5 40 GGBB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 9368378 FNTBKZLWRJTRHW-SECBINFHSA-N 396.450 3.051 5 40 GGBB COc1cc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cc([N+](=O)[O-])c1 48290849 QHOLMVAAOMEFCV-UHFFFAOYSA-N 384.436 3.309 5 40 GGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCCCCC3)n2)c1 5163752 CRCZKYCPVNSFBF-UHFFFAOYSA-N 388.428 3.108 5 40 GGBB COC(=O)C[C@@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 95462543 ORWIUGFTGOXFFO-MRXNPFEDSA-N 382.376 3.039 5 40 GGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1F 95430809 CFPAYHULROCFMW-UHFFFAOYSA-N 386.229 3.230 5 40 GGBB O=C(Cc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc1)N1CCCC1 225990058 KBPULQWAJLYHRE-UHFFFAOYSA-N 393.443 3.430 5 40 GGBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H](C)CC(=O)c1ccccc1 84086291 LFBYFWOCOUBKQI-CQSZACIVSA-N 376.434 3.151 5 40 GGBB O=C(c1cnn(-c2ccccc2[N+](=O)[O-])c1)c1cc(Br)ccc1O 2645846 HPVXGKLWYBTZOS-UHFFFAOYSA-N 388.177 3.480 5 40 GGBB C[C@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1 2731367 HGSPSNGQJFYVLT-GFCCVEGCSA-N 396.436 3.241 5 40 GGBB O=[N+]([O-])c1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 101070138 CZHNBGJHXJYUKO-OAHLLOKOSA-N 399.208 3.400 5 40 GGBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2 4822106 JQTVWDHUYIVZGV-AATRIKPKSA-N 384.432 3.236 5 40 GGBB COc1ccccc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 89481818 BFCDJAAWGUQQTC-UHFFFAOYSA-N 377.422 3.132 5 40 GGBB O=[N+]([O-])c1cc(I)ccc1NCc1cn2ccccc2n1 32927111 HTIQUIYYRSJRPX-UHFFFAOYSA-N 394.172 3.459 5 40 GGBB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 224706183 QQKIJGDFTSRICL-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB Cn1cnnc1[C@H]1CCCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C1 31653392 AAZYFBUXXKHBFU-KRWDZBQOSA-N 391.431 3.338 5 40 GGBB O=C(c1ccc([N+](=O)[O-])o1)c1sc(N2CCOCC2)nc1-c1cccs1 2641806 IHRZBULBHQJCIO-UHFFFAOYSA-N 391.430 3.440 5 40 GGBB Cc1cc(C)n(CCC(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 11593259 FDCOHYWYKTURQF-GFCCVEGCSA-N 394.815 3.022 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(N2CCOCC2)nc1 14306765 HDQPPXYBSMSJCQ-UHFFFAOYSA-N 382.342 3.457 5 40 GGBB COCc1cc(C)nc2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3O)c(N)c12 6659313 QFAOATIQHKUHBD-UHFFFAOYSA-N 388.405 3.199 5 40 GGBB CC(C)C[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 17918949 OQTSTRMAGBTNRN-OTWHNJEPSA-N 395.415 3.319 5 40 GGBB Cc1cc(Br)ccc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 3506553 YGZGTGXCGJCAKO-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)cc1 22762135 CBYZVSDFHFRAKM-VXPUYCOJSA-N 382.445 3.325 5 40 GGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2Cl)cc1[N+](=O)[O-] 3442481 JAUQMRCADQSEPZ-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB CC(C)C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 6560792 JXTRTBSBVXARRG-GOSISDBHSA-N 396.399 3.349 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(Br)cc1 224735740 YXSGIPKVLLNVCC-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1N1CCCCC1=O 5330131 QAZCJHFGRBHTOP-UHFFFAOYSA-N 389.433 3.221 5 40 GGBB COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCCOc1ccc([N+](=O)[O-])cc1 1746717 SKHLUPRHMHHBLS-UHFFFAOYSA-N 398.371 3.086 5 40 GGBB Cc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] 6966949 KASSSRABLOXUHG-UHFFFAOYSA-N 397.172 3.464 5 40 GGBB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 7929501 ZNBBCMYFSGTULV-CQSZACIVSA-N 384.388 3.124 5 40 GGBB Cn1/c(=N\C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)sc2ccccc21 104991773 FQVBGPBKTWYNCW-CZIZESTLSA-N 379.401 3.075 5 40 GGBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)cnc32)cc1 2274271 SGFVIWKEXRZPHG-UHFFFAOYSA-N 399.454 3.492 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccccc1I 5679552 XBGZBOHFELXXCT-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB COc1ccc2c(-c3cc4c(c([N+](=O)[O-])c3)OCCO4)c3c(nc2c1)COC3=O 85408607 GWUKOOAQIRLNGM-UHFFFAOYSA-N 394.339 3.260 5 40 GGBB CCN(CC)C(=O)c1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1 28063454 XMSIGPBQXOXJHK-UHFFFAOYSA-N 381.392 3.205 5 40 GGBB COc1cc(NC(=O)CSc2ccc3c(c2)OCCO3)c(C)cc1[N+](=O)[O-] 5019103 XNTDSPMRONHWRN-UHFFFAOYSA-N 390.417 3.414 5 40 GGBB Cc1csc([C@@](O)(CC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)n1 65512320 JVWVRILSJDVFJZ-ZDUSSCGKSA-N 375.328 3.138 5 40 GGBB Cc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)c(C)c1 5400787 FLJOFBMOUXIQLO-UHFFFAOYSA-N 378.388 3.074 5 40 GGBB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(N)c([N+](=O)[O-])c1 7040260 GWOFZNVAALCMAC-UHFFFAOYSA-N 384.344 3.457 5 40 GGBB CCOc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 8174862 JBVQKOVJNOCORV-UHFFFAOYSA-N 399.447 3.403 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)c1C 408623055 QPTPPEJLRQUGFJ-UHFFFAOYSA-N 387.417 3.110 5 40 GGBB CCn1c(Sc2ccc([N+](=O)[O-])c3nonc23)nnc1-c1ccccc1O 408604383 ILZRBRFXHSOJMC-UHFFFAOYSA-N 384.377 3.266 5 40 GGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2)cc1 60383603 XJKHZMLZIMBUIQ-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280089 CYDUFDRHCDJTNR-QGZVFWFLSA-N 384.452 3.379 5 40 GGBB biogenic CC[C@H]1CCc2c(sc3ncn4nc(Cn5cc([N+](=O)[O-])cn5)nc4c23)C1 2803780 RKUBPVVBTCVFTG-JTQLQIEISA-N 383.437 3.007 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(Sc2nc(C(C)C)n[nH]2)c([N+](=O)[O-])c1 12974902 IINCLGPTSCITSG-UHFFFAOYSA-N 399.498 3.018 5 40 GGBB C[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 17842589 JQLUAZFNQHIPAR-NSHDSACASA-N 375.406 3.222 5 40 GGBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCCCC1 15952800 FZQBNPIYACRZIO-UHFFFAOYSA-N 381.325 3.351 5 40 GGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1)S(C)(=O)=O 13711551 IZXPCPTUPFDPNA-INIZCTEOSA-N 391.449 3.087 5 40 GGBB O=[N+]([O-])c1cnc(NCCc2ccc(Br)s2)nc1NC1CC1 26700396 SAKSLFLZDKFJHS-UHFFFAOYSA-N 384.259 3.438 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc(C)c2)c1=O 5269747 VDESSJKVTNOWAV-UHFFFAOYSA-N 393.399 3.374 5 40 GGBB O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 32770574 UUZQGGUAJQTOLJ-UHFFFAOYSA-N 376.705 3.063 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O 3195184 YWVSOVYNFGHJNE-UHFFFAOYSA-N 388.335 3.332 5 40 GGBB Cc1ccc([C@](O)(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 12740489 WCDCSIYCSROQKZ-OAHLLOKOSA-N 387.314 3.458 5 40 GGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2)C1 12939781 CVBJHGZKZXEVQL-MRXNPFEDSA-N 396.447 3.192 5 40 GGBB COc1ccc([C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1OC 40001149 PQXDGZMHFPJRGK-MRXNPFEDSA-N 388.424 3.036 5 40 GGBB O=C(NCc1ccc(F)cc1)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2798203 QSOTZVSNZAGUJD-UHFFFAOYSA-N 391.362 3.374 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 9229354 KVNZEULBFVMHNW-XLNAKTSKSA-N 395.415 3.156 5 40 GGBB O=[N+]([O-])c1ccccc1Nc1nc2nonc2nc1Nc1ccccc1[N+](=O)[O-] 8440966 BJBIMYQLUWOVOS-UHFFFAOYSA-N 394.307 3.316 5 40 GGBB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224183889 ZUZGLNUVJMPIGL-LJQANCHMSA-N 397.475 3.389 5 40 GGBB O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCOCC2)nc1 224024802 RQXAAIQMEGTUIR-UHFFFAOYSA-N 390.440 3.164 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1Br 225077319 ZTQQUGARWOSCMA-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB O=c1c2c(-c3ccccc3)n3ncnc3nc2ccn1-c1cccc([N+](=O)[O-])c1 19960190 UDCAWANCCKSSRH-UHFFFAOYSA-N 384.355 3.004 5 40 GGBB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 4120122 UVVGGRDIGQYVHR-AWEZNQCLSA-N 385.445 3.494 5 40 GGBB COc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])cc1OC 23386469 GOXLGJBPWNJGTQ-VHSXEESVSA-N 376.331 3.463 5 40 GGBB CNc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12632603 RMOOJGYYCPCCSG-MRXNPFEDSA-N 383.404 3.385 5 40 GGBB C[C@H]1CN(CCCNc2c(F)cc([N+](=O)[O-])cc2Br)C[C@H](C)O1 72301803 CHPXJMWTGHSSDU-QWRGUYRKSA-N 390.253 3.408 5 40 GGBB O=C(c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)N1CCc2ccccc21 10187982 YXLVYYQETQPZDR-UHFFFAOYSA-N 375.384 3.008 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7929506 CCZXAWUKLBWDOT-AWEZNQCLSA-N 384.388 3.179 5 40 GGBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1Cl 8560721 NOYLFDRNZAIAGT-UHFFFAOYSA-N 381.728 3.426 5 40 GGBB O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59498688 YWTHBOHFMCGJNB-UHFFFAOYSA-N 399.388 3.392 5 40 GGBB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71979938 GXEAOBYVVFTIAU-DPBGWIHLSA-N 382.800 3.080 5 40 GGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C)c1)S(C)(=O)=O 220506523 KKQDQCMVANQJSH-QGZVFWFLSA-N 391.449 3.087 5 40 GGBB Cc1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1Cl 4575090 PVCMSCNNVXVBIV-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3)cc2Cl)cc1 2781332 BQAQPXNWEFYDAN-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB Cc1cc(N2CCN(C(=O)Nc3ccccc3[N+](=O)[O-])CC2)nc(C(C)C)n1 24236872 BWTCXKAOMXBZRV-UHFFFAOYSA-N 384.440 3.171 5 40 GGBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(Cl)cc1)[C@H]1CCCN12 408569785 XUWZNFYVDPGKPM-MLYOOKFZSA-N 383.835 3.395 5 40 GGBB CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 863316 JUXRTAPUVUOTIU-QGZVFWFLSA-N 394.474 3.430 5 40 GGBB Cc1cccc(NC2=N[C@H](c3cccc([N+](=O)[O-])c3)n3c(nc(C)cc3=O)N2)c1 7496332 GWBXPVTZMPCOQP-SFHVURJKSA-N 390.403 3.209 5 40 GGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1C(C)C 20034392 MYIGSXHNOFYXKV-UHFFFAOYSA-N 379.442 3.069 5 40 GGBB C[N+]1(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCOCC1 27666072 QQRMQHYXTNBZKF-GAWOJFTKSA-N 386.556 3.371 5 40 GGBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1C[C@H]1CCCO1 2252925 WIBBNLHUCFXTQP-MRXNPFEDSA-N 397.438 3.463 5 40 GGBB COc1ccc(OC[C@@H](O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 11148930 YEUKQCHGMLTGHT-HNNXBMFYSA-N 380.828 3.129 5 40 GGBB COCCCn1c(-c2ccccc2F)nc2c(c(=O)c3ccccc3n2C)c1=O 5450892 MHULPACYZQCUPJ-UHFFFAOYSA-N 393.418 3.091 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](n2ccnc2)Cc2ccccc21 95961700 YNQVVZIJYZBAFY-INIZCTEOSA-N 398.444 3.092 5 40 GGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ncc(Cl)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 226248860 QFKAMLKSYIATLM-UHFFFAOYSA-N 384.648 3.111 5 40 GGBB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 225691324 HQNYHEMBJAWARG-UHFFFAOYSA-N 393.446 3.100 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 4107132 ACZYPRMUQVMXFK-QPJJXVBHSA-N 394.343 3.068 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 3383717 ILUXMRIQPHPNFZ-UHFFFAOYSA-N 384.266 3.289 5 40 GGBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cnccn2)c2ccccc2)c([N+](=O)[O-])c1 6486098 PFAKILKJZGYUAS-GOSISDBHSA-N 392.371 3.230 5 40 GGBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cnccn2)c2ccccc2)c([N+](=O)[O-])c1 6486099 PFAKILKJZGYUAS-SFHVURJKSA-N 392.371 3.230 5 40 GGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(N2CCCC2=O)c1 10634031 PTVYOKFDKMZFMQ-UHFFFAOYSA-N 389.795 3.393 5 40 GGBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 225014297 MSVUQRNQHXONRU-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 253564407 GMBJHBDZXWAQAP-BIENJYKASA-N 389.459 3.421 5 40 GGBB O=C(Nc1ccc(F)c(Cl)c1)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 100222063 OYFJBEPAJLXDIB-UHFFFAOYSA-N 384.663 3.456 5 40 GGBB COCCOc1ccc([C@@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 48373891 XIDHQRZHFKZTKX-CQSZACIVSA-N 388.420 3.428 5 40 GGBB COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 4402385 GRBQDMWEWBRXMT-UHFFFAOYSA-N 393.311 3.465 5 40 GGBB COC(=O)c1cc(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc([N+](=O)[O-])c1 16110242 DQLQQRPSJOYOSL-OAHLLOKOSA-N 390.392 3.487 5 40 GGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1 210806565 USWXQNDYGQUCQP-XNTDXEJSSA-N 383.385 3.270 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)s2)CC1 36773851 ORQKDHOZJVXCLP-UHFFFAOYSA-N 379.869 3.197 5 40 GGBB CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)[nH]c2ccc(Br)cc21 97032838 LJLZWBNMXQXCQU-UHFFFAOYSA-N 389.209 3.401 5 40 GGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCSCc2ccccc2Cl)c1 33571114 JPMAQQFLSVZIRG-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB COc1ccc(C2=CCN(S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 32936903 IIQNVMVHIHXNHB-UHFFFAOYSA-N 388.445 3.390 5 40 GGBB Cc1cccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220133898 ODYDWYRSUCEDNS-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB Cc1ccccc1CSCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 44901148 HSYXDTJFTMWTCF-UHFFFAOYSA-N 380.491 3.256 5 40 GGBB CN1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2nc3ccccc3nc21 8061616 PEDYZTZJCDRCIC-ZHACJKMWSA-N 389.415 3.424 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 10325527 KPBNIODZUCZJQM-UHFFFAOYSA-N 375.384 3.439 5 40 GGBB CC(C)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 850459 XUUGVZYWWYSCAF-UHFFFAOYSA-N 381.388 3.343 5 40 GGBB COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Br 6846859 AHQHKHDQGMLREF-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB CCc1nc2oc3ccccc3c(=O)c2c(=O)n1CCc1ccc(OC)cc1 2353773 NFMCJHAZIFWBBU-UHFFFAOYSA-N 376.412 3.317 5 40 GGBB Cc1nn(Cc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c(C)c1[N+](=O)[O-] 6526529 UKTPBMYSECMLAS-UHFFFAOYSA-N 389.375 3.307 5 40 GGBB COc1cccc(-c2cnc(NCc3cc4c(cc3[N+](=O)[O-])OCO4)n2C)c1 4678524 WGJZIBCGXDVNAA-UHFFFAOYSA-N 382.376 3.345 5 40 GGBB C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399048 DULVXWJKHKZCFL-SCLBCKFNSA-N 375.432 3.175 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(-c2cccnc2)n[nH]1 4954335 VIHBMYQGVGBPNE-NSHDSACASA-N 384.421 3.203 5 40 GGBB CCCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 107737258 CGNPVYHNAQZLNU-UHFFFAOYSA-N 398.916 3.352 5 40 GGBB CC1(C)CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 2231429 YRIKTAQLPYVYEW-UHFFFAOYSA-N 383.433 3.480 5 40 GGBB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122616 CSRQZHQJDGHHBB-UHFFFAOYSA-N 396.447 3.284 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)cc2F)cc1[N+](=O)[O-] 6948915 XRZLMFZMBQSNFZ-UHFFFAOYSA-N 391.359 3.405 5 40 GGBB Cn1cnnc1Sc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1[N+](=O)[O-] 32641959 RVVNSHOGRUPOBG-MDWZMJQESA-N 379.401 3.367 5 40 GGBB COc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 35425857 OZUSCEIGLXORGM-INIZCTEOSA-N 381.392 3.386 5 40 GGBB biogenic,in-vitro O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 16401732 YTUQDFOFCITVEC-VZJWBNGJSA-N 390.395 3.485 5 40 GGBB O=C1OC(c2ccc(Br)cc2)=NC1=Cc1cc([N+](=O)[O-])ccc1O 2049286372 QMMFJHJYOSUDJL-UHFFFAOYSA-N 389.161 3.407 5 40 GGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1ccncc1 886901 WABDJGJWEDHVCP-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB Cc1nccn1C[C@@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 54620084 CMIHUDSKZGXANO-INIZCTEOSA-N 388.471 3.112 5 40 GGBB COc1ccc([C@@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)cc1OC 100848886 IDUCOQQKMKDLIN-MRXNPFEDSA-N 383.404 3.312 5 40 GGBB COc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl 5815059 YGNMHKLNWJWCBE-UHFFFAOYSA-N 386.813 3.375 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 4626094 IRXGFWCBPCVAFK-AWEZNQCLSA-N 386.433 3.128 5 40 GGBB CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 13303496 NXTAREKTBZLSCB-MHZLTWQESA-N 395.349 3.480 5 40 GGBB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 37164650 VOXZYULWMGKLMZ-ZDUSSCGKSA-N 381.388 3.290 5 40 GGBB O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 6517149 CYZPAHJAZGRHDP-UHFFFAOYSA-N 390.808 3.216 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(n2c(C)ccc2C)CC1 58159737 ICZYZWFIEDCPIM-UHFFFAOYSA-N 377.466 3.347 5 40 GGBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2CC(C)C 4326214 PKKBHNVEGNAQRH-OAHLLOKOSA-N 391.475 3.438 5 40 GGBB C[C@@H](OC(=O)c1cccc(N(C)C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 4505913 URGXKPRVYKIAEA-LLVKDONJSA-N 391.811 3.498 5 40 GGBB COc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 409126654 MCYCPRCXKLNCOP-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB COc1cc(OCC(=O)Nc2nnc(SCC(C)C)s2)ccc1[N+](=O)[O-] 223507030 AIYRLMSXSYEUBQ-UHFFFAOYSA-N 398.466 3.221 5 40 GGBB O=C1COc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(Cl)cc2N1 24570420 YPQREPUHKJOMBF-UHFFFAOYSA-N 382.159 3.485 5 40 GGBB Cc1c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cccc1[N+](=O)[O-] 28435742 ZMYIBZATMDTOQK-UHFFFAOYSA-N 388.323 3.449 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 12846608 DCYOIZABNOOFMO-GJZGRUSLSA-N 396.447 3.352 5 40 GGBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(Br)c([N+](=O)[O-])c1 5938538 KDEUYECFUSOWDT-UHFFFAOYSA-N 379.166 3.016 5 40 GGBB COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1Br 9724757 QQAQAFYNMNUTKF-UHFFFAOYSA-N 390.193 3.124 5 40 GGBB COc1cc(CN2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F 95405691 ZAELKFACWPDODM-NSHDSACASA-N 382.367 3.308 5 40 GGBB CSc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408566857 PNRLTRDFEJRDKO-YOUFYPILSA-N 395.484 3.463 5 40 GGBB Cc1c(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] 5250623 ZJWKFPFHXUCPLP-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1cc(Cl)ccc1[N+](=O)[O-] 8982056 ZCUBYUVYSRVMEZ-NSHDSACASA-N 391.786 3.170 5 40 GGBB CN(C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C 78935094 NSHLTDBYWYDMOR-ZDUSSCGKSA-N 381.404 3.205 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 8560816 CUFDFUAGFSDWBB-UHFFFAOYSA-N 375.337 3.146 5 40 GGBB Cc1ccc(F)cc1NCC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 12919132 HSJKWGKCULHWEV-UHFFFAOYSA-N 375.356 3.254 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(OC(F)(F)F)cc1 6510589 SNFIIIJERQQBKS-UHFFFAOYSA-N 397.309 3.252 5 40 GGBB CC1CCN(c2ccc(C(=O)OCC(=O)N[C@H](C)C(C)C)cc2[N+](=O)[O-])CC1 6542878 IJDCPYSKPLAKLW-OAHLLOKOSA-N 391.468 3.149 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc2nc(O)[nH]c2cc1N1CCCC1 408527502 DPHZCCPJSUNUQB-VMPITWQZSA-N 393.403 3.429 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 30859104 MMHCMKUXBQBDAS-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB O=C(C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccc([N+](=O)[O-])c1 5196243 RTCHOVNXKJQADF-INIZCTEOSA-N 381.171 3.314 5 40 GGBB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[S@](=O)C2 4106205 YVCAKWPGWNXJIO-AREMUKBSSA-N 396.856 3.214 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Cl)cc2C)cc1[N+](=O)[O-] 8560846 HIBBSJCEXULBOW-UHFFFAOYSA-N 395.755 3.491 5 40 GGBB CC(C)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1 25536657 OOBWPGMKZXACHC-NRFANRHFSA-N 381.476 3.336 5 40 GGBB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc([N+](=O)[O-])cc1 4979644 XHQQEVJAQPUENR-UHFFFAOYSA-N 391.383 3.427 5 40 GGBB CCc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 15381812 AYEMOZHJRIGQPH-UHFFFAOYSA-N 395.459 3.469 5 40 GGBB O=C(NCc1ccc(N2CCCC[C@H]2CCO)nc1)Nc1cccc([N+](=O)[O-])c1 40150066 XPGSKZYKYHZXKM-KRWDZBQOSA-N 399.451 3.053 5 40 GGBB CCOC(=O)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCC2 40945754 DIUYWNITRZICBX-UHFFFAOYSA-N 396.446 3.123 5 40 GGBB COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1C 223824305 DQQFVALHHWKAEC-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB O=C(O)c1cc(Cl)c(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 226354513 CAMJGQSSEWCFGH-UHFFFAOYSA-N 391.188 3.401 5 40 GGBB CC(=O)c1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 5270721 CQCADJLRKYXXHG-UHFFFAOYSA-N 391.383 3.260 5 40 GGBB CCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5421698 MFDVIGUOGJPCAW-UHFFFAOYSA-N 390.399 3.234 5 40 GGBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1N1CCCC1=O 5329574 ULGKEFDOJDLICG-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB O=C(OCc1cccc(F)c1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 48235052 ZRSDMTNTESOBPL-UHFFFAOYSA-N 378.331 3.067 5 40 GGBB CCOc1cc(C(=O)NCc2nc3ccccc3n2CC)c([N+](=O)[O-])cc1OC 36398138 QOJVSOLLBBZPFA-UHFFFAOYSA-N 398.419 3.302 5 40 GGBB CC(C)c1noc(CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 12733270 MZZVXJKNZBPBPN-UHFFFAOYSA-N 399.373 3.442 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2[N+](=O)[O-])C1 16756326 YEMZLRNKBYMWEZ-CQSZACIVSA-N 397.431 3.287 5 40 GGBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)CC 408696424 BHBMZCSHFIDYRV-UHFFFAOYSA-N 393.421 3.143 5 40 GGBB CCOC(=O)c1ccc(C)c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 44883223 FXXDLDYWZJOCND-UHFFFAOYSA-N 378.406 3.022 5 40 GGBB O=C(O)COc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)cc1 96927506 GMERQPQPYPUZKT-UHFFFAOYSA-N 384.304 3.258 5 40 GGBB CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 13670816 PRPLXHNVOMEQDQ-CYBMUJFWSA-N 394.449 3.432 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)CC3)OCO2 20112929 ZDKJSVJFPLVQLX-OAHLLOKOSA-N 384.388 3.134 5 40 GGBB biogenic O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@@H](O)c1cc(Cl)ccc1Cl 51264982 CJFTXOXBKNARBY-OAHLLOKOSA-N 380.187 3.345 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7882201 STDYFTSYSHUERJ-ZFWWWQNUSA-N 383.404 3.152 5 40 GGBB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 21836908 CNMDHYOFQSTHBC-AWEZNQCLSA-N 387.411 3.404 5 40 GGBB Cc1ccn2cc(CNC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)nc2c1 65505326 HBSRYOWZSFRRKG-UHFFFAOYSA-N 393.447 3.084 5 40 GGBB COc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F 95405692 ZAELKFACWPDODM-LLVKDONJSA-N 382.367 3.308 5 40 GGBB Cc1ccc(S(=O)(=O)NCCOc2cccc3ccccc23)cc1[N+](=O)[O-] 223530143 TWYKLVXNYMARAV-UHFFFAOYSA-N 386.429 3.414 5 40 GGBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C)cc1 225518443 VFHWZCLXDLSAPG-KRWDZBQOSA-N 397.475 3.388 5 40 GGBB CC(C)(C)c1cc(O)ccc1C[C@H](NSc1ncccc1[N+](=O)[O-])C(=O)O 604940273 WUAVCXAZBTWDAP-AWEZNQCLSA-N 391.449 3.286 5 40 GGBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5578909 AZTPYYXEJFNCED-UHFFFAOYSA-N 394.767 3.304 5 40 GGBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1cccc([N+](=O)[O-])c1 2617339 VBLZBCHVDCZPOD-UHFFFAOYSA-N 383.187 3.375 5 40 GGBB Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 917700 YMQNZJNOAGOUPP-UHFFFAOYSA-N 376.438 3.358 5 40 GGBB CN(C(=O)CCC1OCCO1)c1cc([N+](=O)[O-])ccc1OCc1ccccc1 1657239 UJOZJNNKIKXNJQ-UHFFFAOYSA-N 386.404 3.290 5 40 GGBB COc1ccc([C@H](C[N+](=O)[O-])[C@@H]2CCCC=C2N2CCOCC2)cc1OC 945466 JDIUZCZPZSDLBY-IRXDYDNUSA-N 376.453 3.080 5 40 GGBB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 1385504 JBHDZVGPJKUSJX-UHFFFAOYSA-N 377.282 3.447 5 40 GGBB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 12743722 ZBDCTTNIGNWGCA-UHFFFAOYSA-N 387.823 3.414 5 40 GGBB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)O 14632536 PZDLUFKERYIQLD-JQWIXIFHSA-N 386.788 3.090 5 40 GGBB O=C(NC(=S)NCc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408624031 AQKKYEXJGMFYTB-UHFFFAOYSA-N 398.488 3.390 5 40 GGBB Cc1cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c(C)n1CC(F)(F)F 5710179 OPHSNMSQSAJALX-UHFFFAOYSA-N 399.325 3.197 5 40 GGBB CC(C)(C)c1ccc(OCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 224482986 UWQMFXAJZPBVBW-UHFFFAOYSA-N 392.477 3.391 5 40 GGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1N1CCCC1=O 10634024 AEKIWDUIYNYJIC-UHFFFAOYSA-N 389.795 3.393 5 40 GGBB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 6649296 WEAPNSFPBLYCRO-UHFFFAOYSA-N 379.166 3.381 5 40 GGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)c1ccccc1 409222187 AUCYIKUSKWRTPN-CXUHLZMHSA-N 384.369 3.220 5 40 GGBB COC(=O)c1ccc(NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)s1 31892862 SETYTWFIFSLGPA-UHFFFAOYSA-N 396.446 3.323 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(NCc2csc(C)n2)c([N+](=O)[O-])c1 40122891 APLWKECLUACJDT-UHFFFAOYSA-N 384.483 3.002 5 40 GGBB COc1ccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(OC)n3)n2)cc1 2498217 LFGOPSJKHLKFJY-UHFFFAOYSA-N 395.297 3.274 5 40 GGBB Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1I 6960745 RLSSBLADFZELEA-UHFFFAOYSA-N 397.172 3.464 5 40 GGBB C[C@H]1CCc2ccccc2N1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12526934 MGIPIMUNCCUZGC-KRWDZBQOSA-N 394.475 3.085 5 40 GGBB Cc1cccc(-c2noc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)c1 57270735 FEBIKCWEOCKHLO-UHFFFAOYSA-N 379.420 3.275 5 40 GGBB O=C1C[C@@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CN1c1cccc(Cl)c1 58690144 DDLLLUPONYWRIK-CYBMUJFWSA-N 385.807 3.190 5 40 GGBB CC(=O)N[C@@H](CC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 12777401 PDIVQFDDALUFCR-LRDDRELGSA-N 375.450 3.443 5 40 GGBB C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12895559 ZGXPNTGTLIDUHA-GFCCVEGCSA-N 388.351 3.267 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC)O[C@@H](C)C2 12975296 OQVKGULSOQUHSD-LBPRGKRZSA-N 386.404 3.256 5 40 GGBB O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCc1ccccc1OC(F)F 13987673 PIFGPYBPHAUSJL-UHFFFAOYSA-N 384.310 3.073 5 40 GGBB O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NC1CCCCCCC1 9352636 XATJOEULULAYEB-UHFFFAOYSA-N 380.466 3.459 5 40 GGBB Cc1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 3462830 NNDRNTIDIWYARH-VAWYXSNFSA-N 378.388 3.045 5 40 GGBB CC(C)(C)OC(=O)NC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 58162930 YNUNROCPQDIKRT-CMDGGOBGSA-N 375.425 3.124 5 40 GGBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1 2463267 BRBTWTAMGKUGRC-ABAIWWIYSA-N 389.433 3.195 5 40 GGBB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 7552481 YJYWCNFVODWACK-HNNXBMFYSA-N 379.800 3.314 5 40 GGBB CS(=O)(=O)c1ccc(Sc2nccn2Cc2ccccc2)c([N+](=O)[O-])c1 9154687 LMGQTJNQHYOBHP-UHFFFAOYSA-N 389.458 3.394 5 40 GGBB CCCN(C)c1ccc(C(=O)N(C)CCN(C)c2ncc([N+](=O)[O-])cc2C)cc1 1615611727 PKNVHKPCXPPNAS-UHFFFAOYSA-N 399.495 3.353 5 40 GGBB CCOc1cc(NC(=O)N[C@@H]2CCNC23CCCC3)c([N+](=O)[O-])cc1OCC 592423245 PBRYIHOLGHQQFX-QGZVFWFLSA-N 392.456 3.188 5 40 GGBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 6348406 XSPDKVHZYCEOHS-INIZCTEOSA-N 386.408 3.165 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 16400899 WXMQWLNEENEXIL-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB Cc1nnc2sc3c(Cl)c4nn5c(C)nnc5sc4c(Cl)c3nn12 1572346 IPNGGVLIFDQZDO-UHFFFAOYSA-N 397.276 3.477 5 40 GGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C(=O)N1CCCC1 58108647 UQRHVROBSBQFSL-YOEHRIQHSA-N 391.493 3.079 5 40 GGBB O=C(COc1ccc(I)cc1)Oc1ccccc1[N+](=O)[O-] 3455105 VTKQLJRNWQGJDX-UHFFFAOYSA-N 399.140 3.184 5 40 GGBB COc1ccc(OC)c(Nc2nc(NCc3ccccc3)nc(N)c2[N+](=O)[O-])c1 5180650 ZDNJBFAOUWNDJV-UHFFFAOYSA-N 396.407 3.340 5 40 GGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1Cc1ccccc1 4421030 OIBLSHVPZLTPOX-UHFFFAOYSA-N 377.312 3.452 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1N1CCCCC1 24004794 RNRJOYWBVBHQGP-UHFFFAOYSA-N 396.447 3.344 5 40 GGBB Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1ccc(CN(C)C(C)C)cc1 48342407 DSMRWLWYMUIXNM-UHFFFAOYSA-N 391.493 3.222 5 40 GGBB CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 6901086 BZTUWMDCCYHPHH-GJZGRUSLSA-N 391.468 3.149 5 40 GGBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl 224761432 LBGWXADAXKOUCU-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB Cc1sc(Cl)nc1C(=O)N[C@H]1[C@@H]2CN(c3cccc(F)c3[N+](=O)[O-])C[C@@H]21 1615058301 NJONDWWSAPJINQ-WOFXILAISA-N 396.831 3.017 5 40 GGBB Cc1nc(C(C)C)sc1C(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])cc1F 1615612476 ZBSXSDQAWGGSQL-UHFFFAOYSA-N 395.460 3.226 5 40 GGBB Cc1c(OCC(=O)NCC2(c3ccccc3)CCOCC2)cccc1[N+](=O)[O-] 53837926 COBIUMSDWLXJEG-UHFFFAOYSA-N 384.432 3.147 5 40 GGBB COc1cc(OCC(=O)NCCSCc2ccc(C)cc2)ccc1[N+](=O)[O-] 66017346 HRYHYRFHOUQSKS-UHFFFAOYSA-N 390.461 3.340 5 40 GGBB CC(C)(C)CC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2368823 YNBCZKAXVKJQIA-UHFFFAOYSA-N 383.451 3.259 5 40 GGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCN(C)C2 4223366 VPCPZYITJHCDEW-UHFFFAOYSA-N 389.433 3.073 5 40 GGBB O=c1[nH]c(-c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)nc2sc3c(c12)CCCC3 17081250 OJUMEAGOZLCEMW-UHFFFAOYSA-N 397.416 3.276 5 40 GGBB N=c1nc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2[N+](=O)[O-])ss1 59488815 OLGZKABZOYFDIJ-CYBMUJFWSA-N 385.430 3.113 5 40 GGBB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 54530484 IEVSVNPGPLVBFU-UHFFFAOYSA-N 392.818 3.148 5 40 GGBB C[C@H]1CN(Cc2cccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)c2)CCO1 58162290 OWOCCVZVOGENIB-HNNXBMFYSA-N 384.436 3.137 5 40 GGBB CCOC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 7552479 YJYWCNFVODWACK-OAHLLOKOSA-N 379.800 3.314 5 40 GGBB C[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220399954 VDUBRLMGDLKTFV-LLVKDONJSA-N 397.840 3.041 5 40 GGBB C[C@@H](Sc1nnc2ccccn12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5212864 BTECPBIJDJGZRO-SECBINFHSA-N 377.813 3.410 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](c2ccccc2)S(=O)(=O)N2CCCCC2)cc1 1717716 OMCFOPZCPDRAMX-MOPGFXCFSA-N 390.461 3.185 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 7928362 FAVQKXAYTWBWLE-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB CCc1ccc(Nc2ccc(S(=O)(=O)N[C@H](C)COC)cc2[N+](=O)[O-])cc1 9596540 RQNVPRRUYNYVRC-CYBMUJFWSA-N 393.465 3.214 5 40 GGBB O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCN(Cc2ccc(Cl)cc2)CC1 32197204 GWBZAPLSDGAXRP-UHFFFAOYSA-N 399.838 3.083 5 40 GGBB Cc1ccc(N2C(=O)C[C@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)cc1C 5323047 QWDJLLUJNKSODI-HXUWFJFHSA-N 379.372 3.038 5 40 GGBB O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@@H](c4ccc(F)cc4)C3)o2)cc1 23057508 RMGGLSQVDCPIQL-QGZVFWFLSA-N 384.367 3.357 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1NC(C)=O 6328254 HXQSTFBQLNBIEN-UHFFFAOYSA-N 399.812 3.016 5 40 GGBB COc1cccc(-n2nnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)c1 4274014 UCGWCIVHOKNQLS-UHFFFAOYSA-N 394.416 3.420 5 40 GGBB O=C(COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1)N1CCCC1 33325112 YEXVJLQVGFHQFX-UHFFFAOYSA-N 394.387 3.313 5 40 GGBB Cc1ccc(C(=O)Nc2ccc(I)cn2)cc1[N+](=O)[O-] 723751 PGNXUSKAJABVEJ-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB COc1ccc(CCCN(C)C(=O)COc2ccccc2[N+](=O)[O-])cc1OC 12679408 ARCAXCFGNXJQHU-UHFFFAOYSA-N 388.420 3.082 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CCCC1=O 25497238 ZOQOZACJQRUIHL-UHFFFAOYSA-N 383.404 3.116 5 40 GGBB Cc1cc(OC[C@H](O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 4700809 POGRXKAFXCHONL-OAHLLOKOSA-N 378.812 3.069 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C(=O)NCC(C)C 223259280 FSJBTNJJIJOUMH-UHFFFAOYSA-N 391.449 3.090 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 5659390 GPVHQOBJYCNFKN-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB COc1ccc(C)cc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 17081666 MFMJBVGWLXLWDC-UHFFFAOYSA-N 399.407 3.322 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1ccc(C(F)(F)F)cc1 9376380 DMSMQDTYFAOQEG-UHFFFAOYSA-N 388.367 3.443 5 40 GGBB COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 78902603 NVKMOXOJZPXIMK-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 6505488 NEACPUZDYOLZFI-UHFFFAOYSA-N 382.829 3.015 5 40 GGBB COCCn1c(SCc2csc([N+](=O)[O-])c2)nnc1-c1ccncc1 54430377 OCCBLKCWZALQHP-UHFFFAOYSA-N 377.451 3.249 5 40 GGBB O=C(OCc1nccn1C(F)F)c1ccc(Br)c([N+](=O)[O-])c1 12507710 BPFPYAMMXQJHHB-UHFFFAOYSA-N 376.113 3.306 5 40 GGBB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 4554900 QHTHMTLKRLPPQE-OAQYLSRUSA-N 398.415 3.211 5 40 GGBB O=C(c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 14225834 DJBSEARLBVSQKS-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C(=O)O)sc(C)c1C 2902733 ZZXZKINXXMUZGZ-UHFFFAOYSA-N 392.389 3.400 5 40 GGBB O=C(NCc1nnc2ccccn12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40143907 DCMUGYGNBQZPSU-UHFFFAOYSA-N 389.371 3.360 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 7323340 UDSKVFKNQROQBO-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 869053 KFXZEIZHYRGORN-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB O=C(Cc1c[nH]c2ccccc12)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 48366897 FKGUJLCTPYZOEP-UHFFFAOYSA-N 392.459 3.006 5 40 GGBB CC1CCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 5845490 HYCAMEQJLWSSDZ-UHFFFAOYSA-N 397.431 3.490 5 40 GGBB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16515603 RWZWSMZPCYQXGY-KRWDZBQOSA-N 394.475 3.085 5 40 GGBB CN(Cc1cnn(-c2ccccc2)c1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 29503855 PNEWZONQSAEUHX-UHFFFAOYSA-N 389.419 3.129 5 40 GGBB Cn1cnnc1SCc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 8704135 UXIFMGSMTISWPG-UHFFFAOYSA-N 384.396 3.494 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N(CCc2ccncc2)c2ccccc2)cc1 1655453 CGJUMJUURPRECD-UHFFFAOYSA-N 383.429 3.428 5 40 GGBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 25325760 QRPOMSBIUJOGQL-HNNXBMFYSA-N 395.868 3.113 5 40 GGBB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1[N+](=O)[O-] 10544573 LJDKAWHUTGXOLQ-CQSZACIVSA-N 380.404 3.500 5 40 GGBB CCn1c(=O)c([N+](=O)[O-])c(N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21 11615320 XELVUTHSEHSFKQ-HNNXBMFYSA-N 381.388 3.037 5 40 GGBB C[C@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 12938307 YAVBWLATGWCLHG-JTQLQIEISA-N 393.852 3.317 5 40 GGBB Nc1ccc(C(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1[N+](=O)[O-] 18215567 SWEQWOKNAPNFRU-UHFFFAOYSA-N 390.443 3.288 5 40 GGBB Cc1csc(Sc2ccc(C(=O)NC[C@@H]3CCCO3)cc2[N+](=O)[O-])n1 13130756 PXUDCXGZMSJKOU-LBPRGKRZSA-N 379.463 3.420 5 40 GGBB CSc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)cc1[N+](=O)[O-] 5425626 SWYVFMWQOFBLDC-UHFFFAOYSA-N 387.417 3.207 5 40 GGBB O=[N+]([O-])c1ccc(Cl)cc1NCCNS(=O)(=O)c1ccc(Cl)cc1 4614051 UZGQLKASORCTQH-UHFFFAOYSA-N 390.248 3.292 5 40 GGBB CN(Cc1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 5897076 GVWKPOSKTMXIPN-UHFFFAOYSA-N 395.506 3.467 5 40 GGBB CCCN1Cc2cccc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])c2C1 95452047 HGLBRZDLUVRHRJ-UHFFFAOYSA-N 389.477 3.305 5 40 GGBB CC(=O)N1[C@@H](c2cccc([N+](=O)[O-])c2)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 1505840752 ZEIFDKDZHIUESW-MJGOQNOKSA-N 379.372 3.023 5 40 GGBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1-c1ccc(Cl)cc1 40399078 SZHURSGXAWELPN-UHFFFAOYSA-N 389.802 3.066 5 40 GGBB O=C(NCCOc1ccc2c(c1)CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4619481 VCBIAZVVZLXSGF-UHFFFAOYSA-N 385.376 3.191 5 40 GGBB CCC[C@@H]1[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2ON1c1ccccc1 102730771 SRVKUUHUJMQTIZ-KZNAEPCWSA-N 381.388 3.073 5 40 GGBB COC(=O)c1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 783606 KDWCZHGKFODXFA-NVNXTCNLSA-N 386.747 3.379 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 24864226 XPDWWDJIAZCJJS-NSHDSACASA-N 390.465 3.487 5 40 GGBB Cc1ccc(C(=O)[C@H]2Sc3nnc(C)n3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 3270756 BQYJONJSXAWBKD-AEFFLSMTSA-N 395.444 3.445 5 40 GGBB O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 108402846 XYXRZNPLIFKLBM-ROUUACIJSA-N 392.367 3.270 5 40 GGBB CCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624430 SKSMVBFCDHXKCX-UHFFFAOYSA-N 385.423 3.497 5 40 GGBB biogenic Cc1cc(OC[C@@H](O)CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl 4700573 OJTHEMUMTHUFEM-AWEZNQCLSA-N 392.839 3.377 5 40 GGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 7183226 MNEWYIGRJXAOMT-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB O=[N+]([O-])c1ccc(Nc2nc(OCC(F)(F)F)nc(N3CCCCC3)n2)cc1 6045263 GSGFCWXEPWISFJ-UHFFFAOYSA-N 398.345 3.455 5 40 GGBB CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 4688299 VVGPCYCJLMRWIG-UHFFFAOYSA-N 398.507 3.500 5 40 GGBB CC1([N+](=O)[O-])COC2(OC1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 4718115 BFCDOJQJHMHDON-UHFFFAOYSA-N 388.807 3.122 5 40 GGBB Cc1ccc(S(=O)(=O)CC(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc1 4776249 JXONKAOHLKIMQK-UHFFFAOYSA-N 398.234 3.322 5 40 GGBB CC(C)COC[C@H](O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 84544432 WNAOAQTVYLHHFI-QGZVFWFLSA-N 387.436 3.102 5 40 GGBB O=C(COCc1ccccc1Cl)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 44614822 FAZOZODUIFARIB-UHFFFAOYSA-N 389.839 3.114 5 40 GGBB COCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 5085963 MPORNNILGKNATE-UHFFFAOYSA-N 378.768 3.190 5 40 GGBB CCOC(=O)[C@]1(C)C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 101024360 KVRILMHUIDSGPC-FQEVSTJZSA-N 381.388 3.259 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)cc1 103149174 JMKYASHNZLWNNN-NCXUSEDFSA-N 394.383 3.362 5 40 GGBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222630147 PNAQKBXUYWWBLV-INIZCTEOSA-N 397.475 3.469 5 40 GGBB Cc1c(NC(=O)Cc2cnc(-c3ccc(Cl)cc3)[nH]c2=O)cccc1[N+](=O)[O-] 19937702 QMEVYROLSMMPRG-UHFFFAOYSA-N 398.806 3.488 5 40 GGBB CCc1ccc(OCCNc2cc(N3CCN[C@@H](C)C3)ccc2[N+](=O)[O-])cc1 4180851 DUCMTCXRNAFIQO-INIZCTEOSA-N 384.480 3.446 5 40 GGBB O=C(OCC(=O)N1CCCCC1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4839903 YPVPYEDIZXETQH-UHFFFAOYSA-N 389.452 3.145 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c(OC)c1 21596074 UZWBDAZCSRLZJI-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB Cc1c(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 8479188 LWUBUTIAIVHCES-UHFFFAOYSA-N 391.449 3.088 5 40 GGBB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408637790 ACINQMDMQNQKCD-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222569796 ITPZVXAEJWRNAU-AMKSKSKJSA-N 386.433 3.293 5 40 GGBB Cc1c(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cccc1[N+](=O)[O-] 47081054 BDFFURLJPWVMAT-UHFFFAOYSA-N 390.399 3.481 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] 8560764 JJPWKYKIIIKUTD-UHFFFAOYSA-N 395.755 3.491 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 24865580 QYZDFGZSNMPPRC-UHFFFAOYSA-N 389.411 3.346 5 40 GGBB Cc1csc(Sc2ccc(C(=O)NC3=NCCS3)cc2[N+](=O)[O-])n1 3454128 JBZIZSRTQNTNEB-UHFFFAOYSA-N 380.476 3.344 5 40 GGBB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccccc1[N+](=O)[O-] 408561365 IJNLSJQWFBXGQT-UHFFFAOYSA-N 379.372 3.464 5 40 GGBB O=[N+]([O-])c1c(Sc2nnc(-c3cccnc3)n2C2CC2)nc2sccn12 9459829 YUDRRYKUODOTQO-UHFFFAOYSA-N 385.434 3.444 5 40 GGBB COC(=O)c1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl 44330280 VEQRVOPCRSTKHI-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 9709603 WZLVWUXBMFNFHR-UHFFFAOYSA-N 384.783 3.489 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 25907827 IUKNJUYXSYCMAB-QWRGUYRKSA-N 375.347 3.253 5 40 GGBB CN(Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 25301850 XHNGEMPKEBVBHU-HXUWFJFHSA-N 399.491 3.457 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 101844800 JMKYASHNZLWNNN-CADBVGFASA-N 394.383 3.362 5 40 GGBB CC(=O)NCCc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 24227797 LPDQFJXLNGGFQO-UHFFFAOYSA-N 376.796 3.189 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc(CN2CCCCC2)cs1 12780565 PWEPNOXRCSJMEM-UHFFFAOYSA-N 376.438 3.055 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)NCCC1=CCCCC1 7079397 PGTQUIMGYXPGID-CYBMUJFWSA-N 376.409 3.155 5 40 GGBB Cc1nc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 408627822 OBGNFTJXFBKLOO-UHFFFAOYSA-N 395.238 3.188 5 40 GGBB CCc1ccc(NC(=O)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)cc1 5400785 HAYQMMULCGXGAW-UHFFFAOYSA-N 378.388 3.020 5 40 GGBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1cccc2ccccc12 7976910 DCFUYOIIQMIDRW-UHFFFAOYSA-N 380.404 3.203 5 40 GGBB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8416531 MFGKZIJOPYTFGC-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB Cn1c(CN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 2352789 OSTVCEOBQOXFPE-UHFFFAOYSA-N 379.420 3.330 5 40 GGBB COc1ccc(CN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C2CC2)cc1 29502631 BLMDLOMYXXBRIO-UHFFFAOYSA-N 379.420 3.484 5 40 GGBB COc1ccc(NC(=O)c2ccc(I)cc2)c([N+](=O)[O-])c1 4679145 BMCLWPFKTMKGRZ-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB O=C(OCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4889860 MFKIXXRZQLTGOZ-UHFFFAOYSA-N 376.796 3.442 5 40 GGBB CCOC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 20456853 MDLWXIKRJSGGLL-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 33423383 FNPWNWZTNPTROW-UHFFFAOYSA-N 398.404 3.477 5 40 GGBB Cn1c(=O)c(NCCC[N+](C)(C)C)c2c3c(cccc31)C(=O)c1ccccc1-2 85408929 JXVNMPZDVGOZMF-UHFFFAOYSA-O 376.480 3.258 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 32853534 KPNBGBVCNFRAPM-INIZCTEOSA-N 375.450 3.381 5 40 GGBB COc1ccc(Cn2c(C(C)C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2439341 UATZLBIQEIIJAW-UHFFFAOYSA-N 389.455 3.429 5 40 GGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])s1 6509533 UXVKYKHDEKZAJX-UHFFFAOYSA-N 395.462 3.083 5 40 GGBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)[C@@H](C)c3ccccc3)cc21 408533376 RYZHRPMSZMPXFU-ZDUSSCGKSA-N 382.420 3.493 5 40 GGBB COc1ccc(NC(=O)CNc2cc(OC)c(Cl)cc2OC)c([N+](=O)[O-])c1 7978898 QJYJTMOOZWDAOC-UHFFFAOYSA-N 395.799 3.325 5 40 GGBB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 408979989 PDLPJCLEPNORFN-HNNXBMFYSA-N 387.392 3.419 5 40 GGBB Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 5022798 WMAGFQBAURQWLJ-UHFFFAOYSA-N 399.432 3.033 5 40 GGBB O=C(N[C@@H]1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4895456 QAQYMISQJBHFMQ-LJQANCHMSA-N 381.432 3.239 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 1327417 NVQXUMCLNCBLOL-UHFFFAOYSA-N 386.433 3.039 5 40 GGBB Cc1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)O 6571312 PYMZWQCWUNZLFI-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=C(c1cccnc1Cl)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6969776 BHKPIWYFRYEGBP-UHFFFAOYSA-N 381.219 3.259 5 40 GGBB COc1ccc(CN(C)C(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1F 24839010 DJBJVNSHGBJEGC-UHFFFAOYSA-N 382.775 3.433 5 40 GGBB O=C(O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1O 20142790 OCHOBKVTZDBSIS-UHFFFAOYSA-N 385.376 3.241 5 40 GGBB COC(=O)C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl 8704632 AQRASUKBOLNWPN-HNNXBMFYSA-N 376.796 3.211 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C)C(=O)N1c2ccccc2C[C@H]1C 7079434 CVSPWNRICBWTNX-CHWSQXEVSA-N 384.388 3.127 5 40 GGBB Cc1c(N(C)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 224736076 SGLSGDJQXALEMW-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB COC(=O)c1cc(C(=O)N(CC2CCCCC2)c2cnccn2)cc([N+](=O)[O-])c1 89404326 JPXOSIPFBXQUDU-UHFFFAOYSA-N 398.419 3.399 5 40 GGBB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1cccc([N+](=O)[O-])c1 5168476 JBTTYWYMUUDQER-UHFFFAOYSA-N 392.400 3.070 5 40 GGBB COc1cc(CN2C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1O 108387020 XVSDSDDONJXPEG-STQMWFEESA-N 395.456 3.139 5 40 GGBB CS(=O)(=O)c1ccc(N[C@@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 58297921 JOQSHOZJVXBIJK-AEFFLSMTSA-N 376.434 3.331 5 40 GGBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 27172927 BKFKAVXKRYVDJJ-KRWDZBQOSA-N 387.461 3.109 5 40 GGBB COCCOc1ccc([C@H](C)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 48373890 XIDHQRZHFKZTKX-AWEZNQCLSA-N 388.420 3.428 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 55012737 GGSZLCXDQPVFMT-LBPRGKRZSA-N 381.797 3.450 5 40 GGBB O=C(CCCc1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 32925024 LLUUSCBCRSZFEC-UHFFFAOYSA-N 393.490 3.025 5 40 GGBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1sccc1Br 42108498 NZGLSHZEEVIYTE-UHFFFAOYSA-N 394.206 3.012 5 40 GGBB CCOc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1[N+](=O)[O-] 24597208 OKPAQEZARLPRQV-UHFFFAOYSA-N 394.387 3.210 5 40 GGBB Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C1=O 5321909 NXBITKVWCJVQEP-HXUWFJFHSA-N 379.372 3.038 5 40 GGBB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 7050243 BUDDJYQOGCSQKD-AWEZNQCLSA-N 386.433 3.128 5 40 GGBB Cc1ccc(-c2nn3c(CCCC(=O)O)nc4ccccc4c3nc2=O)cc1C 32934912 WPZRXPTXRVJKCV-UHFFFAOYSA-N 388.427 3.329 5 40 GGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2)ccc1F 4144646 KDRIIFAEERQJTF-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB Cc1c(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cccc1[N+](=O)[O-] 6418127 ITKKJYVOIWXZPF-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB Cc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1C 2746064 QPKKGMICEZWSNB-UHFFFAOYSA-N 384.392 3.082 5 40 GGBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)c1ccc[nH]1 6235602 ODWMBXIWHDKELY-SECBINFHSA-N 385.298 3.168 5 40 GGBB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 408784411 QVODIWKLIGPKRN-QTQQGTETSA-N 399.428 3.486 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1 15816668 MHTPAHBOTHMOCV-KBPBESRZSA-N 391.468 3.291 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](Nc2ccccc2)C1 84041490 VRHODXJXLMRGPG-MRXNPFEDSA-N 375.450 3.168 5 40 GGBB Cc1ccc2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 3592133 FOBIEIQIWXBBFP-UHFFFAOYSA-N 384.417 3.272 5 40 GGBB O=C(NCc1ccccc1)/C(=C\c1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1 4661570 ZDSILLVJHZDJJY-CPNJWEJPSA-N 391.383 3.275 5 40 GGBB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1Cl 24696167 UKFXXGXAYDUOPM-UHFFFAOYSA-N 388.763 3.091 5 40 GGBB CN(C)c1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-] 9920333 GOFPWKYGHYULFO-UHFFFAOYSA-N 382.464 3.187 5 40 GGBB COc1ccc(C[C@]2(C)OC(c3ccc(C)c([N+](=O)[O-])c3)=NN2C(C)=O)cc1 1313219 LAOLHNJKEZIXNU-FQEVSTJZSA-N 383.404 3.411 5 40 GGBB COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c3cccnc13)C[C@H]2O 12757070 VAWKWMIUPCMORQ-MRXNPFEDSA-N 381.388 3.214 5 40 GGBB C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 5505864 SICYPEMSCLGOSG-LLVKDONJSA-N 376.390 3.190 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(C(=S)NCCCc3ccccc3)CC2)cc1 408585048 BESZYQOTKNJTSF-UHFFFAOYSA-N 384.505 3.224 5 40 GGBB CCOc1ccc(N2C(=O)/C(=C\N(C)C)c3ccccc3C2=O)c([N+](=O)[O-])c1 5475237 NRKNGSDLNJMGAX-VBKFSLOCSA-N 381.388 3.083 5 40 GGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)NC(=O)CO2 40081429 OMZCLZBLDKTLMK-SECBINFHSA-N 375.768 3.070 5 40 GGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nnc(-c3cccnc3)o2)c([N+](=O)[O-])c1 101474199 NTMQDKLAIHOBNY-UHFFFAOYSA-N 390.293 3.007 5 40 GGBB O=C(/N=c1\[nH]c2ccccc2n1CCN1CCCCC1)c1ccc([N+](=O)[O-])cc1 28221470 IBMKANFHVDHPRD-UHFFFAOYSA-N 393.447 3.105 5 40 GGBB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)CC(=O)O2 524734573 RVFKNAURQXVVIG-ZDUSSCGKSA-N 380.356 3.303 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)S(C)(=O)=O)cc1Cl 222515665 PINORCKLLPUYKW-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB CCOC(=O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)[C@@H](C)CC 98009176 YUYJXXQLXATUFW-ADVUTCEVSA-N 375.830 3.366 5 40 GGBB O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(OCC(F)(F)F)c1 2764519 BZJSKAGFOBFVLV-UHFFFAOYSA-N 394.302 3.476 5 40 GGBB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 24776430 LYCLLUILPHEKEX-AWEZNQCLSA-N 392.433 3.138 5 40 GGBB Cc1nn(CC(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 3393477 ZRLGYJQODMMTOB-ZDUSSCGKSA-N 384.392 3.012 5 40 GGBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(C[C@@H]3CCCO3)cnc21 2251749 LIYCPAGCKWWAOF-AWEZNQCLSA-N 377.448 3.274 5 40 GGBB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc([N+](=O)[O-])cc1 71980431 MQPZUULEJVHATM-FXUPRZHBSA-N 390.436 3.453 5 40 GGBB CNc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1[N+](=O)[O-] 14400683 BYGMJIHJWODRPD-KRWDZBQOSA-N 383.383 3.029 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccccc2F)c1 7594284 UVDKSRSRBNKTCD-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 100495866 XBEZJXZCKPJBDH-UHFFFAOYSA-N 376.281 3.062 5 40 GGBB COc1ccccc1C(=O)Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl 72229541 WLMAHJGQQOKNEL-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB CN(C)c1ccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1[N+](=O)[O-] 30128913 HBOZEIILAXTYHC-UHFFFAOYSA-N 382.420 3.036 5 40 GGBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc([N+](=O)[O-])o1 17077145 IDJXRHKCEVSBHT-UHFFFAOYSA-N 377.312 3.241 5 40 GGBB CCNc1ccc(C(=O)N(CCC(=O)OCC)c2ccccn2)cc1[N+](=O)[O-] 77028653 LAXHIELHMGBXNQ-UHFFFAOYSA-N 386.408 3.022 5 40 GGBB CN(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl 6557946 AGIISVNUUDMIQY-UHFFFAOYSA-N 391.811 3.105 5 40 GGBB CN(C)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 27676123 QQTAXWUHKOZJHE-KRWDZBQOSA-N 388.493 3.289 5 40 GGBB O=[N+]([O-])c1ccc2cnn(C[C@@H](O)COc3cccc(Br)c3)c2c1 12751462 CQGDBSZMJLGCSU-CQSZACIVSA-N 392.209 3.147 5 40 GGBB O=[n+]1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)n(O)c2ccccc21 25576425 DSGBCWDOZBJNPW-UHFFFAOYSA-N 381.375 3.433 5 40 GGBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 225872434 YLWAAISYOJKNFX-UHFFFAOYSA-N 385.420 3.466 5 40 GGBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 5634768 JXONASYHERVESR-GFCCVEGCSA-N 385.376 3.046 5 40 GGBB CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@@H]41 13374560 JWPAJVNQGTWPMI-MQJDWESPSA-N 396.395 3.407 5 40 GGBB biogenic,in-vitro C[C@@]12C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)N1CCc1c2[nH]c2ccccc12 9360322 WFGMSBVXMGZQPD-HXUWFJFHSA-N 376.372 3.316 5 40 GGBB biogenic CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccccc1F 31247706 RDNYZCLTRMUBLD-UHFFFAOYSA-N 375.400 3.389 5 40 GGBB CC[C@@H]1c2ccsc2CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 32781351 YZQSZRVVHWYZDD-MRXNPFEDSA-N 387.461 3.312 5 40 GGBB O=C(CN1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 724205 YDRINQAECFDOGY-QGZVFWFLSA-N 393.321 3.247 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2ncc(Br)cn2n1 2791996 RRHIBFLHQUPWCZ-UHFFFAOYSA-N 396.588 3.306 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1-n1nnc2ccccc21 6858701 KEOJAEPMZQOKPI-UHFFFAOYSA-N 395.400 3.130 5 40 GGBB aggregator COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 7928085 QVRBXRRXFCGLOV-CQSZACIVSA-N 383.404 3.212 5 40 GGBB CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 13669410 MLUDEYNKBBZZRV-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB CCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 20611744 ZYNVZBSEHKXHDT-UHFFFAOYSA-N 385.420 3.473 5 40 GGBB Cc1cccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1[N+](=O)[O-] 22296947 LECWJRNUZLOSCE-CHWSQXEVSA-N 390.465 3.221 5 40 GGBB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 35948779 FWIFDFYRAIFWKK-KRWDZBQOSA-N 389.408 3.194 5 40 GGBB COc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c2ccccc12 41095981 BYGNEEVYCNKHGH-UHFFFAOYSA-N 383.385 3.343 5 40 GGBB O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409076381 ATPXUGKPZQVAJW-UHFFFAOYSA-N 389.358 3.364 5 40 GGBB COc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1[N+](=O)[O-] 8778204 ZIFHFENJZOMSRN-UHFFFAOYSA-N 380.397 3.096 5 40 GGBB CCCOc1ccc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c2ccccc12 19943357 XPOQIAQZXWWUSI-UHFFFAOYSA-N 375.406 3.279 5 40 GGBB O=C(NCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 32796537 IPDCSDDNFUDJBZ-UHFFFAOYSA-N 389.411 3.457 5 40 GGBB Cc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 32978714 ZSYZMBGPEQQTAD-INIZCTEOSA-N 382.464 3.146 5 40 GGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[nH]nc1-c1ccc(Cl)cc1 10085135 XFACDUYASFUUNX-UHFFFAOYSA-N 385.811 3.480 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 20461684 PIXNMPMMJBTMOH-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)c1c[nH]c2ccccc12 24886259 DRKMULVEUFNSQR-JTQLQIEISA-N 382.328 3.233 5 40 GGBB C[C@@H](C1CC1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 25057541 QERBGEDEULWDIR-AWEZNQCLSA-N 381.498 3.394 5 40 GGBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(NC[C@@H]3CCCO3)nc21 28629300 PUTNSKCJDGPSDZ-AWEZNQCLSA-N 383.412 3.089 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCSCC1 58406707 AZZIVDQBYXGUPW-UHFFFAOYSA-N 399.538 3.103 5 40 GGBB O=[N+]([O-])c1cccc(-c2noc(CN(Cc3cccnc3)C[C@@H]3CCCO3)n2)c1 69742157 FAUZSOGRAVUQIL-SFHVURJKSA-N 395.419 3.221 5 40 GGBB CCCc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 224154499 VBZZNOLVYAVVEY-UHFFFAOYSA-N 378.450 3.213 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1[N+](=O)[O-] 224579501 MPQLDPDIGKEPEK-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB C[C@@H]1CN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 8055140 COOMPLAGABFUAQ-ZIAGYGMSSA-N 391.449 3.009 5 40 GGBB O=[N+]([O-])c1ccc(Sc2n[nH]c(COc3ccccc3F)n2)c([N+](=O)[O-])c1 409385043 IFMGUYHWKSOWOH-UHFFFAOYSA-N 391.340 3.490 5 40 GGBB O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc13)N2 4624796 IFZAWEKZSNHMTF-INIZCTEOSA-N 386.367 3.362 5 40 GGBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 6238400 DZEMKAOEGFHAIB-UHFFFAOYSA-N 392.824 3.333 5 40 GGBB CCCn1/c(=N/C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[nH]c2ccccc21 9884102 UFZWTULQKVROCD-UHFFFAOYSA-N 384.392 3.046 5 40 GGBB O=C(NCc1cc(Br)cs1)c1cc2c(cc1[N+](=O)[O-])OCCO2 84338613 YLWBDDSPYSNGOA-UHFFFAOYSA-N 399.222 3.120 5 40 GGBB Cc1ccc(-c2nn(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(=S)o2)cc1 409155907 DZQGNKLGXOTJGB-UHFFFAOYSA-N 386.389 3.434 5 40 GGBB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 225707261 GYLOPKKDTMKYRP-UHFFFAOYSA-N 393.446 3.353 5 40 GGBB CCOC(=O)[C@@]1(C)C=C(Nc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 101024363 KVRILMHUIDSGPC-HXUWFJFHSA-N 381.388 3.259 5 40 GGBB O=C(OCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1609803 ICIXGKLFLPIZAO-UHFFFAOYSA-N 388.332 3.297 5 40 GGBB O=[N+]([O-])c1cccc(-c2nnc3c4cnn(-c5ccc(F)cc5)c4ncn23)c1 5139301 WUNRGDUFIFKUMJ-UHFFFAOYSA-N 375.323 3.178 5 40 GGBB Cc1cc2c(cc1Cl)SC(NNc1ccc([N+](=O)[O-])cc1)=NS2(=O)=O 5856306 OYSJSPVELGTYQZ-UHFFFAOYSA-N 398.853 3.324 5 40 GGBB COc1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1OC 9350956 RCMSIFXUAASOBT-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB CCCNc1nnc(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)s1 17886039 ZDQQVSPFSODHSM-VIFPVBQESA-N 397.482 3.396 5 40 GGBB CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35291369 GBOSLFQCULFTPD-IBGZPJMESA-N 399.499 3.360 5 40 GGBB CC(C)C[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101075235 OQTSTRMAGBTNRN-QYZOEREBSA-N 395.415 3.319 5 40 GGBB O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 103537910 PYDDQXICUXKDFK-HKUYNNGSSA-N 387.351 3.041 5 40 GGBB Cc1cc(C)c(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 225086408 VYDRIXQUYRUOQR-UHFFFAOYSA-N 392.433 3.108 5 40 GGBB CCc1ccc(-c2nn3c(SCC(=O)O)nc4ccccc4c3nc2=O)cc1 585157929 ODXCIGVSWBPOGF-UHFFFAOYSA-N 392.440 3.044 5 40 GGBB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1505840753 ZEIFDKDZHIUESW-PKOBYXMFSA-N 379.372 3.023 5 40 GGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2C)cc1 8637966 PHTNQFZWSBRVIG-CQSZACIVSA-N 396.403 3.007 5 40 GGBB COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])OCC2 12419708 APZLMHXLAPMOOQ-IBGZPJMESA-N 375.377 3.291 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F 6349452 WEUZEUGJUBQCTD-INIZCTEOSA-N 386.335 3.197 5 40 GGBB CCN(CC)S(=O)(=O)c1cc2c(=O)c3cc(OC)ccc3[nH]c2cc1Cl 5398221 MJLVNKMPVDZJIU-UHFFFAOYSA-N 394.880 3.374 5 40 GGBB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 5427655 IXOWCRFZRRSUTC-WBMJQRKESA-N 378.392 3.232 5 40 GGBB CC(C)N(C(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C 4839973 QAYCMJMFSZNFEW-UHFFFAOYSA-N 391.468 3.387 5 40 GGBB Cc1cc(C)c(NC(=O)CN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 8202674 WWNTWPTXRXALSA-UHFFFAOYSA-N 399.447 3.457 5 40 GGBB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])[nH]2)c(OC)c1 69455209 GMBNHXIZDPPIHW-JXMROGBWSA-N 395.375 3.049 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)O)C2=O)o1 409123433 GGFSSCCZWQTIQZ-AUWJEWJLSA-N 388.357 3.284 5 40 GGBB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 12526933 MGIPIMUNCCUZGC-QGZVFWFLSA-N 394.475 3.085 5 40 GGBB COc1cc2nc(CN(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC 49581067 YCRSYFQMOLQUPG-LBPRGKRZSA-N 398.419 3.042 5 40 GGBB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1C[C@@H]1[N+](=O)[O-] 65550088 AUOHDGYPOJVBSW-OLZOCXBDSA-N 378.182 3.240 5 40 GGBB CC(=O)c1cc([N+](=O)[O-])ccc1N1C(=O)C(=O)c2cc(Br)ccc21 408582177 MINOTJXTRRGZHE-UHFFFAOYSA-N 389.161 3.421 5 40 GGBB COc1cc(CCNC(=O)COc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 11081240 QPZSLHQKDYFBGP-UHFFFAOYSA-N 394.811 3.003 5 40 GGBB C[C@@H](c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1 2731366 HGSPSNGQJFYVLT-LBPRGKRZSA-N 396.436 3.241 5 40 GGBB COc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c(OC)c1OC 4509406 VTQSRQGCWXWUQJ-ZROIWOOFSA-N 398.371 3.274 5 40 GGBB O=C(CSc1nccc(O)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408544390 HYHNPBGOBVWXIB-UHFFFAOYSA-N 375.193 3.128 5 40 GGBB CNS(=O)(=O)c1ccc(NCC2(c3ccccc3)CCC2)c([N+](=O)[O-])c1 10037753 OFFFPIWVTVOBMY-UHFFFAOYSA-N 375.450 3.037 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 1467352 FADNSWIRSAZJLU-SFHVURJKSA-N 390.403 3.422 5 40 GGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2)CC1 57406068 LUMJZHOCKKCZJD-AWEZNQCLSA-N 388.855 3.397 5 40 GGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCCO2 408624469 UKNLYBHBEWNVLE-UHFFFAOYSA-N 393.808 3.146 5 40 GGBB CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 40145516 GEHFKLYTNUUSNR-UHFFFAOYSA-N 397.479 3.054 5 40 GGBB CCOC(=O)C1CCN(c2ncnc(Nc3ccccc3F)c2[N+](=O)[O-])CC1 40618763 GEZNIHVTVCTWLO-UHFFFAOYSA-N 389.387 3.047 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1 4358204 RDVLOTSAOULYCK-INIZCTEOSA-N 379.294 3.204 5 40 GGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(O)cc1 3158525 PJGIJGCNJYIPSD-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)[nH]2)c([N+](=O)[O-])c1 10475600 HZVBNLZTAFJNKY-UHFFFAOYSA-N 383.433 3.343 5 40 GGBB C[C@@H](C(=O)NC1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 58282564 NGSVBRFJMPVDEC-NSHDSACASA-N 396.285 3.163 5 40 GGBB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 6052557 VZMIPFQRPINVTB-SFHVURJKSA-N 396.403 3.260 5 40 GGBB CCc1ccc(C(=O)N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 24744387 LDDTVUHPLVHKKV-UHFFFAOYSA-N 382.420 3.147 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCc2ccccc21 8148124 MJVDZMYKTZFNRP-UHFFFAOYSA-N 387.461 3.464 5 40 GGBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(CO)CC2)c([N+](=O)[O-])c1 52807628 QTGCFXFGBNDIDX-FQEVSTJZSA-N 383.448 3.287 5 40 GGBB O=C(Nc1ccccc1N1CCOCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122618 NTWRQMOAFRUHNS-UHFFFAOYSA-N 396.447 3.284 5 40 GGBB CS(=O)(=O)NCCCSc1nc2ccccc2c2nc3ccccc3n12 65606807 DXOKKEORTFEIQV-UHFFFAOYSA-N 386.502 3.067 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)Nc2nccs2)cc1 4599923 IOQQBRBUIIZKBQ-UHFFFAOYSA-N 382.401 3.485 5 40 GGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@H](O)c1ccccc1 6658769 KODBWLVFBJASAK-FQEVSTJZSA-N 389.407 3.175 5 40 GGBB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410793 QJHQFRDYRXFJHH-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB C[C@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4276701 CLKZLLNJWMMNOU-JTQLQIEISA-N 395.824 3.174 5 40 GGBB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 7881661 VDHXLVWYYBLPBJ-YJBOKZPZSA-N 396.399 3.152 5 40 GGBB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5007296 NQXDDNJRNAROKU-UHFFFAOYSA-N 399.432 3.223 5 40 GGBB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 4822122 SLYFIKSBOWTJQM-VUSFMPOISA-N 382.416 3.289 5 40 GGBB CCC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 3204389 GHBGVJFPZCWYHG-YLJYHZDGSA-N 393.399 3.413 5 40 GGBB COc1ccc(OCCNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 7815819 FXWJGQNWZUNOEF-CYBMUJFWSA-N 376.434 3.279 5 40 GGBB COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccccc1 33862358 NXSGBDVGMUZFEP-VQHVLOKHSA-N 395.371 3.142 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 25907816 IUKNJUYXSYCMAB-MNOVXSKESA-N 375.347 3.253 5 40 GGBB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccccc1[N+](=O)[O-] 4610591 IHXGTIFWYCEZCH-SXGWCWSVSA-N 385.401 3.321 5 40 GGBB CCS(=O)(=O)c1cccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 5241288 AKZJEHNDIOSJJP-UHFFFAOYSA-N 391.430 3.250 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(Cl)c2c(c1)OCCO2 27800534 ZQWMOBSRSDCJDP-UHFFFAOYSA-N 379.752 3.385 5 40 GGBB COCCCn1c(-c2ccc(OC)cc2)nc2oc3ccccc3c(=O)c2c1=O 2205592 SAGPIIBVJSHPBX-UHFFFAOYSA-N 392.411 3.215 5 40 GGBB Cc1c(-c2cc(-c3cnn(C)c3C)n(Cc3ccc([N+](=O)[O-])cc3)n2)cnn1C 36611613 GXIBHBGOIXWGHW-UHFFFAOYSA-N 391.435 3.257 5 40 GGBB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9219397 IXNLTMNQGOUOSP-INIZCTEOSA-N 394.383 3.369 5 40 GGBB Cc1c(O[C@H](C)C(=O)NCCCN(C)C)ccc2c1oc(=O)c1ccccc12 6660224 QSIMXIXDKYMFDO-OAHLLOKOSA-N 382.460 3.090 5 40 GGBB CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)cc1C 24788411 ISUXZLGCWWFLEF-UHFFFAOYSA-N 378.406 3.467 5 40 GGBB O=[N+]([O-])c1ccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)cc1 2711548 CQXIKIQNWOURAU-UHFFFAOYSA-N 395.437 3.028 5 40 GGBB CCNc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1[N+](=O)[O-] 32830641 SKLGJCZVDZHHDV-SFHVURJKSA-N 379.420 3.280 5 40 GGBB COc1ccc(CC(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280381 PRYBKAJFMKIXDT-IBGZPJMESA-N 398.479 3.308 5 40 GGBB biogenic O=C(Nc1ccc(Cl)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24813059 PNRUUOJAWPDRNH-UHFFFAOYSA-N 379.775 3.476 5 40 GGBB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 7813604 IOFQNYZGKUHQET-SNVBAGLBSA-N 395.462 3.276 5 40 GGBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(C)n1Cc1ccc(F)cc1 5823109 OYDYQFJAUBWIPB-UHFFFAOYSA-N 383.379 3.245 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)CNC(=S)Nc2ccc(OC(F)F)cc2)cc1 6332203 QYJVXRZZKLYMEL-CQSZACIVSA-N 383.376 3.216 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(Br)cc1 5681111 BBNDYBIRWWUILC-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 40058670 QDWYYUCOALSOKU-UHFFFAOYSA-N 396.375 3.160 5 40 GGBB NC(=S)Nc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17078690 IHOUVTGNHJBRST-UHFFFAOYSA-N 385.449 3.103 5 40 GGBB O=[N+]([O-])c1ccc(-c2nnc(CN3CCO[C@H](c4ccc(F)cc4)C3)o2)cc1 23057507 RMGGLSQVDCPIQL-KRWDZBQOSA-N 384.367 3.357 5 40 GGBB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 5354323 MRERFIQQXHYFFV-UHFFFAOYSA-N 382.376 3.316 5 40 GGBB Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc(C(=O)O)c1O 20142744 AEVSSNRTPHWRAV-UHFFFAOYSA-N 385.376 3.160 5 40 GGBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(Cl)cc1 7509245 MAYTXVQXMRDHQN-JTQLQIEISA-N 391.763 3.448 5 40 GGBB COC(=O)c1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1Cl 225089654 XKGDIVJWQKXJCG-UHFFFAOYSA-N 398.824 3.168 5 40 GGBB CC(=O)c1ccc(NC2CCN(CC3(O)CCCCC3)CC2)c([N+](=O)[O-])c1 95443246 IMKADSZMALOYSH-UHFFFAOYSA-N 375.469 3.369 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)c1cccc([N+](=O)[O-])c1)N(C)CC3)OCO2 20112693 MUKWFEHXGUOSQQ-HNNXBMFYSA-N 384.388 3.134 5 40 GGBB biogenic Cc1cc(=O)c(C(=O)N2CCC[C@H]3CCCC[C@@H]32)nn1-c1ccccc1[N+](=O)[O-] 21901821 OUNGPDSVPGKXAD-CVEARBPZSA-N 396.447 3.244 5 40 GGBB CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 20611859 IMZZKXJGRJPZSO-UHFFFAOYSA-N 385.420 3.011 5 40 GGBB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 408638294 QXHXQMWGJFZHNQ-CRAIPNDOSA-N 396.399 3.152 5 40 GGBB CCc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N(C)C)cc1 7979769 SAMZVMWJWJPUIH-LJQANCHMSA-N 391.493 3.276 5 40 GGBB COc1cc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c([N+](=O)[O-])cc1OC 40155230 TVNITZVJRVRWKY-UHFFFAOYSA-N 387.392 3.003 5 40 GGBB COc1cc(OC)cc(-c2nnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)o2)c1 4276124 HATPKHPMKJOAKB-VOTSOKGWSA-N 396.359 3.314 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc(F)c2)c1=O 5268841 YHCJNYAVQDQHBA-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB C[C@@H](NC(=O)c1ccccc1Cn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)OCO2 2794314 KHOJTUPLTBXDMC-CYBMUJFWSA-N 394.387 3.059 5 40 GGBB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(Cl)cc1[N+](=O)[O-] 5112955 SYEJRBLOZCNSIL-UHFFFAOYSA-N 387.779 3.042 5 40 GGBB CCCCC[C@@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 4600872 WORCYIYHCAMEQJ-SWLSCSKDSA-N 393.465 3.310 5 40 GGBB CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 18155059 OQTSTRMAGBTNRN-QRVBRYPASA-N 395.415 3.319 5 40 GGBB COc1c2c(cc3c1[C@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 12661168 NDEKLSGDZJXAAG-IXDOHACOSA-N 392.516 3.054 5 40 GGBB biogenic Cc1c(NC(=O)CN2CCN(c3ccccc3Cl)CC2)cccc1[N+](=O)[O-] 13056404 JKNSMPUHRQIQFQ-UHFFFAOYSA-N 388.855 3.317 5 40 GGBB COc1ccc([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2187041 KCMUVORUBFBSIM-KRWDZBQOSA-N 389.389 3.399 5 40 GGBB Cc1cccc(N2CCN(c3ccc(C(=O)NC(C)C)cc3[N+](=O)[O-])CC2)c1 32869671 QAZOQJBXXIETIM-UHFFFAOYSA-N 382.464 3.368 5 40 GGBB COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(OC)cc1Cl 1909367 GXYPORXZBHARSR-UHFFFAOYSA-N 381.728 3.426 5 40 GGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ncc(Cl)cc1Cl 3256915 HXAJJEOGQVXMGJ-ZZXKWVIFSA-N 396.186 3.492 5 40 GGBB C[C@H](Sc1n[nH]c2nc3ccccc3n12)C(=O)Nc1cccc([N+](=O)[O-])c1 6506285 IOSWDOGFORSFLG-JTQLQIEISA-N 382.405 3.238 5 40 GGBB CSc1ccc(CN(C)C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 6652745 ZRGJLBQQTNVFBO-UHFFFAOYSA-N 387.461 3.095 5 40 GGBB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409145777 RTDAXFVFEZUGLM-WFASDCNBSA-N 389.481 3.177 5 40 GGBB COc1cc(OCC(=O)NCCOc2ccc(C)c(Cl)c2)ccc1[N+](=O)[O-] 224171887 ZYHVMVPYXUMQKF-UHFFFAOYSA-N 394.811 3.139 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNC2=NC=N[C@@H]3SC=C(c4ccccc4)[C@@H]23)cc1 96035801 WMVAHRNVLNIZOC-CMKODMSKSA-N 394.456 3.388 5 40 GGBB CC(C)[C@@H](C)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 106538881 BZTUWMDCCYHPHH-LSDHHAIUSA-N 391.468 3.149 5 40 GGBB O=C(CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 40154017 FHCOMTVLGFBNHG-UHFFFAOYSA-N 396.447 3.082 5 40 GGBB Cc1c(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cccc1[N+](=O)[O-] 4225192 GGAYNTYPTOUGOE-UHFFFAOYSA-N 379.416 3.334 5 40 GGBB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154365 FGUXEZWYKBHHNF-FPYGCLRLSA-N 386.839 3.310 5 40 GGBB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)Nc1ccc([N+](=O)[O-])cc1 40150070 ODBGVRCOJPLNBH-QGZVFWFLSA-N 399.451 3.053 5 40 GGBB CNc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] 102095839 GMGNBFTYHCMDMJ-UHFFFAOYSA-N 375.297 3.014 5 40 GGBB CCOc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1[N+](=O)[O-] 21595915 VSUSELSLWLJUFB-UHFFFAOYSA-N 380.813 3.169 5 40 GGBB CCN(CC)C(=O)c1cccc(NC(=O)CSc2ncccc2[N+](=O)[O-])c1 48302468 NBYGWRXHXCFBME-UHFFFAOYSA-N 388.449 3.203 5 40 GGBB COc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] 12806885 OKVLQHZAQZHQSS-UHFFFAOYSA-N 392.795 3.001 5 40 GGBB C[C@@H](OCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 95428029 ZZVNETZYAPVKHI-MRXNPFEDSA-N 392.477 3.225 5 40 GGBB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 48302510 UZCKWTQVKCEHCF-CYBMUJFWSA-N 397.460 3.328 5 40 GGBB Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc([N+](=O)[O-])cc3)n2)c1 15674385 SMQBDXGOXVNMKU-MSOLQXFVSA-N 380.404 3.261 5 40 GGBB biogenic,in-vitro Cc1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 3073482 OLRDUNLBOJCYLU-JLHYYAGUSA-N 378.388 3.045 5 40 GGBB CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5071522 LSGXXGLHXNPQHT-DIFFPNOSSA-N 382.800 3.078 5 40 GGBB O=C(C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21)c1cccc([N+](=O)[O-])c1 5196251 RTCHOVNXKJQADF-MRXNPFEDSA-N 381.171 3.314 5 40 GGBB Cc1cc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)ccc1[N+](=O)[O-] 6826113 IUPBAPSDYGMHDN-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1cc(=O)n2ccsc2n1 8036590 WCPBLFDUBJYVDR-DUXPYHPUSA-N 391.792 3.074 5 40 GGBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])c1 12910636 DWBKTRIMXJARNG-INIZCTEOSA-N 386.404 3.355 5 40 GGBB Cc1cccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)c1[N+](=O)[O-] 22296948 LECWJRNUZLOSCE-BETUJISGSA-N 390.465 3.221 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc2c(cc1Br)OCCO2 24945452 HBHFSJIHOVGZPS-UHFFFAOYSA-N 393.193 3.310 5 40 GGBB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])c1 102244945 VGXWRPBLTWGUTF-CQSZACIVSA-N 387.417 3.069 5 40 GGBB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113874476 GJRUNUVHJDQBKW-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 20493612 OEAHWGTUPQNSAO-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB Cc1cccc(OCCNC(=O)Cn2cnc3cc4ccccc4cc3c2=O)c1 24324740 QZQLDHRQBRVJDZ-UHFFFAOYSA-N 387.439 3.053 5 40 GGBB CC(C)[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)OCCO2 24750004 WIGRZJOIAXMKIR-SFHVURJKSA-N 396.403 3.369 5 40 GGBB COc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1OC 15167440 LWOWZNHOKAITJT-UHFFFAOYSA-N 377.353 3.165 5 40 GGBB COc1ccccc1N1CCN(Cc2cc([N+](=O)[O-])c(O)c3ncccc23)CC1 4498679 GPCANSSSEPEFNM-UHFFFAOYSA-N 394.431 3.179 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccco2)c1 33101969 QTIDFGMZTZLVSE-UHFFFAOYSA-N 395.371 3.135 5 40 GGBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 6306570 KPQLBKUWFAGVFA-UHFFFAOYSA-N 396.447 3.152 5 40 GGBB Cc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] 6574653 DYMNAVCDEHTETB-UHFFFAOYSA-N 397.172 3.464 5 40 GGBB Cc1nccn1C[C@H](C)CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 54620089 CMIHUDSKZGXANO-MRXNPFEDSA-N 388.471 3.112 5 40 GGBB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 20144886 DMHKTZSJICOHBJ-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1O 409411517 IGZHEYUEWRORAU-UHFFFAOYSA-N 399.432 3.310 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(-c2ccc(Cl)cc2)no1 22713125 ISKKADAVSAQSTG-UHFFFAOYSA-N 384.735 3.094 5 40 GGBB CCOC(=O)N1CCN(C(=S)Nc2cc3cccnc3c3ncccc23)CC1 104373193 SNBBMPREISIINP-UHFFFAOYSA-N 395.488 3.254 5 40 GGBB O=[N+]([O-])c1ccccc1OCCSc1nnc(N2CCCC2)n1C1CC1 53681485 GDIBZFZLGJPRMO-UHFFFAOYSA-N 375.454 3.293 5 40 GGBB COc1ccccc1CC(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 2098493 OWCHDURVQDTYDD-SFHVURJKSA-N 398.479 3.308 5 40 GGBB biogenic COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)N(C)C 12748289 IIBPZOMYPLJJEO-INIZCTEOSA-N 377.828 3.290 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)NC2CCCCCC2)cc1[N+](=O)[O-] 13140825 SLCWJQRCCBLRBL-UHFFFAOYSA-N 375.454 3.327 5 40 GGBB CN(C)c1ccc(C(=O)OCc2c(Cl)nc3sccn23)cc1[N+](=O)[O-] 39983288 BUIFRBVBDGXATC-UHFFFAOYSA-N 380.813 3.380 5 40 GGBB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] 65550093 AUOHDGYPOJVBSW-CHWSQXEVSA-N 378.182 3.240 5 40 GGBB COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9219396 IXNLTMNQGOUOSP-MRXNPFEDSA-N 394.383 3.369 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](n2ccnc2)Cc2ccccc21 95961699 YNQVVZIJYZBAFY-MRXNPFEDSA-N 398.444 3.092 5 40 GGBB Cn1cc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 67095406 UIYINOTZJPZNHP-AEFFLSMTSA-N 380.379 3.420 5 40 GGBB CCC[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 18024261 ZKKIRCDRNCNLIV-KSZLIROESA-N 381.388 3.073 5 40 GGBB CCOC(=O)C[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)cc1 3622607 IAOKNUOHQVCTFZ-QGZVFWFLSA-N 386.404 3.336 5 40 GGBB O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2cc[nH]c2c1 13577003 ILXOXNBPSWZNSJ-UHFFFAOYSA-N 395.371 3.221 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)COCc3ccc(Cl)cc3)n2)cc1 32814855 ZODUHYVGJIEETR-QGZVFWFLSA-N 388.811 3.084 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 24864220 XPDWWDJIAZCJJS-LLVKDONJSA-N 390.465 3.487 5 40 GGBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)c1ccccc1 27172922 BKFKAVXKRYVDJJ-QGZVFWFLSA-N 387.461 3.109 5 40 GGBB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5071523 LSGXXGLHXNPQHT-PIGZYNQJSA-N 382.800 3.078 5 40 GGBB COc1cc(CNC(=O)COc2ccc(C)cc2[N+](=O)[O-])ccc1OC(F)F 8506289 TVSWCWQHJCPEPT-UHFFFAOYSA-N 396.346 3.208 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 72301044 CJWTUDYBXPTMNY-UHFFFAOYSA-N 376.312 3.428 5 40 GGBB NS(=O)(=O)c1ccc(N2CCC(=Cc3cccc(F)c3)CC2)c([N+](=O)[O-])c1 40135322 GOSIVRLRZJDIBZ-UHFFFAOYSA-N 391.424 3.065 5 40 GGBB COc1ccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 223408449 CVUGTSBRTTWRNV-UHFFFAOYSA-N 376.434 3.032 5 40 GGBB Nn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 226299804 BCEWVPGJCQFXTR-UHFFFAOYSA-N 375.841 3.437 5 40 GGBB O=C(Nc1ccc(N2CCCC2)nc1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31264842 PHLDZDODMIEZIQ-UHFFFAOYSA-N 378.392 3.028 5 40 GGBB CN1CCCN(Cc2ccc(CNC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 58168710 BJIRZJIBJGKDTL-UHFFFAOYSA-N 397.479 3.054 5 40 GGBB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc([N+](=O)[O-])cc1 5072138 SSGUSVSCDWPACS-UHFFFAOYSA-N 383.364 3.156 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cc1[N+](=O)[O-] 5127152 QUFJTIJOLOEDRQ-UHFFFAOYSA-N 379.419 3.322 5 40 GGBB O=C1c2ccccc2[C@@](O)(Cc2ccccc2)N1Nc1ccc([N+](=O)[O-])cc1 4553029 LDLNYBUYQOMGNO-NRFANRHFSA-N 375.384 3.466 5 40 GGBB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] 408628931 YIEPXMIULYIRQM-UHFFFAOYSA-N 383.385 3.136 5 40 GGBB COc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1[N+](=O)[O-] 408603991 CLXJEKLHKYWTLQ-LJQANCHMSA-N 395.459 3.266 5 40 GGBB Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)cc1 225518477 VFHWZCLXDLSAPG-QGZVFWFLSA-N 397.475 3.388 5 40 GGBB O=C(NC1(c2ccccc2)CCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 53472952 BBNMWGQHEQDQKJ-UHFFFAOYSA-N 381.432 3.241 5 40 GGBB Cc1ccc(NC(=O)CN2CCN(c3ccccc3Cl)CC2)cc1[N+](=O)[O-] 13056396 RRBQLCOSFMWIEX-UHFFFAOYSA-N 388.855 3.317 5 40 GGBB Cc1ccccc1Oc1cc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)cc([N+](=O)[O-])c1 6925136 KABZEXOEDWBXCZ-QGFMHUBQSA-N 394.383 3.362 5 40 GGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7881392 USHYWGHWXXOAHH-GOEBONIOSA-N 396.399 3.071 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 57674817 SUSIVRBGCIWNQM-HNNXBMFYSA-N 386.427 3.192 5 40 GGBB COCCCn1c(-c2ccc(C)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2364373 CVMMDZBQSNDVCQ-UHFFFAOYSA-N 389.455 3.260 5 40 GGBB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 7256891 LCJDGWOCMWENJT-UHFFFAOYSA-N 387.484 3.225 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(N2CCOCC2)CCCCC1 95945711 HCSCHHLSRJQQEU-UHFFFAOYSA-N 376.457 3.060 5 40 GGBB COc1ccc(C(=O)Nc2cc(N3CCOCC3)c([N+](=O)[O-])cc2Cl)cc1 72229581 FPEUFECKGYGTQS-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2cccc(Br)c2)cc1[N+](=O)[O-] 224768755 HOTHLALWIBRMAL-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1C(C)C 223776967 KLPVTGNTJOBMER-UHFFFAOYSA-N 378.450 3.384 5 40 GGBB CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)CC1 95081643 XVVSAUNRTFTWGC-UHFFFAOYSA-N 386.246 3.414 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(Oc2cccc3[nH]ncc23)c([N+](=O)[O-])c1 69967124 SJQAYNUMQXSQTL-UHFFFAOYSA-N 390.421 3.294 5 40 GGBB O=C(COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1OC(F)F 3283873 HZKJYBIBWBMDCM-JXMROGBWSA-N 392.314 3.391 5 40 GGBB Cc1ccc(S(=O)(=O)NCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] 15362119 JYRFHCVLQDDVBS-UHFFFAOYSA-N 386.429 3.414 5 40 GGBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1c(F)cccc1Cl 32831902 MGKKOEOXBZUNRV-UHFFFAOYSA-N 399.769 3.331 5 40 GGBB O=C(COC(=O)c1c[nH]c2ccc(F)cc12)Nc1ccc(F)c([N+](=O)[O-])c1 95966993 KNWNVLUATPJAFD-UHFFFAOYSA-N 375.287 3.150 5 40 GGBB Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 223455036 DSHKLRDJYDTWRE-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12 598887 ZDUZYDDAHVZGCI-UHFFFAOYSA-N 376.460 3.185 5 40 GGBB COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl 4299681 DGTWLLQLUFFYHU-UHFFFAOYSA-N 386.813 3.375 5 40 GGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc2c(c1)OCCO2 8746137 IBIUWTVWBADGQC-ZDUSSCGKSA-N 388.445 3.206 5 40 GGBB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 15174634 AREFODDINWHCFD-DHZHZOJOSA-N 393.443 3.163 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 7159826 IDBMOQJRBMMOQO-UHFFFAOYSA-N 391.283 3.323 5 40 GGBB COc1ccc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc1OC 7700533 HHNXETCOBVQIDV-UKTHLTGXSA-N 379.372 3.266 5 40 GGBB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128355 SCWWAYWLUYOKRM-MNRXQERYSA-N 389.408 3.050 5 40 GGBB O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 13346022 IYIJMXUQCCNGIS-FPYGCLRLSA-N 382.781 3.147 5 40 GGBB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 4585722 AQDAFOAAOBQIEL-UHFFFAOYSA-N 391.430 3.250 5 40 GGBB COc1ccc(CC(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 4120675 PHLOBCWUSNGYBP-UHFFFAOYSA-N 385.445 3.278 5 40 GGBB COc1ccccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270703 YAVCLRNAFAAFIH-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB COc1ccc(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1OC 47323339 XOOMDOZRHAKVJO-UHFFFAOYSA-N 375.381 3.251 5 40 GGBB CC1CCN(S(=O)(=O)c2ccc(N(C)[C@@H](C)C3CC3)c([N+](=O)[O-])c2)CC1 24982930 SWFAWIQSWSQIQC-AWEZNQCLSA-N 381.498 3.250 5 40 GGBB CC(C)[C@@H](NC(=O)C[S@@](=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 58157998 AXSYZSLGIMUVPI-DWXRJYCRSA-N 378.425 3.355 5 40 GGBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccccc1[N+](=O)[O-] 12946203 LMCBVQLQNYRBCY-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1cccc(Cl)c1 5321842 HVSAJCFQDWLTIE-SFHVURJKSA-N 385.763 3.075 5 40 GGBB Cc1ccc(-c2nc([C@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 95450943 VHOSXRBMTGZZQM-CQSZACIVSA-N 390.396 3.262 5 40 GGBB CC(C)COc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1 14795764 JSINZSMYSKSHFK-UHFFFAOYSA-N 389.433 3.462 5 40 GGBB Cc1ccc(-n2nc(C)c(/C=C/c3nc4ncnn4c(O)c3[N+](=O)[O-])c2C)cc1 16311334 UMDQEWQVUBSOGV-CMDGGOBGSA-N 391.391 3.019 5 40 GGBB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)c(C)s1 40080874 TUUDAIMUTFMPLI-VXGBXAGGSA-N 375.450 3.269 5 40 GGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 10119888 BIOQLRSTBHLSOS-UHFFFAOYSA-N 396.388 3.022 5 40 GGBB COc1ccccc1C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1280208 XIWANMGLUDQWRR-INIZCTEOSA-N 384.452 3.379 5 40 GGBB biogenic CCn1c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])nc2ccccc2c1=O 7780060 SBXOPFGGVHMGRM-UHFFFAOYSA-N 398.444 3.364 5 40 GGBB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC 95534515 OKEYGUSDRJIOGP-QGZVFWFLSA-N 383.408 3.225 5 40 GGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1 5603880 QQURODRIYDIINK-ZRDDSIGQSA-N 396.402 3.472 5 40 GGBB CCN1CCC(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 14523875 RHGXUNRXWJRLOZ-UHFFFAOYSA-N 388.390 3.016 5 40 GGBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 3844161 OWFWSFYUHBRYMX-KRWDZBQOSA-N 383.429 3.131 5 40 GGBB biogenic COc1c(OC(C)=O)ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)c1[N+](=O)[O-] 4501988 GBTFXNPYBWDWDM-OAHLLOKOSA-N 391.405 3.061 5 40 GGBB Cc1c(CN(C)C(=O)c2ccc(COc3ccccc3[N+](=O)[O-])o2)cnn1C 17078421 OBYUMKVWHPMMHJ-UHFFFAOYSA-N 384.392 3.081 5 40 GGBB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 19683135 VRGDGGGARVLOOZ-UHFFFAOYSA-N 375.812 3.333 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28580714 AQHQSTHEGSUDDW-LBPRGKRZSA-N 391.786 3.375 5 40 GGBB O=C1CN(C(=O)c2ccc(F)c([N+](=O)[O-])c2)c2ccc(C(F)(F)F)cc2N1 59475443 DSTATPYLXHHKES-UHFFFAOYSA-N 383.257 3.352 5 40 GGBB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534524 WOZNVULNTANAFH-KRWDZBQOSA-N 383.408 3.225 5 40 GGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 409181365 BIJUXTBYOGHELL-UHFFFAOYSA-N 377.736 3.213 5 40 GGBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409231424 KEJPXSTYNIZCAS-OVCLIPMQSA-N 397.387 3.013 5 40 GGBB COc1ccc2cc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)[nH]c2c1 48235058 JQWFQDGNZPVVFJ-UHFFFAOYSA-N 380.404 3.047 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 6583877 MXQCLQSRTBTQRT-UHFFFAOYSA-N 390.421 3.023 5 40 GGBB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1ccc(F)c([N+](=O)[O-])c1 6816800 NIZIIQOCZUANSE-CSKARUKUSA-N 395.346 3.477 5 40 GGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C(=O)N1CCCC1 58108651 UQRHVROBSBQFSL-PBHICJAKSA-N 391.493 3.079 5 40 GGBB CN(C)C(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C(C)(C)C1 95464416 IOUYYVKAOFDKIU-UHFFFAOYSA-N 390.484 3.110 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 408628163 QDJIHLOHRLCOTB-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(S(C)(=O)=O)cc1 218133237 ZAECQBDOZQBWRP-INIZCTEOSA-N 376.434 3.188 5 40 GGBB CC(=O)Nc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1 224905565 XXFQXKJGIDTVBS-UHFFFAOYSA-N 383.813 3.032 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1 6392188 OIGOJOZRFXDQDW-UHFFFAOYSA-N 381.310 3.372 5 40 GGBB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 7881660 VDHXLVWYYBLPBJ-CRAIPNDOSA-N 396.399 3.152 5 40 GGBB Cc1ccccc1C(=O)NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C 8321130 QIRRXTNHDMPIPN-UHFFFAOYSA-N 397.460 3.254 5 40 GGBB Cc1cc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 30260049 ZPJUTKFHURSASJ-UHFFFAOYSA-N 386.383 3.032 5 40 GGBB COc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)c([N+](=O)[O-])c1 96347293 HTVLOCSGJGHRMU-UHFFFAOYSA-N 396.384 3.078 5 40 GGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 26826387 MRSJBSHLMOBYSH-GOSISDBHSA-N 388.420 3.202 5 40 GGBB biogenic O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC(c2nnc3ccccn23)CC1 24326250 CZHBCHGYMABJOO-CMDGGOBGSA-N 377.404 3.057 5 40 GGBB O=C(CN1CCCCCC1=O)OCc1cc(=O)oc2ccc3ccccc3c12 5539503 GDXUJHKKEXWLFE-UHFFFAOYSA-N 379.412 3.392 5 40 GGBB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1)c1ccco1 2640955 ZQJVMXHXUCYYHU-SFHVURJKSA-N 394.383 3.272 5 40 GGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)n1 4377274 LNRULBJCPMVPFZ-UHFFFAOYSA-N 399.384 3.158 5 40 GGBB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc([N+](=O)[O-])c1 5722488 CGVKNDAEXKLQAY-INIZCTEOSA-N 381.171 3.314 5 40 GGBB endogenous,in-man CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])c1C 6047524 UXQBCFGBEHFVMK-UHFFFAOYSA-N 393.783 3.191 5 40 GGBB COc1c2c(cc3c1[C@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 12661170 NDEKLSGDZJXAAG-IKGGRYGDSA-N 392.516 3.054 5 40 GGBB biogenic C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1c[nH]c2ccccc12 21421165 PJEKHQHYVLYTPA-LLVKDONJSA-N 396.355 3.276 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 1279971 XRSXIEBGBFSOTH-CVEARBPZSA-N 390.500 3.262 5 40 GGBB biogenic CN(CCOc1ccc(F)cc1)c1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 69951161 QIYOKKJVSGSMGI-UHFFFAOYSA-N 387.411 3.485 5 40 GGBB CC(=O)N1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)NC1=S 9028085 PSBFDMUQXDOIFD-NTUHNPAUSA-N 391.792 3.112 5 40 GGBB COc1ccc(CSCC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 32815536 VXULQFZXRRNARR-UHFFFAOYSA-N 376.390 3.204 5 40 GGBB CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1NC(C)=O 223261449 WSHPREHDCOLYRD-UHFFFAOYSA-N 393.421 3.061 5 40 GGBB Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)s1 40106628 HYWOEJUSFVYEBF-GQCTYLIASA-N 391.474 3.024 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 15357096 ICQDGFNZBSPEAJ-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 5943475 RDUKODUHLAQOHN-UHFFFAOYSA-N 384.388 3.356 5 40 GGBB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080050 XLPFBHUHSPWGOQ-NSHDSACASA-N 381.392 3.252 5 40 GGBB CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 863314 JUXRTAPUVUOTIU-KRWDZBQOSA-N 394.474 3.430 5 40 GGBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 7553138 RILHCIACTVQLLZ-INIZCTEOSA-N 387.417 3.211 5 40 GGBB O=[N+]([O-])c1ccc(NCCNc2ncnc3c2cnn3-c2ccccc2)cc1 9335633 PXAHJBZOFMJQMB-UHFFFAOYSA-N 375.392 3.248 5 40 GGBB CCn1c(=O)n(CCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc21 12767535 GCKGWFBKCITYHP-OAHLLOKOSA-N 396.447 3.341 5 40 GGBB COc1ccc(CN2CCCN(c3nc4sccn4c3[N+](=O)[O-])CC2)cc1 58489363 ABFMRVHZTLXSRQ-UHFFFAOYSA-N 387.465 3.025 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1NC(C)=O 408584027 ZNUJDVOJGLLJOC-UHFFFAOYSA-N 375.406 3.293 5 40 GGBB CCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl 408624826 CIFOJSIHKCVWTM-UHFFFAOYSA-N 395.824 3.479 5 40 GGBB COc1ccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1 7759201 ZOWXZGXYSVGQBT-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB CCOc1ccc([C@H]2C([N+](=O)[O-])=C(N)Oc3c2c(=O)oc2ccccc32)cc1 988731 UWODODOXWYRTLP-OAHLLOKOSA-N 380.356 3.121 5 40 GGBB Cc1ccc(C(=O)N[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 24977770 OLHNRJAGXOOCGQ-IBGZPJMESA-N 381.432 3.247 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)c2ccco2)CC1 25832631 GLAUZOOMCTUCCT-AWEZNQCLSA-N 385.420 3.260 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1 58160232 BSFVJLLGBFJIRN-UHFFFAOYSA-N 391.430 3.431 5 40 GGBB Cc1cccn2cc(COC(=O)/C=C/c3cc4c(cc3[N+](=O)[O-])OCO4)nc12 10376283 VPFTXEASOIFXEU-SNAWJCMRSA-N 381.344 3.036 5 40 GGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cc(C)ccc2C)NC(=O)N1 6052683 VXFBYZIYHXGUFA-SFHVURJKSA-N 380.404 3.478 5 40 GGBB Cc1nn(CC(=O)OCc2csc(-c3ccc(F)cc3)n2)c(C)c1[N+](=O)[O-] 6070706 UVTLRYHNYAJWDQ-UHFFFAOYSA-N 390.396 3.414 5 40 GGBB C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[C@@H]1CCCO1 12528074 BXFBYZULUQPCIJ-KSSFIOAISA-N 397.497 3.139 5 40 GGBB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14923941 BTMBWJQQFXOPQU-ZDUSSCGKSA-N 390.390 3.022 5 40 GGBB COc1ccccc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17079280 DOCIZZJPZYGZEM-UHFFFAOYSA-N 388.430 3.340 5 40 GGBB CCCCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3947408 NUOYBFODJOUHKE-UHFFFAOYSA-N 378.406 3.353 5 40 GGBB COC(=O)c1cc(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cc([N+](=O)[O-])c1 5279793 AADURSGYVGHWID-UHFFFAOYSA-N 393.735 3.121 5 40 GGBB O=C(N[C@@H]1CCSc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 7779165 CVHYXDAVEKKKHD-QGZVFWFLSA-N 399.472 3.398 5 40 GGBB Cc1ccc(C)c(N2N=C(C(=O)OCc3cccc([N+](=O)[O-])c3)CCC2=O)c1 7986135 PMWJGLKURUCBRY-UHFFFAOYSA-N 381.388 3.438 5 40 GGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 12748236 QRWOYFFIBYJKAH-UHFFFAOYSA-N 396.399 3.101 5 40 GGBB Cc1sc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)cc1[N+](=O)[O-] 24451475 CAHKFRFLEAXCCE-UHFFFAOYSA-N 376.434 3.487 5 40 GGBB COc1ccc(OC)c(CN2CCN(c3ccc(C(C)=O)cc3[N+](=O)[O-])CC2)c1 33010973 AWCUNECAUZRZDO-UHFFFAOYSA-N 399.447 3.137 5 40 GGBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 40083040 XSHAWZTYALFXQM-LLVKDONJSA-N 383.433 3.082 5 40 GGBB CC(C)c1ccc(-c2nn3c(CCC(=O)O)nc4ccccc4c3nc2=O)cc1 71924137 GNBRUOVDAHEJAP-UHFFFAOYSA-N 388.427 3.445 5 40 GGBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)o1 107880794 LIEKNJFOYFJJMV-RIYZIHGNSA-N 388.357 3.211 5 40 GGBB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 3102018 GVADSEAAFZHNBM-GOSISDBHSA-N 381.388 3.308 5 40 GGBB C[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])o1)C(=O)NC12CC3CC(CC(C3)C1)C2 8726433 ZIBOBOGBQGBJCA-QUYQGMNTSA-N 388.420 3.218 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25376237 YYHFJVKLRCIRDZ-NXEZZACHSA-N 382.360 3.003 5 40 GGBB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019770 QAKFJGONMTYDCI-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 2652467 WOUYMIRANFGBBQ-UHFFFAOYSA-N 376.390 3.121 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccccc2Cl)cc1[N+](=O)[O-] 8560884 ITOMBEMIQGKJHS-UHFFFAOYSA-N 381.728 3.183 5 40 GGBB CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 9116328 YZSAXIVHAVMMHS-UHFFFAOYSA-N 395.412 3.017 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 5644389 VIIORNIFDWPICK-QGZVFWFLSA-N 382.372 3.366 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)NCC2CCCCC2)cc1[N+](=O)[O-] 9378012 HUTAQZXOOYBSFY-UHFFFAOYSA-N 375.454 3.185 5 40 GGBB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1ccc([N+](=O)[O-])cc1 4479138 BDPADFDLZPLPOI-UHFFFAOYSA-N 381.779 3.192 5 40 GGBB Cc1c(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cccc1C(=O)O 6571305 OHLGIKMGIPBEDV-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3Cl)c2)cc1 2804881 WNHJBLWSZSGQCW-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 12738340 UBJVUAOZIDDRTK-INIZCTEOSA-N 392.433 3.138 5 40 GGBB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225683169 CAXHOWOHUXGOGZ-QGZVFWFLSA-N 397.475 3.122 5 40 GGBB Cc1cc(C)n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)nnc2n1 5518228 YCSMKEABHZNJDE-UHFFFAOYSA-N 392.828 3.034 5 40 GGBB O=C(c1ccc(N2CCCC2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 7383824 ZHGKCMLAALIXRE-UHFFFAOYSA-N 380.448 3.157 5 40 GGBB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccc(F)c([N+](=O)[O-])c1 8075048 CFNOKUNURJSCPR-UHFFFAOYSA-N 375.381 3.201 5 40 GGBB CC[C@@H](CO)Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1Br 32919265 XUCGXQYFZNPMCO-VIFPVBQESA-N 382.218 3.074 5 40 GGBB COc1cc(C(=O)N2CCCCC2)c([N+](=O)[O-])cc1OCc1cscn1 56379806 MHMOBZBQZDYMNY-UHFFFAOYSA-N 377.422 3.265 5 40 GGBB CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 3018629 PHAPNFPDYXSDJD-UHFFFAOYSA-N 388.420 3.298 5 40 GGBB CSc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] 10222420 FGZCXSXSMZWZIQ-UHFFFAOYSA-N 382.445 3.475 5 40 GGBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 72328752 ZHVZBLUHVGOIFD-UHFFFAOYSA-N 395.394 3.086 5 40 GGBB Cc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 220403325 UUGPZQPCILZMSD-CQSZACIVSA-N 391.449 3.005 5 40 GGBB Cc1nnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 7737590 GQKXJVWLPYVDBZ-UHFFFAOYSA-N 399.329 3.160 5 40 GGBB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 8349513 PTEVIQNBHUEXQM-AWEZNQCLSA-N 397.460 3.487 5 40 GGBB CCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 408625682 FEOOLECMQPKUJX-UHFFFAOYSA-N 375.406 3.129 5 40 GGBB COCCCNC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 14831583 RBPQZVMIURGWEI-ZHACJKMWSA-N 383.404 3.013 5 40 GGBB CC(C)OC(=O)C[C@@H](NC(=O)c1ccc2cn[nH]c2c1)c1ccccc1[N+](=O)[O-] 32901018 FNFCSWLSBHGKCH-QGZVFWFLSA-N 396.403 3.284 5 40 GGBB Cc1ccc(S(=O)(=O)c2nc(-c3cccc([N+](=O)[O-])c3)oc2N(C)C)cc1 865459 BFKCNIADBVXSFY-UHFFFAOYSA-N 387.417 3.457 5 40 GGBB COc1ccc(C)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270773 BCMDZFJAAJETHG-UHFFFAOYSA-N 393.399 3.374 5 40 GGBB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c([N+](=O)[O-])c1 5868919 MNYNYPCCDPJKHT-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB Cc1c(O[C@@H](C)C(=O)NCCCN(C)C)ccc2c1oc(=O)c1ccccc12 6660223 QSIMXIXDKYMFDO-HNNXBMFYSA-N 382.460 3.090 5 40 GGBB COC(=O)C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl 14120589 HJKOZUYTQOHLDE-AWEZNQCLSA-N 392.795 3.048 5 40 GGBB COc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)c([N+](=O)[O-])c1 32824840 DOAPRZVQLLEQES-UHFFFAOYSA-N 384.360 3.023 5 40 GGBB COc1cc(C(=O)N2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)ccc1C 53090172 KDQDUPUMBHMRRV-INIZCTEOSA-N 383.448 3.431 5 40 GGBB CC(C)COC[C@@H](O)CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 84544433 WNAOAQTVYLHHFI-KRWDZBQOSA-N 387.436 3.102 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)o1 409130977 OSDRKMRHKUZZCS-VGOFMYFVSA-N 388.357 3.284 5 40 GGBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 5674201 JKOMTLSPNSPLNW-UHFFFAOYSA-N 394.387 3.193 5 40 GGBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409012717 RMHVDGNQTKWZFC-OTIXFSKASA-N 384.797 3.236 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2nnc(SCC(C)C)s2)cc1[N+](=O)[O-] 223264762 FINQPRXAKKDXHE-UHFFFAOYSA-N 388.496 3.304 5 40 GGBB COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OC[C@H]1CCCO1 40106777 RATRELBWHBCTSV-OAHLLOKOSA-N 386.404 3.091 5 40 GGBB CC(C)n1[nH]c(=O)c2c(-c3ccc[nH]c3=O)c3oc4cc(O)ccc4c3nc21 85879589 SMXXVSIMGNURKQ-UHFFFAOYSA-N 376.372 3.266 5 40 GGBB biogenic CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222754677 QASJKLPKWWCPOK-ROUUACIJSA-N 379.445 3.383 5 40 GGBB COc1ccc2c(CC(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])coc2c1 5185013 XMEVRCKPYFJHCN-UHFFFAOYSA-N 384.344 3.074 5 40 GGBB CCOc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 5270712 KFSQFYLTWHSCCG-UHFFFAOYSA-N 393.399 3.456 5 40 GGBB O=C(CCC(=O)c1cccs1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5787151 FPSJKUQRGMOEEQ-UHFFFAOYSA-N 387.373 3.413 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ncc(C(F)(F)F)cc1Cl 3231683 UICYAFPSICLIEH-UHFFFAOYSA-N 393.661 3.051 5 40 GGBB COc1ccc([C@@H](C)NC(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1OC 72329406 CTGMZSWYXMMWHI-GFCCVEGCSA-N 396.403 3.493 5 40 GGBB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 36329906 JCAWPMHPDZNVEB-DXCKQFNASA-N 388.420 3.195 5 40 GGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 6030003 YQBVSDOHBCEXAF-MDWZMJQESA-N 387.373 3.171 5 40 GGBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1 6615597 WWHWJYDSFJUIMX-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB COC(=O)c1nn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 4881476 LMIYEFKGHCIXDQ-UHFFFAOYSA-N 399.310 3.104 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] 8560724 MOTPURKLUBIBAR-UHFFFAOYSA-N 375.337 3.146 5 40 GGBB O=C(Nc1ccc(Br)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 8767414 XYCGPPTWAFOJFH-UHFFFAOYSA-N 388.181 3.190 5 40 GGBB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc([N+](=O)[O-])cc1 6864841 BTPPSFJWSOQMDY-UHFFFAOYSA-N 380.389 3.145 5 40 GGBB Cc1ccc(C(=O)CCC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 15382161 JQLNWGKTVZAIEB-UHFFFAOYSA-N 381.432 3.215 5 40 GGBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccccc3[N+](=O)[O-])nn12 21595710 UNGOWNYQHLNECR-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] 100812396 NXTAREKTBZLSCB-HHHXNRCGSA-N 395.349 3.480 5 40 GGBB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21509859 MCNSPQOMXQVDHS-GFCCVEGCSA-N 398.350 3.104 5 40 GGBB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 6788277 INSZGKXNAYWIAA-VIFPVBQESA-N 389.433 3.141 5 40 GGBB CN(Cc1ccccc1N1CCCCC1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 12594829 ARHIATUKCTWNHX-UHFFFAOYSA-N 393.447 3.229 5 40 GGBB CCCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 2114145 YWFMZDPCNQKBLJ-QGZVFWFLSA-N 383.400 3.085 5 40 GGBB biogenic COCCn1c(-c2ccc(Cl)cc2)nc2oc3ccccc3c(=O)c2c1=O 2341268 HJCCTRIMCSFWQH-UHFFFAOYSA-N 382.803 3.470 5 40 GGBB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 71881431 DVOFPADPVPVCRR-UHFFFAOYSA-N 391.431 3.344 5 40 GGBB COc1cccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 218126418 YMLXOINPTUPTDB-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 71858480 YTHWABHCICCNHA-SNVBAGLBSA-N 377.759 3.379 5 40 GGBB CCOc1ccc([C@H](N)c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)cc1OCC 95534514 OKEYGUSDRJIOGP-KRWDZBQOSA-N 383.408 3.225 5 40 GGBB COc1cc(CCNC(=O)CSc2ccccc2F)c([N+](=O)[O-])cc1OC 8707769 MCLVHCGDPSNBJL-UHFFFAOYSA-N 394.424 3.202 5 40 GGBB COCCCn1c(-c2ccccc2F)nc2oc3ccccc3c(=O)c2c1=O 2228745 OXPJBJDAESKWQN-UHFFFAOYSA-N 380.375 3.346 5 40 GGBB C[C@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 5529678 ZCGGXSVCMXSGLZ-LRDDRELGSA-N 378.392 3.232 5 40 GGBB COc1ccccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187935 VVDNDSZTESTCNG-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB Cc1nn(CC(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 3393474 ZRLGYJQODMMTOB-CYBMUJFWSA-N 384.392 3.012 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 13137685 IRTFXFDMNWWIBA-UHFFFAOYSA-N 381.417 3.077 5 40 GGBB CN(CCOc1ccccc1Cl)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45798693 PMSFJBYGEPFSIR-UHFFFAOYSA-N 384.841 3.089 5 40 GGBB O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCC1 47367420 YBKMIDBOZPEVJG-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB CCOC(=O)C1=C(C)N(C)[C@@H]2C=CC(OC(=O)c3cccc([N+](=O)[O-])c3C)=C[C@H]12 11565795 ZVIFKQHEDHBMBB-FUHWJXTLSA-N 398.415 3.281 5 40 GGBB Cc1c(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)cccc1[N+](=O)[O-] 40116491 VCCBHNFUZXLYLI-GOSISDBHSA-N 375.331 3.149 5 40 GGBB CCNc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1[N+](=O)[O-] 32830645 SKLGJCZVDZHHDV-GOSISDBHSA-N 379.420 3.280 5 40 GGBB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3069542 VXSADWDTNLGOCT-UHFFFAOYSA-N 378.406 3.353 5 40 GGBB CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 55595048 BXDOXMZFGSJYIF-UHFFFAOYSA-N 377.422 3.361 5 40 GGBB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408627785 NSKORGUYHIHJGO-UHFFFAOYSA-N 382.401 3.486 5 40 GGBB Cc1cc(CNC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C)c1O 7061756 MCXVBGGCUXDBBQ-UHFFFAOYSA-N 392.795 3.044 5 40 GGBB CCOc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1[N+](=O)[O-] 8349847 XUPBCMRZMQGRHM-AWEZNQCLSA-N 395.419 3.407 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1 22519876 GVDXKCNSZPZCAQ-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NC1CCCCCC1 6611481 WIJMGCMZRKWYSX-UHFFFAOYSA-N 391.468 3.437 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25835546 FCAKQCQIWFAVDJ-HOCLYGCPSA-N 385.420 3.260 5 40 GGBB Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 95454071 OVXUYJWLCZMJKU-YJBOKZPZSA-N 387.823 3.258 5 40 GGBB CC[C@@H](Oc1ccccc1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 8921781 FRSKAHHUPKKZKE-QGZVFWFLSA-N 388.420 3.128 5 40 GGBB CCN(CC)C(=O)c1ccc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc1 10446621 NFNLWEAKSLYORA-UHFFFAOYSA-N 389.383 3.233 5 40 GGBB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14923939 BTMBWJQQFXOPQU-CYBMUJFWSA-N 390.390 3.022 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 15222957 BPWMWNACLRHPAX-WAYYCVMKSA-N 377.194 3.059 5 40 GGBB CS(=O)(=O)c1ccc(NCc2ccccc2N2CCCC2)c([N+](=O)[O-])c1 49979845 GSBGWKOEHQTXAZ-UHFFFAOYSA-N 375.450 3.211 5 40 GGBB COc1cc(OCC(=O)NCCSCc2ccccc2)ccc1[N+](=O)[O-] 66017343 HEHWDGXBZHMVQC-UHFFFAOYSA-N 376.434 3.032 5 40 GGBB Cc1cc(F)cc(C(=O)NCCCC(=O)N2CCc3ccccc32)c1[N+](=O)[O-] 79056563 ULARONGPUJYFDD-UHFFFAOYSA-N 385.395 3.142 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CC[C@H](C(=O)O)CC1 102674480 JFMKUABNQSWPOK-IYBDPMFKSA-N 392.455 3.162 5 40 GGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc2ccccc2c1 103618098 GESFOBMJOSOOIB-HKUYNNGSSA-N 387.351 3.041 5 40 GGBB CCOc1ccc(CCCNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 219827052 YHYLCOYEPPHMPT-UHFFFAOYSA-N 388.420 3.130 5 40 GGBB CCOC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 408526827 BPPCWJWUVSRFGX-UHFFFAOYSA-N 381.344 3.176 5 40 GGBB Cc1cc(F)cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1[N+](=O)[O-] 79055843 SIIXCUCXTBFBCP-CQSZACIVSA-N 391.786 3.231 5 40 GGBB CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 3204395 GHBGVJFPZCWYHG-PXNSSMCTSA-N 393.399 3.413 5 40 GGBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n1 18063925 XGQKLOKAXUYAEB-UHFFFAOYSA-N 382.829 3.015 5 40 GGBB C[C@@H]1CCC[C@H]2C1=NN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@]2(O)C(F)(F)F 409182971 PUGVFGUSJJPJMY-HICWGWBUSA-N 385.342 3.023 5 40 GGBB O=C(O)C[C@H](NC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 4580527 OXJWTIJAWAGOQY-AWEZNQCLSA-N 393.193 3.303 5 40 GGBB O=C(O)c1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl 6884452 HSXJXRGJAZWUPI-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB CN1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2OCCCN2Cc2ccccc2)CC1 59489910 KGDZDPMEOKKUKE-JOCHJYFZSA-N 396.491 3.268 5 40 GGBB O=c1/c(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)sc2nc3ccccc3n12 113835282 SATRZIAMAQZHGD-PDGQHHTCSA-N 388.408 3.156 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1c(F)cccc1Cl 3332323 HWGICMFVZBVQLM-UHFFFAOYSA-N 396.758 3.120 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 8725564 BHTVTXLAAHYQPV-INIZCTEOSA-N 386.433 3.305 5 40 GGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C(=O)N1c1cccc2ccccc12 101344209 DQEHAXPIEWNUFB-PKOBYXMFSA-N 387.351 3.041 5 40 GGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cnc2ccccc2c1 797415 KKYPPAKDTNGTDA-UHFFFAOYSA-N 390.197 3.049 5 40 GGBB COc1ccc([C@H](C[N+](=O)[O-])c2c(C)nn(-c3ccccc3)c2O)cc1OC 100848885 IDUCOQQKMKDLIN-INIZCTEOSA-N 383.404 3.312 5 40 GGBB CNC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 1091786 VHMTYVUXACQEBL-OAQYLSRUSA-N 379.416 3.241 5 40 GGBB CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2258171 LEFKHMUVYQRNQC-AWEZNQCLSA-N 377.448 3.129 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](C(F)(F)F)C1 36389910 FXAMDOVJVBRSEN-QWRGUYRKSA-N 375.347 3.205 5 40 GGBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)n2C)cc1 409170331 UWAFNUAOIAUYFM-UHFFFAOYSA-N 399.432 3.135 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224763029 XDAXZJKBBDUTNX-UHFFFAOYSA-N 385.785 3.372 5 40 GGBB C[C@H]1CCC[C@H](n2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)[C@@H]1C 40399051 GMBJHBDZXWAQAP-KSMMKXTCSA-N 389.459 3.421 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 2711543 QOCGVELYDHRUQK-UHFFFAOYSA-N 391.474 3.197 5 40 GGBB O=C(CSc1ncc(CO)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 10336324 YLCJBOQSSPETLC-UHFFFAOYSA-N 398.444 3.063 5 40 GGBB O=C(c1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]1(O)C(F)(F)F 724136 YHURVIJZFRTWNH-INIZCTEOSA-N 379.294 3.096 5 40 GGBB Cc1ccc(OCc2ccc(C(=O)NCCCn3ccnc3)o2)c([N+](=O)[O-])c1 6413039 HTGQMTPQMZGRCP-UHFFFAOYSA-N 384.392 3.092 5 40 GGBB COc1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 216434852 CWGONJBAVZGHAE-UHFFFAOYSA-N 386.813 3.207 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015655 BOYTZDMAOVBQNO-UHFFFAOYSA-N 385.785 3.372 5 40 GGBB C[C@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 5427651 IXOWCRFZRRSUTC-BLLLJJGKSA-N 378.392 3.232 5 40 GGBB O=C(NCCOc1ccc(-c2ccco2)nn1)c1cc([N+](=O)[O-])ccc1Cl 10324682 MRPSTSGSYKQDRV-UHFFFAOYSA-N 388.767 3.107 5 40 GGBB Cc1cc(N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)ccc1[N+](=O)[O-] 51592179 GBELAKGTEHSXFN-CQSZACIVSA-N 382.420 3.103 5 40 GGBB CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6052717 KGQKXRFQYCWJKA-SFHVURJKSA-N 396.403 3.260 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(Br)c1 3171017 YFZSNBPROPYLSM-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2ncccc2[N+](=O)[O-])cc1 24153451 CDXUTXHMODGPSJ-ZDUSSCGKSA-N 378.454 3.193 5 40 GGBB O=C(NC(=S)Nc1ccccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408628192 QOFARJHVOBFWRD-UHFFFAOYSA-N 386.433 3.027 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 20496201 BXBCQJCFFBRADE-XCVCLJGOSA-N 381.304 3.205 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)n2)c(Br)c1 95944160 DPCXNICKLATVHX-UHFFFAOYSA-N 392.618 3.207 5 40 GGBB COc1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408626825 ISJUINPISUTRRO-UHFFFAOYSA-N 379.825 3.313 5 40 GGBB O=C(c1ccccc1Br)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48305968 HDNIIKQPNZBXLL-UHFFFAOYSA-N 390.237 3.320 5 40 GGBB CC(C)c1n[nH]c(Sc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])n1 22420426 RYXNXGKILBJYCC-UHFFFAOYSA-N 399.498 3.064 5 40 GGBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6613966 NVXCXJTXXNSOCW-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)c1ccc(Cl)cc1 7509251 MAYTXVQXMRDHQN-SNVBAGLBSA-N 391.763 3.448 5 40 GGBB Cc1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)cc1[N+](=O)[O-] 409349698 VWNCUUCHYOEBOU-ALCCZGGFSA-N 384.304 3.443 5 40 GGBB C[C@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 15940958 HFTITWWAATUJHK-AWEZNQCLSA-N 379.420 3.338 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc(N2CCCC2=O)cc1 16144248 SNCSGIGJFZSNOB-HNNXBMFYSA-N 397.431 3.320 5 40 GGBB C[C@](O)(/C=C1/Oc2ccc([N+](=O)[O-])cc2[C@H]1N1CCOCC1)[C@@H]1C[C@H]2C=C[C@H]1C2 100088408 PSHLMLNENHNYFX-YYUQDVICSA-N 398.459 3.208 5 40 GGBB Cc1sc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 31009689 VCASSHQYEBAZDT-UWVGGRQHSA-N 394.371 3.359 5 40 GGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1 22242754 UCUFWDOGLHJZCT-SFHVURJKSA-N 382.372 3.230 5 40 GGBB CC(=O)c1ccc(N[C@@H](C)c2ccc(NS(C)(=O)=O)cc2)c([N+](=O)[O-])c1 40149322 AFZHYHPREXMEST-NSHDSACASA-N 377.422 3.342 5 40 GGBB O=C(c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)N1CCc2n[nH]nc2C1 97009220 CBJDYYDSCJYRFN-UHFFFAOYSA-N 399.794 3.357 5 40 GGBB CC(C)Oc1ccc(CNC(=O)c2cc[nH]c(=N)c2[N+](=O)[O-])c(C(F)(F)F)c1 548387569 OJHBFMNUWHKFIH-UHFFFAOYSA-N 398.341 3.138 5 40 GGBB COc1ccc(C)cc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5866886 HZIFXWSNWUNAGJ-UHFFFAOYSA-N 391.449 3.440 5 40 GGBB COc1ccc([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 2187042 KCMUVORUBFBSIM-QGZVFWFLSA-N 389.389 3.399 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1cccs1 3223293 AAJWLWOUCGUPSV-LXSSAFMLSA-N 376.390 3.249 5 40 GGBB O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCC3)cn2)cc1 8130234 FWOWKWRYEBRDOU-UHFFFAOYSA-N 379.463 3.067 5 40 GGBB CCOC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 20461648 JDKXXHZROKNUSB-UHFFFAOYSA-N 384.797 3.226 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])NC[C@H](c1cccs1)N1CCCCC1 27584764 RMQMRLTWKPKWJM-MRXNPFEDSA-N 389.477 3.379 5 40 GGBB COC(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 32770584 WKXLUGOEWXBOTL-UHFFFAOYSA-N 393.417 3.447 5 40 GGBB CC(C)(CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 32829956 OERMLOJUWHBQQI-UHFFFAOYSA-N 383.448 3.457 5 40 GGBB C[C@@H]1CCCC[C@@H]1n1ccc2nc3ccn(-c4ccn[nH]4)c(=O)c3cc2c1=O 40399045 DULVXWJKHKZCFL-ACJLOTCBSA-N 375.432 3.175 5 40 GGBB Cc1cc(F)cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1[N+](=O)[O-] 79055850 SIIXCUCXTBFBCP-AWEZNQCLSA-N 391.786 3.231 5 40 GGBB Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cs2)cc1 12864135 RBQOJMNEHOYRAY-KRWDZBQOSA-N 383.429 3.490 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1Cl 408627211 LHDBTQYDHHTYBW-UHFFFAOYSA-N 381.797 3.089 5 40 GGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 4402384 OJXNUHVCJNIBAZ-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB O=C(c1cc2c(cc1-c1cc3c(cc1[N+](=O)[O-])OCCO3)OCCO2)C1CC1 44928778 PQSLBPVAPFDUHP-UHFFFAOYSA-N 383.356 3.397 5 40 GGBB O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1CCCn1ccnc1 13618325 AUCFFSKYROZGQJ-UHFFFAOYSA-N 392.371 3.270 5 40 GGBB O=C1CC[C@]2(C(=O)OCc3csc([N+](=O)[O-])c3)Sc3ccccc3N12 50936163 UFRNCAZASKFTNP-MRXNPFEDSA-N 376.415 3.329 5 40 GGBB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1C 6006718 RANKTRPBRCKMSG-PKNBQFBNSA-N 384.388 3.497 5 40 GGBB C[C@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101648281 HJRAEQKPMOWDLT-ZJIFWQFVSA-N 384.436 3.382 5 40 GGBB CC(C)(C)c1csc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 7814050 QNMIFFIGHOCFAH-UHFFFAOYSA-N 376.438 3.107 5 40 GGBB Cc1ccnc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 408620887 KMBGQULZZBUFGO-UHFFFAOYSA-N 399.476 3.415 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)n1nnc(-c2ccccc2)n1 48342962 JYDKEMLBGVOCKX-QGZVFWFLSA-N 396.407 3.093 5 40 GGBB O=C(COC(=O)Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1Cl 5416191 VULSDBQPYHRNAA-UHFFFAOYSA-N 387.779 3.454 5 40 GGBB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 4120123 UVVGGRDIGQYVHR-CQSZACIVSA-N 385.445 3.494 5 40 GGBB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7928472 ZCXYBOBQAUFUSY-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB COc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c([N+](=O)[O-])c1 8264963 CMZNMEFEOHDAEL-CQSZACIVSA-N 383.404 3.212 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 408625525 YKYJNBUHXAQPFH-UHFFFAOYSA-N 393.808 3.146 5 40 GGBB O=C1c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 95470811 RTWLVRKUAWBVLZ-UHFFFAOYSA-N 391.383 3.343 5 40 GGBB COc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)n[nH]2)c([N+](=O)[O-])c1 19927503 YHUFFBNZPUKMLG-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 168083611 BPWMWNACLRHPAX-ZHMYYEFOSA-N 377.194 3.059 5 40 GGBB O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCc1ccc(F)cc1Cl 4922902 UJOUZCNVMKITSE-UHFFFAOYSA-N 398.181 3.472 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12798597 FFMNPQRIUPYHRY-CQSZACIVSA-N 395.415 3.077 5 40 GGBB O=[N+]([O-])c1ccccc1NS(=O)(=O)c1cc(F)c(Br)cc1F 95945403 OWBGKCRUAYTDJO-UHFFFAOYSA-N 393.165 3.436 5 40 GGBB COC(=O)c1cc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 7073935 UAFLPBGZWXYFFG-SNVBAGLBSA-N 376.340 3.020 5 40 GGBB C[C@@H](SC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2711471 IMIKVQRVBAMTCF-CYBMUJFWSA-N 391.474 3.450 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] 12887580 RFBYXDFPBIKQBF-GASCZTMLSA-N 397.431 3.405 5 40 GGBB Cc1c(C(=O)OCC(=O)Nc2ccccc2OC(F)F)cccc1[N+](=O)[O-] 2655387 KTNQYDJJDQFSSZ-UHFFFAOYSA-N 380.303 3.300 5 40 GGBB O=C(NN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1 408756027 XFCLDNQSSWYWSP-ZROIWOOFSA-N 387.348 3.115 5 40 GGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H]1COc2ccccc2O1 31173469 FHLDKZJTINAYHC-HNNXBMFYSA-N 385.420 3.004 5 40 GGBB Cc1nnc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)s1 1824226 UVFIWLXIMDVBBA-UHFFFAOYSA-N 382.357 3.348 5 40 GGBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC1CCCCC1 4840073 RSBPPMASERTDPY-UHFFFAOYSA-N 389.452 3.191 5 40 GGBB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 4934903 BDQXQAFKFPHAME-SFHVURJKSA-N 391.387 3.219 5 40 GGBB O=C(NCCNC(=O)c1cccs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8402055 PROVLUYWFTZWSC-UHFFFAOYSA-N 385.401 3.076 5 40 GGBB Cc1cccc(C(=O)N[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 24974896 PIJBNYWGNLNUEZ-IBGZPJMESA-N 381.432 3.247 5 40 GGBB C[C@]1(c2ccccc2Br)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 225343934 VUOFMAHLSUUORM-HNNXBMFYSA-N 393.266 3.429 5 40 GGBB COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409051989 FINHJTRXMTXRIT-UHFFFAOYSA-N 397.431 3.403 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 8414199 WGUVLVSEUACQJH-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 11342186 VYXGWMXDVAXMDD-NWDGAFQWSA-N 390.367 3.165 5 40 GGBB COc1ccc(C(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] 14334728 SIXSDQDRYMKEPA-SJLPKXTDSA-N 381.432 3.360 5 40 GGBB COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 20611819 QOLASCGTNTWCDD-RUDMXATFSA-N 383.404 3.092 5 40 GGBB C[C@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 25099406 OONVSMYFKFRNSE-LBPRGKRZSA-N 397.387 3.127 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1[N+](=O)[O-] 32097998 NTJOOXBEYXGYER-UHFFFAOYSA-N 375.410 3.030 5 40 GGBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 100563933 DJGJDESGGUEHIL-UHFFFAOYSA-N 379.266 3.205 5 40 GGBB COc1cccc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2nccn2C)c1 12507640 IREQHSQBGHWIAM-KRWDZBQOSA-N 381.392 3.248 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(Cc1ccccc1)CC(F)(F)F 12568821 CTKYMYGMKFIXGU-UHFFFAOYSA-N 393.321 3.213 5 40 GGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(-c2cccs2)cs1 12742014 PLOLBJUWIBYSBO-UHFFFAOYSA-N 388.430 3.148 5 40 GGBB COCCn1c(-c2ccc(F)cc2)nc2sc3ccccc3c(=O)c2c1=O 2358781 FVELYBOYFHDGKY-UHFFFAOYSA-N 382.416 3.424 5 40 GGBB Cc1cc(OCC(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1[N+](=O)[O-] 22257535 OQFQPNGPORSDRH-UHFFFAOYSA-N 388.405 3.052 5 40 GGBB O=c1[nH]c(/C=C/c2cc(Cc3ccccc3Cl)ccc2O)c([N+](=O)[O-])c(=O)[nH]1 6343714 NDLVZEAQFLKIJQ-VOTSOKGWSA-N 399.790 3.092 5 40 GGBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(=O)c2ccco2)cc1 6926158 ZMTOGHFKNWVHCY-UHFFFAOYSA-N 395.323 3.447 5 40 GGBB O=[N+]([O-])c1cc2nc(N3CCCCC3)c(N3CCCCC3)nc2cc1[N+](=O)[O-] 5567209 VJBIQZFWCZPVDC-UHFFFAOYSA-N 386.412 3.427 5 40 GGBB CC(C)(O)CCc1ccc(O)c2c(=O)c3c(O)c4c(cc3oc12)O[C@@H]1OC=C[C@H]41 13374563 JWPAJVNQGTWPMI-FIKIJFGZSA-N 396.395 3.407 5 40 GGBB biogenic,in-vitro Cc1cc(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1N1CCCC1=O 11748733 BUNNEWVBQUJTGR-UHFFFAOYSA-N 397.387 3.054 5 40 GGBB CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 8335626 MMQXYUQVKRUEFN-GOSISDBHSA-N 380.404 3.478 5 40 GGBB COc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c([N+](=O)[O-])cc1OC 5441636 KTFSGQSRZCGAHT-UHFFFAOYSA-N 399.403 3.381 5 40 GGBB CCNc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1[N+](=O)[O-] 32809018 DEWPCGNSAVEMLL-OAHLLOKOSA-N 380.408 3.047 5 40 GGBB O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)N2CCc3ccccc3C2)c1 78876359 DNBXSMJOJILRRG-UHFFFAOYSA-N 397.250 3.104 5 40 GGBB COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c2c(=O)n(-c3ccccc3)[nH]c2n1 104271735 MWQAVNHRXGJQPE-UHFFFAOYSA-N 390.355 3.076 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1[N+](=O)[O-] 12986132 BZGXPWXQGZVQDK-UHFFFAOYSA-N 380.404 3.259 5 40 GGBB COc1ccc(CCNC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1 32777267 WMAJNLXOCYYZDV-UHFFFAOYSA-N 387.417 3.196 5 40 GGBB COc1c2c(cc3c1[C@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 100748370 NDEKLSGDZJXAAG-YESZJQIVSA-N 392.516 3.054 5 40 GGBB biogenic COC(=O)C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccc1Cl 14120587 HJKOZUYTQOHLDE-CQSZACIVSA-N 392.795 3.048 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 36092271 DIXNZQZUFYGELB-LOHFZDIYSA-N 390.395 3.485 5 40 GGBB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 195532226 UFYIEKJQBYEGCH-YMTYPPQLSA-N 387.480 3.376 5 40 GGBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1 6940703 ZVAVAQHTEZYSDP-LLVKDONJSA-N 399.856 3.305 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(O)c3)o2)cc1[N+](=O)[O-] 4953178 FVNLMKWNLAGWJX-UHFFFAOYSA-N 386.389 3.390 5 40 GGBB COc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O 24751241 VESMRWWUTKHXPC-UHFFFAOYSA-N 398.419 3.171 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O 6662020 TWINNGGFCAOABM-UHFFFAOYSA-N 384.779 3.355 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 408920468 IWXDCWPHLVVRQW-UHFFFAOYSA-N 389.452 3.316 5 40 GGBB CCOC(=O)CC[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br 95974220 CAFXFRDTVNMOJB-NSHDSACASA-N 386.246 3.455 5 40 GGBB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 20104853 KYZCPQPBAFXCLH-UHFFFAOYSA-N 395.824 3.176 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(C)c1OC 408624581 VDCMJNCKPXZTFS-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB Cc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)cc1 32101111 BICWMEOHLWZBDF-QGZVFWFLSA-N 393.321 3.404 5 40 GGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1occc1COc1ccccc1 22242756 UCUFWDOGLHJZCT-GOSISDBHSA-N 382.372 3.230 5 40 GGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)cc1 14344189 AMZMUGGJZYUEML-UHFFFAOYSA-N 389.795 3.393 5 40 GGBB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409145767 RTDAXFVFEZUGLM-DOMZBBRYSA-N 389.481 3.177 5 40 GGBB COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O 8091977 WQAYJLWWKYKTJJ-KMKOMSMNSA-N 391.188 3.111 5 40 GGBB CCc1onc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6087479 AQUJSSNRRMLTMZ-SECBINFHSA-N 381.772 3.291 5 40 GGBB CC(C)(C)n1nc2c(c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[S@@](=O)C2 2725053 YVCAKWPGWNXJIO-SANMLTNESA-N 396.856 3.214 5 40 GGBB O=C(c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1)N1CCCc2ccccc21 10187983 KIPWOTDKJIQGQH-UHFFFAOYSA-N 389.411 3.398 5 40 GGBB Cc1ccc(C(=O)[C@@H]2Sc3nnc(C)n3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 3270755 BQYJONJSXAWBKD-SJLPKXTDSA-N 395.444 3.445 5 40 GGBB COc1ccc(OS(=O)(=O)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c1 14253904 NWBRZMIXJLRTHT-UHFFFAOYSA-N 393.295 3.270 5 40 GGBB COc1ccc(C)cc1-n1nnnc1SCCOc1cccc([N+](=O)[O-])c1 40127189 AKXIPZKCXWDZFQ-UHFFFAOYSA-N 387.421 3.059 5 40 GGBB Cc1c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cccc1[N+](=O)[O-] 3444178 MPKAFGGDMUFGCV-UHFFFAOYSA-N 380.303 3.300 5 40 GGBB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 11443391 SJIIALQUXGBVLK-SECBINFHSA-N 396.856 3.403 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C 3480213 HOCBRFHCTWEXHL-UHFFFAOYSA-N 393.783 3.191 5 40 GGBB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])cc2)n1 6049073 KZPJTYJFSXEADL-UHFFFAOYSA-N 394.387 3.193 5 40 GGBB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 89919286 VVFLURVYGIEGDJ-BDJLRTHQSA-N 399.241 3.209 5 40 GGBB CCc1ccc(-c2nn3c(CCCC(=O)O)nc4ccccc4c3nc2=O)cc1 89286421 LNXLWFOBDIUYOX-UHFFFAOYSA-N 388.427 3.274 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)CCc1ccc(O)cc1)[N+](C)(C)CC3)OCO2 1280308 AWKXAOFEYOIQGV-LJQANCHMSA-O 398.479 3.395 5 40 GGBB biogenic Cc1ccc(C(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 3270760 BQYJONJSXAWBKD-WMZOPIPTSA-N 395.444 3.445 5 40 GGBB CCCCC[C@H]1C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 4600874 WORCYIYHCAMEQJ-WFASDCNBSA-N 393.465 3.310 5 40 GGBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 6238423 MSEFVXNWZAWHCW-UHFFFAOYSA-N 392.824 3.333 5 40 GGBB COC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 6624617 QMOOGRLOGHKXIR-UHFFFAOYSA-N 388.379 3.396 5 40 GGBB biogenic CNS(=O)(=O)c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 7737543 MLNHGKRGZKMVJQ-UHFFFAOYSA-N 381.460 3.264 5 40 GGBB O=C(COc1c(Cl)cccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 9388625 DZUNNEXAYCGNFP-AWEZNQCLSA-N 385.203 3.130 5 40 GGBB CCCCc1ccc(-n2nnnc2Sc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 9592428 GKFCHMRREJHGNA-UHFFFAOYSA-N 398.448 3.163 5 40 GGBB O=C(c1cc(-c2ccccc2)on1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31414800 PJGFNVUYHIOVOJ-UHFFFAOYSA-N 378.388 3.212 5 40 GGBB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534525 WOZNVULNTANAFH-QGZVFWFLSA-N 383.408 3.225 5 40 GGBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 6615184 SCGYZIXIYVXJSS-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB CC(C)(C)c1ccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)cc1[N+](=O)[O-] 12914296 ZAKXGVRVNLUAIV-UHFFFAOYSA-N 381.388 3.486 5 40 GGBB O=C(Nc1nccs1)c1cc(C(=O)Nc2nccs2)cc([N+](=O)[O-])c1 13941911 JZZBUBNSBLFJQW-UHFFFAOYSA-N 375.391 3.012 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)cc1[N+](=O)[O-] 4891201 WPGKQDZDRVOOQO-UHFFFAOYSA-N 386.389 3.390 5 40 GGBB COc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])c1 5670296 IQHHPVRREVBZKS-UHFFFAOYSA-N 381.728 3.183 5 40 GGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ncc(Cl)cc1Cl 5752891 XVTOXQDPTRICSJ-UHFFFAOYSA-N 384.175 3.021 5 40 GGBB Nn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 40122869 LDXWPESRCJAGPP-UHFFFAOYSA-N 391.840 3.392 5 40 GGBB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])c(F)cc1F 40152361 HORXTEMSMFTIBT-MRXNPFEDSA-N 397.378 3.432 5 40 GGBB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 10716786 RVAMQMUGSPXLOU-SECBINFHSA-N 392.751 3.161 5 40 GGBB NC(=O)c1ccc(N2CCN(Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1 28620177 WWGFWWDFXSOMNE-UHFFFAOYSA-N 396.472 3.231 5 40 GGBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2404062 BUUDTUDKWXKGRK-KGLIPLIRSA-N 377.448 3.444 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(Cc1cccs1)C[C@@H]1CCCO1 27959412 DAFJODJHIVDSLL-AWEZNQCLSA-N 396.490 3.335 5 40 GGBB CC(C)Oc1cccc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 13674630 JWYJNUAPNKYUNS-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)Nc1ccc(Cl)cc1 5401066 VDEOLORJLVYNBC-UHFFFAOYSA-N 384.779 3.111 5 40 GGBB O=C(NCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1 4579503 NXNPJDWXQSTHLK-QGOAFFKASA-N 391.383 3.275 5 40 GGBB Cc1ccc(N2C(=O)C[C@]3(CC(c4cccc([N+](=O)[O-])c4)=NO3)C2=O)cc1C 5324506 DFNFDZCBROLNTF-HXUWFJFHSA-N 379.372 3.038 5 40 GGBB Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1C 7238992 ZWLKJHJERJGGMD-UHFFFAOYSA-N 392.433 3.025 5 40 GGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)cc1)S(C)(=O)=O 13713536 WODFEQRGYPVIHW-QGZVFWFLSA-N 391.449 3.087 5 40 GGBB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)OCc1ccccc1[N+](=O)[O-] 21868447 HBBAOIHFNKKXRF-UHFFFAOYSA-N 385.372 3.462 5 40 GGBB Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc12 32928712 KUIYWZNFCSLNQV-UHFFFAOYSA-N 397.431 3.120 5 40 GGBB O=c1c2cc3c(=O)n(Cc4ccncc4)ccc3nc2ccn1Cc1ccccc1 40398775 XDLMQRHAFGXFGF-UHFFFAOYSA-N 394.434 3.203 5 40 GGBB C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408756695 UBHOYBLDLPBBIQ-WKRCXCSHSA-N 376.368 3.095 5 40 GGBB O=C1N/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc(Cl)cc1 409245341 REATXZSFPKBDAZ-XGICHPGQSA-N 387.735 3.074 5 40 GGBB CCOC(=O)c1sc2ncn3nc(-c4ccccc4[N+](=O)[O-])nc3c2c1C 2788013 NKYTXRHOFGSWRB-UHFFFAOYSA-N 383.389 3.399 5 40 GGBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccccc1 5508591 HUWHBVAWGPAWLY-GFCCVEGCSA-N 376.796 3.452 5 40 GGBB CN(Cc1cc(Cl)cc(Cl)c1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 83862023 BLKLGKLXTNIJGS-UHFFFAOYSA-N 390.248 3.185 5 40 GGBB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cc([N+](=O)[O-])ccc1O 33336063 QMMFJHJYOSUDJL-JYRVWZFOSA-N 389.161 3.407 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(SCC(C)C)s1 225459587 OTFZEUXIHWGFLH-UHFFFAOYSA-N 388.496 3.304 5 40 GGBB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc([N+](=O)[O-])cc1 4315109 DFEJGRFCHDEVSQ-UHFFFAOYSA-N 379.420 3.289 5 40 GGBB C[C@]12C[C@H](NC(=O)N1c1ccc3c(c1)OCCO3)c1cc([N+](=O)[O-])ccc1O2 4852823 WLZLCDXJAFUBBI-LIRRHRJNSA-N 383.360 3.136 5 40 GGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 27645761 USMAKGUTUFGNFX-UHFFFAOYSA-N 397.431 3.042 5 40 GGBB Cc1ccc(/C=C2/N=C(c3ccc(N4CCCC4=O)cc3)OC2=O)cc1[N+](=O)[O-] 96892228 XBYBLIDDHSYQCQ-GZTJUZNOSA-N 391.383 3.375 5 40 GGBB CC(C)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409137355 WBNQDJGAZAXCBB-UHFFFAOYSA-N 391.449 3.123 5 40 GGBB CCN(C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)c1ccccc1 5270808 DEOKARKAQSTQBB-UHFFFAOYSA-N 377.400 3.472 5 40 GGBB Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1[N+](=O)[O-] 5451140 BAQBQNLYUYOTSK-UHFFFAOYSA-N 384.779 3.355 5 40 GGBB Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 8480337 NPDMUVQAIVAGJU-UHFFFAOYSA-N 391.449 3.088 5 40 GGBB COc1ccc(C(=O)CSCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 9261853 NSCDRBYVYCVFFL-UHFFFAOYSA-N 375.402 3.263 5 40 GGBB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 12651672 VWOATUHOIAJERM-JDFRZJQESA-N 378.425 3.338 5 40 GGBB COc1cccc(N2C[C@H](C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)CC2=O)c1 12987385 FMDTYMGOYXEROZ-GDBMZVCRSA-N 397.431 3.176 5 40 GGBB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 69209373 UFYIEKJQBYEGCH-FIKMYACPSA-N 387.480 3.376 5 40 GGBB CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2c(OC)ccc(OC)c21 100908623 DXWJMZLWBRPZNK-HNENSFHCSA-N 387.417 3.389 5 40 GGBB O=C(CCC(=O)N1CCC(c2ccccc2)=N1)Nc1ccc(F)c([N+](=O)[O-])c1 15592290 DKEZEPVHRSLEEN-UHFFFAOYSA-N 384.367 3.089 5 40 GGBB CN(CCOc1ccccc1Cl)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 32788953 UFLHTLHDBIHWTD-UHFFFAOYSA-N 392.795 3.170 5 40 GGBB O=C(COC(=O)c1csc2c1CCCC2)Nc1ccc(F)cc1[N+](=O)[O-] 7016480 DEDHLQAXHVOIRH-UHFFFAOYSA-N 378.381 3.470 5 40 GGBB Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cccc1[N+](=O)[O-] 16250146 AYUZZOKBSVVHEI-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 46243573 MHQGQSMSKSXNCN-UHFFFAOYSA-N 388.445 3.492 5 40 GGBB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 16449407 POQQYFWYDFJPRV-UHFFFAOYSA-N 394.339 3.480 5 40 GGBB Cc1c(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cccc1[N+](=O)[O-] 40116524 QKXTYDGLSXLAPU-GOSISDBHSA-N 375.331 3.149 5 40 GGBB CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(Oc3ccc([N+](=O)[O-])cc3)coc2c1 2132607 OLZOYMMYCAOYHJ-UHFFFAOYSA-N 399.311 3.344 5 40 GGBB biogenic O=C(OCc1csc(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1NCCO 5851753 GPJHDLCLXUEQBM-UHFFFAOYSA-N 399.428 3.480 5 40 GGBB CCOC(=O)C1=C(C)Nc2nc(C(F)(F)F)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 8770377 SVPPHCWUCSNZRW-GFCCVEGCSA-N 397.313 3.057 5 40 GGBB CC(C)(C)c1csc(NC(=O)CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 32801937 ILGXTBYEPJFMPG-RMKNXTFCSA-N 388.449 3.117 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 39357392 GAVJZOPCSSTTKV-PBHICJAKSA-N 389.820 3.457 5 40 GGBB Cc1cc(Br)c(NC(=O)Cn2cc([N+](=O)[O-])nc2C)cc1Cl 95943465 SXAZVJGMPAURBO-UHFFFAOYSA-N 387.621 3.463 5 40 GGBB Cc1noc(/C=C\c2cc(Br)ccc2OCC(=O)O)c1[N+](=O)[O-] 408544476 UBAKFCHRFQKFGM-RQOWECAXSA-N 383.154 3.288 5 40 GGBB CC[C@@H](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 24754690 VBDIPNFYUAFAEU-FZKQIMNGSA-N 396.399 3.349 5 40 GGBB COc1ccccc1OC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 13135221 AGRLULUALFEOJM-UHFFFAOYSA-N 386.389 3.102 5 40 GGBB C[C@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 5427662 IXOWCRFZRRSUTC-LRDDRELGSA-N 378.392 3.232 5 40 GGBB CNC(=O)c1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 14729728 ZODSOSORJKDMFQ-UHFFFAOYSA-N 385.423 3.153 5 40 GGBB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)cc1[N+](=O)[O-] 408624872 CXIVKMAOKHBIPK-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408598123 XDOGEDKLZSTWCX-UHFFFAOYSA-N 391.449 3.151 5 40 GGBB Cc1ccc2c(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc(=O)oc2c1C 4434046 DVHYFGCOZWVKCG-UHFFFAOYSA-N 378.340 3.114 5 40 GGBB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cccc([N+](=O)[O-])c1C)cn2C 22237373 XXZXSMOOLHUXNM-UHFFFAOYSA-N 381.388 3.406 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1OCC(=O)NCC1(c2ccccc2)CCOCC1 48374521 UXOINSGUOWQKTQ-UHFFFAOYSA-N 384.432 3.147 5 40 GGBB CC(C)NC(=O)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 8706513 XEKLELXKFWMNQC-UHFFFAOYSA-N 399.426 3.029 5 40 GGBB COc1cc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 219826157 ZYZJCKGNGBVYCK-OAHLLOKOSA-N 386.404 3.401 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2 5406656 FJWOPUYMOOOTOG-GFCCVEGCSA-N 386.404 3.256 5 40 GGBB O=C(COc1cc(Cl)ccc1Cl)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 14017629 UJKYOYBLHMEWPH-CQSZACIVSA-N 385.203 3.130 5 40 GGBB O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCCc2cc(F)c(F)cc21 84338817 PFWDWTIUWWELHD-UHFFFAOYSA-N 376.315 3.237 5 40 GGBB COc1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)cc1SC 78939964 BRFFXZBJZBVWGR-GOSISDBHSA-N 394.449 3.173 5 40 GGBB CCn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 6226127 FTPNPFRHTPAFSU-UHFFFAOYSA-N 397.460 3.429 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(O)c1 24742916 JYRRLLASRDIFMX-UHFFFAOYSA-N 375.812 3.225 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 48367299 OPDAKVQVRWTZOZ-UHFFFAOYSA-N 392.311 3.303 5 40 GGBB Cc1nn(CC(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] 48366976 YFURGAQPPJJZDF-AWEZNQCLSA-N 385.468 3.421 5 40 GGBB COc1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=O)cc1 4738657 WKFSIWOCWXVYMZ-DOTOQJQBSA-N 385.401 3.186 5 40 GGBB O=c1c2cnn(-c3ccc([N+](=O)[O-])cc3)c2ncn1Cc1ccccc1Cl 32801739 SKYQHKZUSRKGBK-UHFFFAOYSA-N 381.779 3.192 5 40 GGBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 12634425 JGMSZKKDSPIVAG-UHFFFAOYSA-N 399.491 3.378 5 40 GGBB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011621 AFRWWXZMNYRDLR-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB COc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1[N+](=O)[O-] 264222929 WIXWHXODBUBGFK-UHFFFAOYSA-N 395.459 3.266 5 40 GGBB COc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1OC 408528320 DSWLIHWQCDSRML-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB O=C1Nc2ccccc2/C1=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 409310498 VHXGIZJKRXXKSQ-PFONDFGASA-N 381.369 3.154 5 40 GGBB CC1CCN(CCCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 22610423 HEWRQMASWKDMMI-UHFFFAOYSA-N 391.515 3.393 5 40 GGBB CCCC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4310071 FWKSUTIERCJPKQ-KRWDZBQOSA-N 381.388 3.388 5 40 GGBB CCc1ccc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1[N+](=O)[O-] 96007025 VUDCOAOEFRYYNY-FQEVSTJZSA-N 397.475 3.044 5 40 GGBB COC(=O)C[C@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1 16139288 AKEAGQPYSSJJEC-KRWDZBQOSA-N 383.404 3.203 5 40 GGBB CCOC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C 13673677 HTMDSCWXXRGWIN-UHFFFAOYSA-N 378.406 3.189 5 40 GGBB CC(C)(C)OC(=O)[C@H](CCCC[N+](C)(C)[O-])NC(=O)OCc1ccccc1 504710760 KAVBFDNGFOOVNH-KRWDZBQOSA-N 380.485 3.368 5 40 GGBB in-vitro Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2711650 SRUHVMSRLCGWMW-UHFFFAOYSA-N 391.474 3.197 5 40 GGBB Cc1ccc(C(=O)NCCOc2ccc(-c3cccs3)nn2)cc1[N+](=O)[O-] 9853296 OGQJFCIBJSECTO-UHFFFAOYSA-N 384.417 3.231 5 40 GGBB CN(C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 10335604 LGCAIAPGGCNUBN-LJQANCHMSA-N 399.472 3.329 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)CNC2=NC=N[C@@H]3SC=C(c4ccccc4)[C@H]23)cc1 106934738 WMVAHRNVLNIZOC-QWFCFKBJSA-N 394.456 3.388 5 40 GGBB CCOc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 6508899 DHNHUESOPHQPOA-CQSZACIVSA-N 383.404 3.294 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 7069426 CUKOYVFVUFYGBA-OAHLLOKOSA-N 381.432 3.484 5 40 GGBB COC(=O)c1cc(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc([N+](=O)[O-])c1 16110243 DQLQQRPSJOYOSL-HNNXBMFYSA-N 390.392 3.487 5 40 GGBB CC(C)(C)NS(=O)(=O)c1ccc(N[C@H]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 84199595 ARZYNIWWDDXLFY-HIFRSBDPSA-N 399.513 3.025 5 40 GGBB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224669948 YUMIPNGMDWAQIZ-KRWDZBQOSA-N 397.475 3.389 5 40 GGBB O=C(OCc1ccccc1[N+](=O)[O-])C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 22192959 GBUINVQFSANZSS-UHFFFAOYSA-N 395.820 3.298 5 40 GGBB Cc1cc(=O)c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 32778164 FFSRSMCPTURCJE-OAHLLOKOSA-N 392.415 3.282 5 40 GGBB O=C(COc1ccc(F)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25017820 WIYANALMYYVFSL-UHFFFAOYSA-N 393.802 3.115 5 40 GGBB CCn1c(=O)c2ccccc2n2c(COc3ccc(Cl)cc3[N+](=O)[O-])nnc12 29421986 XUHFCQIFSGGMLG-UHFFFAOYSA-N 399.794 3.205 5 40 GGBB Cn1c(CCN2CCCC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 5207963 BIJZOXDGEWVMCT-UHFFFAOYSA-N 393.447 3.372 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2cccc(C)c2)n[nH]1 20051087 JNVFXWDWLRFPIG-UHFFFAOYSA-N 399.432 3.428 5 40 GGBB O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])o2)C1=O)Nc1ccccc1F 408931599 NSNRQPJPZGJQMR-GHXNOFRVSA-N 391.336 3.002 5 40 GGBB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224706860 CXBDXRRSVSQYGU-QGZVFWFLSA-N 397.475 3.389 5 40 GGBB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 10337724 IRSVPFBSWXTLNP-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 8412510 DXYKITYIRNEQOW-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 8416318 XEQJGZZYIYHDLY-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccc(C[C@@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 48287969 UGANMCUCLAPESX-IBGZPJMESA-N 383.448 3.273 5 40 GGBB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 11082895 WFGCKEYJXQZMIB-UHFFFAOYSA-N 393.447 3.178 5 40 GGBB COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2c(C)cc(C)cc2C)c1 2570699 HPZIZPLOAKSDGV-UHFFFAOYSA-N 379.390 3.074 5 40 GGBB CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128349 SCWWAYWLUYOKRM-ANTHHZPCSA-N 389.408 3.050 5 40 GGBB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225041758 ZEHZOHXFYVCIPN-QGZVFWFLSA-N 397.475 3.123 5 40 GGBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 224760293 KVSZANXJFFFBOV-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB Cc1cccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)c1[N+](=O)[O-] 14085771 FJQKFZQITMDLSP-UHFFFAOYSA-N 381.310 3.448 5 40 GGBB O=[N+]([O-])c1ccccc1NCCNc1ncnc2c1cnn2-c1ccc(F)cc1 9220922 ITWPDFVXSMUUON-UHFFFAOYSA-N 393.382 3.387 5 40 GGBB O=[N+]([O-])c1cc2c(c(CS(=O)(=O)C/C=C/c3ccccc3)c1)OCOC2 72274671 JXQWRDFVYNRBKP-QPJJXVBHSA-N 375.402 3.090 5 40 GGBB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccccc1[N+](=O)[O-] 218163253 RDRGKRNTVWSMDC-UHFFFAOYSA-N 386.795 3.499 5 40 GGBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 12629967 SZOJYJQBSZGWFE-GFCCVEGCSA-N 381.348 3.180 5 40 GGBB O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1 14944046 KUZCHZKKNIWBBN-UHFFFAOYSA-N 382.401 3.076 5 40 GGBB COc1ccc([C@H]2C=C(c3ccc([N+](=O)[O-])cc3)Nc3ncnn32)cc1OC 100968116 QMBSBCLJJDIACE-MRXNPFEDSA-N 379.376 3.260 5 40 GGBB CC(=O)N(c1nnc(SCCOc2ccccc2[N+](=O)[O-])s1)C1CC1 48363859 TXTQTJYSAKDOKX-UHFFFAOYSA-N 380.451 3.133 5 40 GGBB CSCC[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc2ccccn12 8988174 GUZZRWVJLFQCNJ-CQSZACIVSA-N 386.437 3.253 5 40 GGBB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2)N1C(C)=O 2095187 KESMRDQTEMEIAJ-QUCCMNQESA-N 393.399 3.112 5 40 GGBB biogenic O=C(Cc1ccccc1[N+](=O)[O-])NCCCNc1ccc(C(F)(F)F)cn1 32911961 XKSBWGBLWWLIHZ-UHFFFAOYSA-N 382.342 3.170 5 40 GGBB CCOC(=O)[C@H](C)N(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 82170007 WHFQMWWYMCNLAW-AWEZNQCLSA-N 392.433 3.050 5 40 GGBB Cc1ccc(Cl)cc1N(CC(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081958 OLTXMIPTKOCNGW-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 32721982 UPMYLCWPXYUDPY-UHFFFAOYSA-N 378.388 3.116 5 40 GGBB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 20062763 SMTAJCDUVFXSEW-UHFFFAOYSA-N 383.813 3.262 5 40 GGBB O=C(COc1ccc(Cl)cc1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 6550782 HDLHJUZCVYQFSI-UHFFFAOYSA-N 378.768 3.427 5 40 GGBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224977391 MMJVRMLVIJJXBH-SJORKVTESA-N 397.475 3.469 5 40 GGBB O=C(C[C@H]1SC(=O)N(Cc2ccccc2)C1=O)Nc1cccc([N+](=O)[O-])c1 12136853 CQTLFVYNMWBULK-OAHLLOKOSA-N 385.401 3.188 5 40 GGBB CCCCCN(CCCCC)C[C@@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1 6398414 UFUSSAOAZXTAMK-QGZVFWFLSA-N 381.521 3.369 5 40 GGBB Cc1cccc(NC2=N[C@@H](c3cccc([N+](=O)[O-])c3)n3c(nc(C)cc3=O)N2)c1 7496335 GWBXPVTZMPCOQP-GOSISDBHSA-N 390.403 3.209 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-] 105393776 XSJGELTWJJLYBO-UHFFFAOYSA-N 396.699 3.326 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4703975 XOLISACMFUKIHP-UHFFFAOYSA-N 386.364 3.364 5 40 GGBB COc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 21625201 LRKGBJJHQKOCIL-SFHVURJKSA-N 397.431 3.005 5 40 GGBB COc1cc([C@@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)ccc1O 4629531 QHEDPQYRFGUOCC-ZDUSSCGKSA-N 381.344 3.140 5 40 GGBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 16196609 ABZIWLPVZPNYTD-LBPRGKRZSA-N 386.429 3.451 5 40 GGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(C(=O)CCC2CCCC2)CC1 30393855 FNVAZHWZOSWOLI-ZRDIBKRKSA-N 385.464 3.249 5 40 GGBB Cc1cc(C)c(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(Cl)c1 4563927 UBEOGZIBHSYACJ-UHFFFAOYSA-N 386.795 3.214 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccc(F)cc2)c1 10187847 VXPOFZQGRNKNMY-UHFFFAOYSA-N 397.362 3.205 5 40 GGBB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 7564764 RHHQVNOGKANVFJ-MRVPVSSYSA-N 378.341 3.496 5 40 GGBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 8469955 ZJHFTVQROOUTJV-UHFFFAOYSA-N 395.843 3.476 5 40 GGBB Cc1ccc(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)cc1[N+](=O)[O-] 408580585 CRFAUTQCGWBWFL-UHFFFAOYSA-N 383.433 3.343 5 40 GGBB O=[N+]([O-])c1ccc(OCc2nn3c(CN4CCCCCC4)nnc3s2)cc1 71260603 GIETZJNVSPMFLS-UHFFFAOYSA-N 388.453 3.049 5 40 GGBB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224771841 UETGJANZOOVYJB-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2ccccc2Br)cc1[N+](=O)[O-] 224773428 MKFNCLDERZZKBU-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB COCCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc(C)c1C 32893943 AWPXPARSNKIWOA-UHFFFAOYSA-N 398.872 3.439 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(=O)n(Cc2ccccc2)n1 25830420 IOZCGTBTWGXAGK-OAHLLOKOSA-N 392.415 3.033 5 40 GGBB COc1cc(C(=O)NCc2ccccc2CN2CCCC2)c([N+](=O)[O-])cc1OC 8935821 AMUKDHXQVYEQOH-UHFFFAOYSA-N 399.447 3.138 5 40 GGBB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895458 AYXVELBWGXTTDA-GOSISDBHSA-N 381.432 3.239 5 40 GGBB COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 6948417 ZTXTXWCYRXFQAT-UHFFFAOYSA-N 395.824 3.087 5 40 GGBB COc1ccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c([N+](=O)[O-])c1 5357609 YWNPXRXDQIYWPK-UHFFFAOYSA-N 395.371 3.256 5 40 GGBB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 7184450 GYCWQRHWPUIUPQ-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB COc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1 10187937 OADJHYZOXWPXMK-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB CC[C@@H](C)Nc1nc2nc3c(C)cccn3c(=O)c2cc1C(=O)NC1CCCC1 4520323 WRGUAXREFLQEBQ-CQSZACIVSA-N 393.491 3.434 5 40 GGBB Nc1ccccc1[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5589856 DNWUPABNMFWQBI-IBGZPJMESA-N 383.429 3.245 5 40 GGBB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1 6238101 RAWYKXOVJAWCKZ-UHFFFAOYSA-N 385.401 3.319 5 40 GGBB COC(=O)CCSc1ncccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 96012170 WHMFNBTWTLCURC-UHFFFAOYSA-N 375.406 3.206 5 40 GGBB Cn1sc2ccccc2c1=S=NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6861522 BPTHQGWMVRTFEL-UHFFFAOYSA-N 381.460 3.335 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](C(=O)N2CCc3ccccc3C2)C1 1457823 GAQXBXLUKRCUHM-LJQANCHMSA-N 393.443 3.032 5 40 GGBB C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N(C)C 10537907 MVZVDWOLXFUMJM-ZDUSSCGKSA-N 397.460 3.411 5 40 GGBB CCCCCN(CCCCC)C[C@H](C)NC(=O)c1nn(C)c(C)c1[N+](=O)[O-] 6398466 OGNVBRFBPQLETQ-HNNXBMFYSA-N 381.521 3.437 5 40 GGBB O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)[C@H]1C[C@H]1[N+](=O)[O-] 65550095 AUOHDGYPOJVBSW-QWHCGFSZSA-N 378.182 3.240 5 40 GGBB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)cc1 14188694 GPVHAADUMWVBKZ-UHFFFAOYSA-N 395.371 3.379 5 40 GGBB COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cc(F)ccc1F 69387049 LGDVBRRADIJBKX-KRWDZBQOSA-N 398.749 3.345 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1073330 MJLXVWODQHIBLF-KRWDZBQOSA-N 381.388 3.265 5 40 GGBB CCCOc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410786 HPHIXTYIHWJELC-UHFFFAOYSA-N 385.420 3.473 5 40 GGBB COC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccc(Cl)cc12 5695454 NCKODXCRVXDCEZ-UHFFFAOYSA-N 378.775 3.317 5 40 GGBB Cc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1N1CCCC1=O 20453905 KORLFRKHLSOIDD-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB CCOC(=O)c1ccccc1N(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225075922 VEYFHOOBTWNDPV-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB COc1cccc(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 223408350 UKHQTBSGKYBZKO-UHFFFAOYSA-N 376.434 3.032 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNC(=S)Nc2ccc(OC(F)F)cc2)cc1 6332207 QYJVXRZZKLYMEL-AWEZNQCLSA-N 383.376 3.216 5 40 GGBB COCc1c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)oc2ccccc12 31256529 YDQGAPKTWRTHQU-UHFFFAOYSA-N 395.415 3.450 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12 4580911 MTYSIDUVAKUTAF-UHFFFAOYSA-N 391.424 3.353 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4674687 UBVIKUNFVQUFFS-KRWDZBQOSA-N 393.321 3.025 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@H](O)CSc2nccn2-c2cccc(F)c2)c1 12547680 HLJUAJNFAGMGCL-INIZCTEOSA-N 389.408 3.452 5 40 GGBB Cc1c(C(=O)NCc2n[nH]c(=S)n2-c2ccc(F)cc2)cccc1[N+](=O)[O-] 13524407 DYHMYOOBERFDCN-UHFFFAOYSA-N 387.396 3.216 5 40 GGBB C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CCN(c2ccccc2O)CC1 15378375 LJBJDVVWZLQVER-AWEZNQCLSA-N 395.419 3.234 5 40 GGBB CCOc1ccccc1Nc1c([N+](=O)[O-])nn(-c2cccc(Cl)c2)[n+]1[O-] 16693532 DMEPYUBOCZLWBO-UHFFFAOYSA-N 375.772 3.210 5 40 GGBB C[C@@H]1CCC2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 20034225 HYTMHLQACCRLDO-CKUKBARFSA-N 385.342 3.023 5 40 GGBB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 30426659 NSXFWEQEPHKDGB-ZDUSSCGKSA-N 382.463 3.363 5 40 GGBB O=C1CCCN1CCCN1COc2ccc3c(oc(=O)c4ccccc43)c2C1 57135157 QGAPVOXNRCKFKA-UHFFFAOYSA-N 378.428 3.111 5 40 GGBB Nc1nc(NCC2(c3cccc(Br)c3)CCC2)ncc1[N+](=O)[O-] 60452458 BCGCOHVGQQCOFO-UHFFFAOYSA-N 378.230 3.263 5 40 GGBB Cc1ccccc1-c1noc(-c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 8587065 RAKBZZYCUZZSGR-UHFFFAOYSA-N 379.420 3.372 5 40 GGBB aggregator Cc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 24495167 LPTBHPISANTYHW-MRXNPFEDSA-N 386.404 3.422 5 40 GGBB COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1 12994849 WRJUEHXZBWOZRG-QGZVFWFLSA-N 385.420 3.048 5 40 GGBB CCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 6246676 PHQSLXBIYRPMRW-UHFFFAOYSA-N 383.404 3.104 5 40 GGBB COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl 6846099 FEROWHPSCDBHPZ-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1cc([N+](=O)[O-])ccc1Cl 225093403 PCCWGNZABRXNAJ-UHFFFAOYSA-N 385.785 3.290 5 40 GGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 26826392 MRSJBSHLMOBYSH-SFHVURJKSA-N 388.420 3.202 5 40 GGBB biogenic CCN1CCN(c2cc(N3CCc4ccccc4C3)c([N+](=O)[O-])cc2F)CC1 4624610 PSWOCJAFXWUZJF-UHFFFAOYSA-N 384.455 3.439 5 40 GGBB C[C@@H](OC(=O)c1cccc(N2CC=CC2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 101440605 XCTHTAASDBGCEY-CQSZACIVSA-N 381.388 3.155 5 40 GGBB CCn1c(Sc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])nc2ccccc21 18900577 LLQXQUZUJGWFDV-UHFFFAOYSA-N 392.462 3.024 5 40 GGBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(Br)cc2F)c1 20041672 MNWBKEPNDKTKOD-UHFFFAOYSA-N 389.202 3.438 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 104239402 DCYOIZABNOOFMO-HUUCEWRRSA-N 396.447 3.352 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1ccc(OC)c(F)c1 25321062 GPYQFVDBJWEANZ-UHFFFAOYSA-N 391.399 3.073 5 40 GGBB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc([N+](=O)[O-])cc3)c12 22606783 BSFLERLBGZSIHO-UHFFFAOYSA-N 399.410 3.456 5 40 GGBB O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@H]1CCCO1 9118089 PVZISDJWMUWUAV-BLVKFPJESA-N 397.387 3.069 5 40 GGBB O=[N+]([O-])c1cc2c(c(CN3c4cccc5cccc(c45)S3(=O)=O)c1)OCOC2 5293227 OLYVPMVYSUOOFA-UHFFFAOYSA-N 398.396 3.323 5 40 GGBB Cc1noc2nc(C3CC3)cc(C(=O)NCCNc3ccc([N+](=O)[O-])cc3)c12 14529067 NCMCKIIZVVRHKR-UHFFFAOYSA-N 381.392 3.159 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2ccccc2nc1Cl 16757001 LTQLEPLPVYZVJV-UHFFFAOYSA-N 378.797 3.301 5 40 GGBB CC(C)(C)OC(=O)N[C@H](C(=S)n1nnc2ccc([N+](=O)[O-])cc21)C(C)(C)C 75629722 BOZHNCARKXYRTI-CYBMUJFWSA-N 393.469 3.454 5 40 GGBB O=C1NC(=S)N/C1=C\c1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1 7208864 KEGXQXFFWWNHGY-XFFZJAGNSA-N 375.793 3.386 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c2ccncc12 12643468 JLRSAVFFALTQCF-UHFFFAOYSA-N 390.443 3.400 5 40 GGBB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 14244957 RXVZMZIZWWXEPL-AWEZNQCLSA-N 399.407 3.282 5 40 GGBB Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1Cl 41076614 YCGLMXSBGBNSME-UHFFFAOYSA-N 382.763 3.049 5 40 GGBB CN1CCCN(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 58434999 VXCIOHRBUBKHMP-UHFFFAOYSA-N 396.491 3.265 5 40 GGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95958464 MMTRIKDCJRPHRC-CHWSQXEVSA-N 395.431 3.499 5 40 GGBB CC(=O)Nc1cccc(OC(=O)c2cc(F)c(N(C)C)c(F)c2)c1[N+](=O)[O-] 96028443 LDTFCGPEBKAICA-UHFFFAOYSA-N 379.319 3.117 5 40 GGBB O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 103618103 GESFOBMJOSOOIB-IEBWSBKVSA-N 387.351 3.041 5 40 GGBB COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 409254553 HZYBPFTZQRVJJG-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@@](=O)C2 2724992 ZJAGIAXVKDDWGY-NDEPHWFRSA-N 396.428 3.104 5 40 GGBB COc1ccc(N2C[C@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 2974595 QFHBAOZDWCEKCZ-NRFANRHFSA-N 382.440 3.254 5 40 GGBB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 4120109 GTIXZGCSAGPQSC-UHFFFAOYSA-N 385.401 3.069 5 40 GGBB Cn1cc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 5265621 LKCDNMPWOPYRHA-UHFFFAOYSA-N 379.420 3.441 5 40 GGBB CCOc1ccc2nc(Sc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])[nH]c2c1 7738636 GLFKCYVWAOAKEG-UHFFFAOYSA-N 393.446 3.425 5 40 GGBB COC(=O)c1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 8904289 IMGKKEGDIHKJDJ-UHFFFAOYSA-N 387.373 3.009 5 40 GGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)C(C)(C)C)CC1 10903861 CVPIBMAPEJQVCK-UHFFFAOYSA-N 395.887 3.491 5 40 GGBB O=c1ccc([N+](=O)[O-])cn1Cc1csc(COc2ccc(Cl)cc2)n1 12916454 CPTVMFARZSGNET-UHFFFAOYSA-N 377.809 3.494 5 40 GGBB O=[N+]([O-])c1cccc(OCCN2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 36394328 PYIYXQVOOQADBE-UHFFFAOYSA-N 396.369 3.210 5 40 GGBB O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)c1)c1ccc([N+](=O)[O-])o1 10059762 IWZPCFQGPRZNSI-UHFFFAOYSA-N 386.276 3.194 5 40 GGBB COc1ccc(C(=O)NCCOc2cccc(Br)c2)cc1[N+](=O)[O-] 58002953 GYIVMNOPRXUPDU-UHFFFAOYSA-N 395.209 3.175 5 40 GGBB O=C(NC(=S)Nc1ccccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627843 OIUZIJKDAMQOSQ-UHFFFAOYSA-N 388.424 3.461 5 40 GGBB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC 7050912 GYGFMCDBSUIQRQ-UHFFFAOYSA-N 396.421 3.202 5 40 GGBB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6238409 CELYTIVXIJEQSX-UHFFFAOYSA-N 392.824 3.333 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2cc(F)cc(F)c21 26725546 KOJDZSORFNUHRD-UHFFFAOYSA-N 377.347 3.273 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 45803363 QGDKVZDNIDFJKK-OAGGEKHMSA-N 375.469 3.004 5 40 GGBB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1cccc([N+](=O)[O-])c1 13009148 MUSAXDKFYZAWEX-UHFFFAOYSA-N 395.337 3.159 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 6226441 WYOJJHCBIAKRLO-UHFFFAOYSA-N 377.736 3.059 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 408739162 YTSFBYIKWSEYTQ-QGZVFWFLSA-N 397.387 3.170 5 40 GGBB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222754581 LKTPWQXFZCELFW-QZTJIDSGSA-N 379.445 3.383 5 40 GGBB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 5075910 MTJWEUIWSPXJMK-UHFFFAOYSA-N 389.433 3.004 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCc1ccccc1 5207248 NRBJJXITPSBPSP-UHFFFAOYSA-N 376.434 3.001 5 40 GGBB Cc1ccc(C(=O)CSc2nnnn2-c2c(C)cccc2C)cc1[N+](=O)[O-] 8394020 HRBXWVSTJRCUPJ-UHFFFAOYSA-N 383.433 3.471 5 40 GGBB Cc1ccc([C@@](O)(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 12800236 XKDXKCLLDKILCB-HNNXBMFYSA-N 387.314 3.458 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C=C[C@@H]2C12CC2 100171733 YIYRSRIZYGXCCZ-NUZBWSBOSA-N 389.205 3.059 5 40 GGBB O=C(O)c1ccc(-c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 226353821 GHTRZIKNNNULSY-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB O=C1C[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N2NC=NC2=N1 409376619 BUWGCJSZHGTJCN-OAHLLOKOSA-N 399.794 3.003 5 40 GGBB CSc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1 12563823 ZKADVOZEJAIJHA-UHFFFAOYSA-N 383.524 3.084 5 40 GGBB COC[C@@H](C)NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 12848748 PMOZZCFEHGLUKT-OAHLLOKOSA-N 394.431 3.141 5 40 GGBB O=[N+]([O-])c1ccc(-c2n[nH]c(SC3=CS(=O)(=O)c4ccccc43)n2)cc1 14608584 QARCNOGAGMXDDQ-UHFFFAOYSA-N 386.414 3.258 5 40 GGBB C[C@@H]1Oc2ccc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)cc2NC1=O 7314260 CKBGFLWJPJWKNC-JTQLQIEISA-N 382.376 3.141 5 40 GGBB COc1cc(NC(=O)CSc2n[nH]c(-c3ccccc3)n2)ccc1[N+](=O)[O-] 408559236 YOAKAGPFPVFSIC-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB CNc1cc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)ccc1[N+](=O)[O-] 13632939 JCAWCAPKHPTATC-UHFFFAOYSA-N 380.404 3.345 5 40 GGBB CCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17081442 PDQYRMDBJSLUOW-UHFFFAOYSA-N 398.419 3.032 5 40 GGBB CNC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 805427 LZSFXFQRZGRNFX-AQTBWJFISA-N 391.383 3.372 5 40 GGBB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)cc1 4973942 FJDJLARYDLWCCO-UHFFFAOYSA-N 396.407 3.066 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 5328898 SNMFNCHAQAZWEU-UHFFFAOYSA-N 397.391 3.045 5 40 GGBB Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1[N+](=O)[O-] 8983819 GYXCVRHQHDCDCZ-ZDUSSCGKSA-N 387.823 3.340 5 40 GGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1[N+](=O)[O-] 16347838 WBGHMXVWHKTNHY-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB Cc1cccc(-c2noc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)c1 29696515 JUIVJJJMJAYMQE-UHFFFAOYSA-N 379.420 3.275 5 40 GGBB O=C(NCCNc1cnccn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 48300606 ZPTATJSPVLNTMV-UHFFFAOYSA-N 379.376 3.019 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 226694330 YIFWIYGNJAJPNK-ZHMYYEFOSA-N 377.194 3.059 5 40 GGBB O=[N+]([O-])c1ccc(Oc2ccc(/C=C/c3nc(O)nc(O)c3[N+](=O)[O-])cc2)nc1 409310662 CDHAIBSUXGXBLA-XVNBXDOJSA-N 397.303 3.062 5 40 GGBB Cc1cccc(C(=O)OCC(=O)c2csc(N3CCCCC3)n2)c1[N+](=O)[O-] 3437472 RXXLBMLMXWMURB-UHFFFAOYSA-N 389.433 3.390 5 40 GGBB COc1cc2c(cc1OC)C(Cc1cc(OC)c(OC)cc1[N+](=O)[O-])=NCC2 5004201 SXTYDIOXCPSMPL-UHFFFAOYSA-N 386.404 3.217 5 40 GGBB Cc1c(C(=O)NC(=S)Nc2ccc(Br)cn2)cccc1[N+](=O)[O-] 12621551 LFHNTUWAEGICIL-UHFFFAOYSA-N 395.238 3.188 5 40 GGBB Cc1nc(NC(=O)CCNc2ccccc2[N+](=O)[O-])sc1-c1nccn1C 25455371 BCHYTGXQXRHNOI-UHFFFAOYSA-N 386.437 3.201 5 40 GGBB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222754801 QASJKLPKWWCPOK-ZWKOTPCHSA-N 379.445 3.383 5 40 GGBB COc1cc2ccccc2cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 408629111 ZLWXRRPFLXBMBQ-UHFFFAOYSA-N 396.428 3.388 5 40 GGBB COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)c1ccc(-c2ccccc2)cc1 582078487 MMGPTZMASIFHTB-INIZCTEOSA-N 394.387 3.019 5 40 GGBB C[C@H]1CN(C(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 106073135 QGDKVZDNIDFJKK-OWCLPIDISA-N 375.469 3.004 5 40 GGBB CCOc1ccccc1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 3239057 RVKALMCQEZAJPU-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)cc1 11542548 NXSGQBURGOJMIA-UHFFFAOYSA-N 380.447 3.363 5 40 GGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3514117 VDPWCINIHBQSHK-SECBINFHSA-N 392.751 3.161 5 40 GGBB Cc1ccc(/C=C/c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 4318633 JUXDRJBUHXGWJL-JUBDITTISA-N 390.424 3.086 5 40 GGBB O=C(N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl 70461924 BNUCCCYWZSJPDB-UHFFFAOYSA-N 387.050 3.267 5 40 GGBB O=c1c2cc(Br)ccc2ncn1CCOc1cccc([N+](=O)[O-])c1 40116937 ZHGQIOCPUFRVJT-UHFFFAOYSA-N 390.193 3.146 5 40 GGBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCOCC1 25514816 USPWFJXZYJSGPH-BEFAXECRSA-N 384.436 3.178 5 40 GGBB COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2c(C)cc(C)cc21 100910571 XOQYTVLUYVQLIB-VXPUYCOJSA-N 399.428 3.142 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccc(Cc2ccncc2)cc1 4181394 KSNBUXDDWLLEJA-UHFFFAOYSA-N 394.412 3.142 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8291348 JAUDOKFOAABNKT-UHFFFAOYSA-N 391.449 3.186 5 40 GGBB CN(C)c1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc1[N+](=O)[O-] 12552033 UBQUVGRWVSOVSY-UHFFFAOYSA-N 377.784 3.338 5 40 GGBB COc1ccc(OC)c([C@H](C)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c1 40114969 SLHNQACQLVOGHJ-ZDUSSCGKSA-N 398.419 3.229 5 40 GGBB C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(N2CCOCC2)CCCC1 79064593 OXHHZILPMNFPPW-CYBMUJFWSA-N 396.875 3.403 5 40 GGBB Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1N1CCCC1=O 223644220 IXSPEEGZRAJZMF-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc([N+](=O)[O-])cc3)nn12 227144081 LTEGGFOMWYAGJW-UHFFFAOYSA-N 391.416 3.308 5 40 GGBB COc1cc(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)ccc1[N+](=O)[O-] 408555358 WTVIQUKCRKFNHC-UHFFFAOYSA-N 399.432 3.043 5 40 GGBB COc1cc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)ccc1[N+](=O)[O-] 408555626 HKOBJXXPBQRIBJ-UHFFFAOYSA-N 388.449 3.311 5 40 GGBB COC(=O)[C@H]1C[C@@]23C(=O)[C@H]4C[C@H]5[C@]2(C)[C@@H](CCC2=C3[C@H]1CC2)C[N@@+]5([O-])C[C@@H]4C 1077995387 DLTJWHRTAHFESH-XHYQAASVSA-N 385.504 3.224 5 40 GGBB biogenic CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(O)cc1 4349172 WQGXTHSWWBOFFX-UHFFFAOYSA-N 399.432 3.310 5 40 GGBB CCCC[C@@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 5597334 OGVUVMNULLGJOH-INIZCTEOSA-N 381.388 3.388 5 40 GGBB CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 47524086 GCSJOORJORCMOV-UHFFFAOYSA-N 383.832 3.378 5 40 GGBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409229067 JGVLUEJIBAAEET-WUXMJOGZSA-N 389.751 3.060 5 40 GGBB COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1[N+](=O)[O-] 6289392 KMSVUYTUURXVSE-UHFFFAOYSA-N 386.364 3.364 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 7928086 QVRBXRRXFCGLOV-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB COc1ccc([C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)C)cc1 57894991 JFOUDWYGXMZRSB-LJQANCHMSA-N 395.419 3.311 5 40 GGBB COCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3ccc(C)cc3)cnc21 5066320 VBQKUWBRFVHOQP-UHFFFAOYSA-N 399.454 3.298 5 40 GGBB CC(C)c1nnc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 16965915 LIESVBYZHSUVFE-UHFFFAOYSA-N 375.454 3.425 5 40 GGBB O=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)o1 226353859 FUFUAXQGDVPJIF-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 5181380 HKQDIDGWTJWFHA-UHFFFAOYSA-N 382.445 3.475 5 40 GGBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 5786083 RASNFXKKZCYGDY-HNNXBMFYSA-N 388.807 3.340 5 40 GGBB CC(=O)Nc1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 26461306 JNIYXFPLUBKRJX-UHFFFAOYSA-N 386.385 3.474 5 40 GGBB COc1cccc(-c2cc(C(F)(F)F)nc(-n3cc([N+](=O)[O-])c(OC)n3)n2)c1 2466136 VXYSLTCHNDBXRO-UHFFFAOYSA-N 395.297 3.274 5 40 GGBB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccccc1[N+](=O)[O-] 6423079 NPHYEHONXLZOHS-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB Cc1ccc(N2C[C@H](C(=O)O[C@@H](C)C(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7881679 AVBWBPJMBVCEBX-GOEBONIOSA-N 396.399 3.071 5 40 GGBB CC(=O)N[C@H](CC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccs1 12777387 PDIVQFDDALUFCR-MLGOLLRUSA-N 375.450 3.443 5 40 GGBB Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1[N+](=O)[O-] 19943919 RDFMPJMRXBOXAK-UHFFFAOYSA-N 383.385 3.423 5 40 GGBB COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(CO)o1 20144898 VJPAQSODXMDOTE-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB Cc1c(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)cccc1[N+](=O)[O-] 40116493 VCCBHNFUZXLYLI-SFHVURJKSA-N 375.331 3.149 5 40 GGBB CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102734040 OQTSTRMAGBTNRN-GUDVDZBRSA-N 395.415 3.319 5 40 GGBB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 104324321 BPWMWNACLRHPAX-HFOBELJZSA-N 377.194 3.059 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1[N+](=O)[O-] 24941209 RJLCICLLOXJCSM-UHFFFAOYSA-N 394.353 3.279 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C)ccc2C)CC1=O 7928421 OLIJRCGUBPTDLA-CQSZACIVSA-N 383.404 3.212 5 40 GGBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)c1c[nH]c2ccccc12 24886251 DRKMULVEUFNSQR-SNVBAGLBSA-N 382.328 3.233 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)N(C)C 12748285 IIBPZOMYPLJJEO-MRXNPFEDSA-N 377.828 3.290 5 40 GGBB CC(C)C[C@@H](C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 7786698 URMPSNAMWYTUJK-SFHVURJKSA-N 396.399 3.349 5 40 GGBB CCOC(=O)/C=C/c1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)cc1 36395008 LNPARKMKWIJCTL-BJMVGYQFSA-N 380.360 3.300 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087328 RJCMJSRCALQTNM-UHFFFAOYSA-N 379.394 3.335 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)O)cc1 610111311 ULWJIPYKDFVGIU-UHFFFAOYSA-N 378.406 3.066 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccccc1OC(F)(F)F)CC2 12985205 VMVHVVCMOVLZMM-UHFFFAOYSA-N 388.323 3.245 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2O)n[nH]1 4129450 OCVCBJVRGUZLJP-UHFFFAOYSA-N 385.405 3.125 5 40 GGBB CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 55193328 XWUXZAPSUUFSJN-UHFFFAOYSA-N 377.784 3.184 5 40 GGBB O=C1O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Br)Cc2ccccc21 8769958 FKXQKFMMFJBEAA-CQSZACIVSA-N 391.177 3.078 5 40 GGBB C[C@@H](OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 25099402 OONVSMYFKFRNSE-GFCCVEGCSA-N 397.387 3.127 5 40 GGBB COC(=O)c1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 822640 SLVJGDZTUFPVEO-OVCLIPMQSA-N 386.747 3.379 5 40 GGBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1 2663273 AEBZCIVZYHHNDU-UHFFFAOYSA-N 383.187 3.375 5 40 GGBB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6362015 NGPZKZKNPHCHHI-CYBMUJFWSA-N 391.449 3.232 5 40 GGBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1COc2ccccc2O1 2621021 IVHQSVOQSALMRX-INIZCTEOSA-N 383.385 3.497 5 40 GGBB COc1cc(Cn2cnc3ccsc3c2=O)c([N+](=O)[O-])cc1OC(F)F 13985680 WIBWBBYPSGHYNX-UHFFFAOYSA-N 383.332 3.025 5 40 GGBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)Nc1ccccc1N1CCCC1=O 9691876 CJTSISCNBIAGSR-BQYQJAHWSA-N 395.371 3.102 5 40 GGBB CCn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(=O)c2cc(OC)ccc21 22235987 WKAAUTPAUWKEBR-UHFFFAOYSA-N 381.388 3.499 5 40 GGBB CCOC(=O)C1CCN(c2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])CC1 40618796 SOQVSFIRCFNNIE-UHFFFAOYSA-N 389.387 3.047 5 40 GGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 6418755 IFJWTJKKIREVOI-UHFFFAOYSA-N 393.808 3.412 5 40 GGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1CCCCC1 7768559 MVYLOWPAPBZHQK-UHFFFAOYSA-N 395.462 3.403 5 40 GGBB Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1I 171534185 ZFBGYYTWLTYSNS-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB COC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCC(C)C)C1 95449727 ODEZPQKIXDEIDR-GOSISDBHSA-N 380.466 3.368 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 408640293 IPMIAVJRIUSHBN-CQSZACIVSA-N 383.404 3.212 5 40 GGBB CCN1CCC[C@]2(CN(Cc3cccc(OC)c3[N+](=O)[O-])CC(F)(F)C2)C1=O 306141134 VLZYPPACAFQFKN-SFHVURJKSA-N 397.422 3.073 5 40 GGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1c2ccccc2CCc2ccccc21 31672485 QQQCDUYBQRIKMC-UHFFFAOYSA-N 375.384 3.220 5 40 GGBB COc1ccccc1-c1cc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)on1 32865949 JQFLERQVGJOZGP-UHFFFAOYSA-N 378.344 3.017 5 40 GGBB CC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1C 822885 ABWBSVSJHLJGNC-YVLHZVERSA-N 380.356 3.481 5 40 GGBB O=C(c1ccccc1)[C@@H](c1ccccc1)[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21 5722530 HJNBJRGJCGJFHU-KNQAVFIVSA-N 388.379 3.401 5 40 GGBB Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1 6840122 KJHSWLIJCMDWMY-UHFFFAOYSA-N 389.717 3.376 5 40 GGBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1 7654077 KRDZHLOCSUCIEP-UHFFFAOYSA-N 382.829 3.015 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 7882247 OOCLKULTPBZQDM-LLVKDONJSA-N 389.795 3.248 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] 16282759 UEMBIMFDEWDEBF-UHFFFAOYSA-N 390.743 3.028 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCOCC2)cc1 30945832 ZOYQDTNSQOCJRZ-UHFFFAOYSA-N 375.812 3.333 5 40 GGBB CCCCOc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 408628930 YHZLWJZAQNVOJQ-UHFFFAOYSA-N 388.449 3.405 5 40 GGBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 409245310 QRVOLZCJBVXRPF-OVCLIPMQSA-N 397.387 3.013 5 40 GGBB CC[C@H]1CCc2c(sc3ncn4nc(Cn5nc([N+](=O)[O-])cc5C)nc4c23)C1 2803800 QMEBMBPQZYTTHC-NSHDSACASA-N 397.464 3.315 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 8412921 FCANJOCWWUJATA-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB COC(=O)[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100846225 AQKVNZQPPMGCCU-WSACYYNKSA-N 386.448 3.111 5 40 GGBB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4556148 IADGZEUTZGZRPG-MRXNPFEDSA-N 388.449 3.472 5 40 GGBB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 408627932 OMUGMNPFVUIOPI-BJMVGYQFSA-N 387.417 3.138 5 40 GGBB CCOc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)c([N+](=O)[O-])c1 5452103 UBRARLPUEDIPEO-UHFFFAOYSA-N 394.387 3.100 5 40 GGBB Cc1cc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)ccc1[N+](=O)[O-] 16283163 OTTBTQSKBSJHLT-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)cc1[N+](=O)[O-] 4954602 ZYEUZCQLHJLJLJ-UHFFFAOYSA-N 397.460 3.353 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)cc1[N+](=O)[O-] 9536313 KGXKRBNXVFVTEU-UHFFFAOYSA-N 384.175 3.401 5 40 GGBB CCc1ccc(N2C[C@H](C(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408642707 POCOVKNZRCECSK-CQSZACIVSA-N 383.404 3.157 5 40 GGBB COc1ccc([N+](=O)[O-])cc1CN1CCO[C@H](c2ccc(OC)c(OC)c2)C1 1176945225 GKMJIORSHCNELY-FQEVSTJZSA-N 388.420 3.194 5 40 GGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 4377283 UMKSGEWGYQSSMF-UHFFFAOYSA-N 399.384 3.158 5 40 GGBB CCOc1ccccc1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] 4822537 UTZUYDNCZGNMSE-UHFFFAOYSA-N 375.772 3.210 5 40 GGBB CCN(CC)c1nc(N)c([N+](=O)[O-])c(N2CCC(Cc3ccccc3)CC2)n1 5111733 YEVGGSYGCIZNEN-UHFFFAOYSA-N 384.484 3.272 5 40 GGBB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5567130 MWGRCNMHRKGLFY-UHFFFAOYSA-N 377.181 3.451 5 40 GGBB CN(Cc1ccccc1Br)C(=O)COc1cccc([N+](=O)[O-])c1 14018093 UIGQDAZYMOOVBP-UHFFFAOYSA-N 379.210 3.395 5 40 GGBB Cc1cc(=O)c(C(=O)NCCC2=CCCCC2)nn1-c1ccccc1[N+](=O)[O-] 17335125 WDVUHQVQZWDJME-UHFFFAOYSA-N 382.420 3.069 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(OC)cc1 20150118 FQBSJFICCIXUIJ-KRWDZBQOSA-N 398.371 3.067 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)o1 9634961 FVRKGSXQLXIHIB-SECBINFHSA-N 390.377 3.366 5 40 GGBB Cc1nn(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(C)c1[N+](=O)[O-] 23732325 GHLQVUKEFVSYBX-UHFFFAOYSA-N 383.374 3.207 5 40 GGBB C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(NC(=O)Nc2ccccc2)cc1 95978318 WMPNQHVBKRGWHB-LBPRGKRZSA-N 394.391 3.453 5 40 GGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc2c(c1)OCCO2 8746138 IBIUWTVWBADGQC-CYBMUJFWSA-N 388.445 3.206 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccc(C)cc1 10218583 GKZKULDXNPPGIZ-UHFFFAOYSA-N 392.433 3.104 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 102095402 JRMYZKZSIAKQRL-UHFFFAOYSA-N 382.672 3.023 5 40 GGBB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 225038818 FDOXORYIFZGVHH-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB COC(=O)C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Cl 8704633 AQRASUKBOLNWPN-OAHLLOKOSA-N 376.796 3.211 5 40 GGBB CC(=O)c1ccc(N2CCC(C(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 12608706 ZAEJOUXRTSWZGE-UHFFFAOYSA-N 381.432 3.330 5 40 GGBB COc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCC(C)C 22061595 ZHLVXGPXPPTOQJ-KRWDZBQOSA-N 388.420 3.102 5 40 GGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 24450134 IUBWFZCGJFZUET-UHFFFAOYSA-N 399.447 3.183 5 40 GGBB CN1C(=O)c2cccc3c(-c4cccc(C(=O)O)c4)c([N+](=O)[O-])cc(c23)C1=O 409002410 UMYXSKFJMBNWJF-UHFFFAOYSA-N 376.324 3.339 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2ccccc2OC(F)F)c([N+](=O)[O-])c1 5340795 HEFJTHCSWMKYFM-UHFFFAOYSA-N 380.303 3.300 5 40 GGBB C[C@@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 5529672 ZCGGXSVCMXSGLZ-MLGOLLRUSA-N 378.392 3.232 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=c1/[nH]c2c(F)cc(F)cc2s1 6510772 ITBPDLCRJURSSM-UHFFFAOYSA-N 385.373 3.014 5 40 GGBB O=C(C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 10152174 PLZLBXAYUHJODI-HNNXBMFYSA-N 385.401 3.188 5 40 GGBB Cc1cc(=O)[nH]c(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1 16283969 XHTDPOYTOGYPLX-UHFFFAOYSA-N 376.272 3.065 5 40 GGBB CNS(=O)(=O)c1ccc(NCc2cc3cc(F)ccc3s2)c([N+](=O)[O-])c1 58067285 YDIBKIBKWHVMOV-UHFFFAOYSA-N 395.437 3.469 5 40 GGBB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224743544 HOWHKXQXEHTZSK-QGZVFWFLSA-N 397.475 3.389 5 40 GGBB O=[N+]([O-])c1ccc(Oc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)nc1 409350563 RYQQGVVDBWGDCS-XVNBXDOJSA-N 397.303 3.062 5 40 GGBB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c([N+](=O)[O-])cc1O 12556317 PIGPWDQEVKSTND-BUXKBTBVSA-N 399.403 3.055 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c1C 12922144 JXZCPWFODUYENT-QGZVFWFLSA-N 394.424 3.113 5 40 GGBB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 15359457 KQETULWJOHFKBX-ZDUSSCGKSA-N 382.463 3.363 5 40 GGBB Cc1ccc(C)c(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 6282136 FDBRNKAUIGFSKW-UHFFFAOYSA-N 392.433 3.025 5 40 GGBB CCOc1ccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])c1 6538097 KPUQWJIQTXKGFU-CQSZACIVSA-N 391.207 3.059 5 40 GGBB O=[N+]([O-])c1ccccc1NCCNc1ncnc2c1cnn2-c1ccccc1 9339004 SGTPAZAVWACKMT-UHFFFAOYSA-N 375.392 3.248 5 40 GGBB COCCNc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1[N+](=O)[O-] 17574365 VVHRFKPYENMOET-UHFFFAOYSA-N 398.423 3.231 5 40 GGBB O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1)N1CCc2c(F)ccc(F)c2C1 1545202353 XYWFXCPPUKXZBZ-UHFFFAOYSA-N 384.342 3.462 5 40 GGBB CCOC(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 39757476 WIXGVHDNYKRTBA-UHFFFAOYSA-N 397.347 3.466 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn(OCc2cccc(Cl)c2)c1=O 5054753 XZOANIIHHVPCIO-UHFFFAOYSA-N 399.790 3.291 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(Cl)cc([N+](=O)[O-])c1O 102095363 YWAVGCIURODYAZ-UHFFFAOYSA-N 382.672 3.023 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H](c1cccs1)N1CCCCC1 27741299 ZNWCBHDAMBKPKX-QGZVFWFLSA-N 389.477 3.379 5 40 GGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1Cl 6652741 AFUWWFLDYPRSKX-UHFFFAOYSA-N 391.742 3.012 5 40 GGBB CC(=O)c1ccc(Sc2nnc(NC[C@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140900 WHGPRKFMVADZEV-LLVKDONJSA-N 380.451 3.391 5 40 GGBB CCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 5938106 JVHMPRQTKKLCRQ-VAWYXSNFSA-N 383.404 3.104 5 40 GGBB Cc1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] 21273016 OIUZHTXQTKXUCD-UHFFFAOYSA-N 394.353 3.279 5 40 GGBB CCCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20410783 VNKYPGDYXLKKHK-UHFFFAOYSA-N 385.420 3.473 5 40 GGBB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)n1 31791461 KFVLUTVSSAWJFL-UHFFFAOYSA-N 380.360 3.210 5 40 GGBB CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c1C 219825541 FIARQSUIXFWNRV-UHFFFAOYSA-N 388.376 3.106 5 40 GGBB O=C(C[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 5722365 SNBMSGAENDBKPB-INIZCTEOSA-N 381.171 3.314 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)c1ccc4c(c1)OCO4)[N+](C)(C)CC3)OCO2 2118510 WLUFFQSGSGIQMG-HNNXBMFYSA-N 398.435 3.099 5 40 GGBB biogenic Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)n1 5938884 NGSNGVONPVHSOJ-UHFFFAOYSA-N 394.387 3.193 5 40 GGBB C[C@H](CCc1ccccc1)NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17116052 IXALXCUUEHGJGJ-QGZVFWFLSA-N 382.464 3.448 5 40 GGBB Cn1nc([N+](=O)[O-])nc1Sc1nnc(-c2ccccc2)n1-c1ccccc1 19828335 JQVJDBWHMGOUSI-UHFFFAOYSA-N 379.405 3.122 5 40 GGBB CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 24805830 YSMXZPKECNKDBI-UHFFFAOYSA-N 392.433 3.029 5 40 GGBB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)cnc12 25834178 SCILSMAONODYHE-HNNXBMFYSA-N 394.431 3.223 5 40 GGBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1F 32931517 HIWQXPAUTAIIHQ-UHFFFAOYSA-N 399.422 3.211 5 40 GGBB CN(C)c1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 35426262 XOUNQKDFAUNAFG-KRWDZBQOSA-N 394.435 3.443 5 40 GGBB biogenic,in-vitro Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3C(C)C)c(=O)n2c1 100630679 PMKTWQVKNYEEOZ-UHFFFAOYSA-N 393.491 3.080 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783692 KONBOOIVEUNACU-UHFFFAOYSA-N 395.393 3.035 5 40 GGBB O=C(Nc1ccc(-c2noc(O)n2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 78725969 ZUMIWEWDHIMGDF-UHFFFAOYSA-N 395.375 3.203 5 40 GGBB CCOc1cc(NC(=O)[C@H](CC)n2cc([N+](=O)[O-])cn2)ccc1OC(F)F 2805323 YAZVOYMADSTTEX-LBPRGKRZSA-N 384.339 3.381 5 40 GGBB COC(=O)c1cc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)cc([N+](=O)[O-])c1 3513544 GSPSRWYNJYVDML-UHFFFAOYSA-N 397.339 3.153 5 40 GGBB Cc1cc(=O)c(C(=O)N[C@@H](C)c2cccs2)nn1-c1ccccc1[N+](=O)[O-] 17842381 MGJLLTJJKRVUNK-LBPRGKRZSA-N 384.417 3.002 5 40 GGBB COc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 218049438 KNBBPUBSKYUBLJ-CQSZACIVSA-N 390.461 3.420 5 40 GGBB Cc1cc(C)c(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 224783489 AFEKFVNPAZSIKN-UHFFFAOYSA-N 392.433 3.108 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O 19960248 KQFVSHMHNGSAAF-UHFFFAOYSA-N 398.382 3.312 5 40 GGBB CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(F)cc1 44087147 WKIRUWTZJFNLKT-UHFFFAOYSA-N 386.408 3.425 5 40 GGBB COCCn1/c(=N/C(=O)c2cccc(OC)c2)sc2cc([N+](=O)[O-])ccc21 100872670 FMHAQOZBANNTOI-HNENSFHCSA-N 387.417 3.007 5 40 GGBB CCOC(=O)C1=CN(C(C)C)C=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 2797546 ITIBCWOMDIADOQ-UHFFFAOYSA-N 388.420 3.296 5 40 GGBB CC[C@H](C)[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 24754695 VBDIPNFYUAFAEU-SCLBCKFNSA-N 396.399 3.349 5 40 GGBB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409155988 SHNBRXRNMWFZHR-BXUZGUMPSA-N 376.438 3.432 5 40 GGBB NC(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 583623193 WZBQWJJYRFUYCA-AWEZNQCLSA-N 395.419 3.056 5 40 GGBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](c2ccccc2)S(=O)(=O)N2CCCCC2)cc1 1717719 OMCFOPZCPDRAMX-RBUKOAKNSA-N 390.461 3.185 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1 7700120 HDSBODXKWKAGQN-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB O=[N+]([O-])c1cccc(/C=C\c2cc(N(CCO)CCO)c3ccccc3n2)c1 5640790 XBPNNBYGQDDUDF-HJWRWDBZSA-N 379.416 3.104 5 40 GGBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccoc1)c1ccc([N+](=O)[O-])cc1 3641588 GZUVUPDJOMYFJQ-QGZVFWFLSA-N 378.344 3.099 5 40 GGBB COc1ccc(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(OC)c1OC 47323213 VYDNJOLOWRYJLR-UHFFFAOYSA-N 375.381 3.251 5 40 GGBB O=C(NC(=S)NNc1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408623996 ADYYEGSEYXKFKK-UHFFFAOYSA-N 399.476 3.217 5 40 GGBB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 35326661 XKPRWRCDVDZZIA-QGZVFWFLSA-N 398.806 3.245 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 20242093 CEEYNWXYVHVYSA-LCXVDEDSSA-N 377.444 3.466 5 40 GGBB CCCC[C@@H](NC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C)C(=O)O 2125918 AYSAAPAFNRICIG-QGZVFWFLSA-N 397.427 3.393 5 40 GGBB biogenic COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2307738 MTAHVVVCHRMHMT-UHFFFAOYSA-N 385.427 3.238 5 40 GGBB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9425997 BUOGFAMNLWWHBE-UHFFFAOYSA-N 391.811 3.267 5 40 GGBB CSc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408566856 PNRLTRDFEJRDKO-QEUVDIPISA-N 395.484 3.463 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(Cc2ccccc2)n1 408581603 JLTOAXFRATUTBF-UHFFFAOYSA-N 399.432 3.043 5 40 GGBB NC(=O)c1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 13099004 ZTKAOPHVEKHJSB-UHFFFAOYSA-N 382.420 3.326 5 40 GGBB COCCn1/c(=N/C(=O)c2cccc(F)c2)sc2cc([N+](=O)[O-])ccc21 100872667 XAIBOWXFLAAZPF-ZPHPHTNESA-N 375.381 3.138 5 40 GGBB O=C1CC[C@@]2(C(=O)OCc3csc([N+](=O)[O-])c3)Sc3ccccc3N12 50936164 UFRNCAZASKFTNP-INIZCTEOSA-N 376.415 3.329 5 40 GGBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)n1 653446 VCYXSSAJSTYJHV-UHFFFAOYSA-N 386.387 3.064 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]2C)cc1 4081292 TXDISPFTWMGWCX-CQSZACIVSA-N 384.392 3.162 5 40 GGBB N=C1NC(=O)/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)S1 4257831 KJWKWPFJCKGAOM-VGOFMYFVSA-N 386.345 3.434 5 40 GGBB COc1cc(OC)cc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)c1 6453618 CVOPIFZDICAUPE-UHFFFAOYSA-N 389.389 3.483 5 40 GGBB Cc1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc([N+](=O)[O-])cc3)=NO2)c(C)c1 6661531 HDGXKZMOXTWWBI-FQEVSTJZSA-N 397.387 3.188 5 40 GGBB CC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 49618565 BBNKBLPQAXVIKX-UHFFFAOYSA-N 383.404 3.082 5 40 GGBB COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)cc1[N+](=O)[O-] 58354852 QTJKUJJGWLMWOS-INIZCTEOSA-N 380.404 3.467 5 40 GGBB COC(=O)[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 100846224 AQKVNZQPPMGCCU-AHQQAOBSSA-N 386.448 3.111 5 40 GGBB CCN(CC)C(=O)c1cc2c(=O)c3c(ccc4ccccc43)oc2n(C)c1=O 1578702 BDYZFTWKSQEFOF-UHFFFAOYSA-N 376.412 3.280 5 40 GGBB CN(Cc1ccc(Br)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 9885250 UQDACORGAOADNK-UHFFFAOYSA-N 379.210 3.395 5 40 GGBB CNC(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 3066806 CXHKKUBCUGHTJL-AQTBWJFISA-N 391.383 3.372 5 40 GGBB CCOC(=O)C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 2023872 VAFMBLXQKMRHNS-MRXNPFEDSA-N 388.332 3.354 5 40 GGBB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc([N+](=O)[O-])c1O 409091131 PMRQBMJYJSELFS-ZROIWOOFSA-N 391.449 3.042 5 40 GGBB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 8349514 PTEVIQNBHUEXQM-CQSZACIVSA-N 397.460 3.487 5 40 GGBB COc1cc(CCNC(=O)COc2ccccc2Cl)c([N+](=O)[O-])cc1OC 8704987 PLQKEKQJOHEJBP-UHFFFAOYSA-N 394.811 3.003 5 40 GGBB CCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 5945978 DEDPHMIISMZOPI-MDZDMXLPSA-N 398.444 3.470 5 40 GGBB Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)Nc3ccccc3[N+](=O)[O-])n2)c1 5410173 ICLDYRSNIYSAOI-UHFFFAOYSA-N 378.388 3.074 5 40 GGBB COc1ccc(C(=O)[C@H](C)OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 8843655 GJZYDTOPQMSFCT-NSHDSACASA-N 397.339 3.138 5 40 GGBB biogenic O=C(/C=C\c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCOCC1 13809755 UQNGFBVMEKGKNY-PLNGDYQASA-N 399.359 3.167 5 40 GGBB Nc1ccccc1[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 6276958 LXCBBBJYUAEZPT-LJQANCHMSA-N 383.429 3.245 5 40 GGBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1 408783927 PGVAAWLHHFLUGC-CTJNPYBDSA-N 387.417 3.168 5 40 GGBB O=c1c([N+](=O)[O-])cc(Br)cn1Cc1csc(-c2ccco2)n1 95971863 CSYOFDVJGYYGJX-UHFFFAOYSA-N 382.195 3.284 5 40 GGBB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220398791 PADOBCNTIGIUGA-CQSZACIVSA-N 391.449 3.005 5 40 GGBB COC(=O)[C@H]1C[C@@]23C(=O)[C@H]4C[C@H]5[C@]2(C)[C@@H](CCC2=C3[C@H]1CC2)C[N@+]5([O-])C[C@@H]4C 1077995386 DLTJWHRTAHFESH-NCHZQINWSA-N 385.504 3.224 5 40 GGBB biogenic Cc1ccc(NC(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)ccc2=O)cc1Cl 5400659 OGBQRUZPGHHOPJ-UHFFFAOYSA-N 398.806 3.419 5 40 GGBB CCCCOc1ccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 21866490 GZAQLQJPOPZNQH-KRWDZBQOSA-N 388.420 3.246 5 40 GGBB COc1ccccc1-c1noc([C@H](C)Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1 72307647 FFLYHRBVJSQVST-JTQLQIEISA-N 397.395 3.191 5 40 GGBB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409145770 RTDAXFVFEZUGLM-IUODEOHRSA-N 389.481 3.177 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1cccnc1 6214082 ABDRWVXMRXKUCY-UHFFFAOYSA-N 384.417 3.403 5 40 GGBB CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 6296592 DBGHNGPKTZRROL-UHFFFAOYSA-N 384.461 3.316 5 40 GGBB Cc1cc(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-] 8774684 DPLIDEUIWAAKGA-UHFFFAOYSA-N 391.811 3.033 5 40 GGBB COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222569991 ITPZVXAEJWRNAU-HNHYXYPQSA-N 386.433 3.293 5 40 GGBB CCOC(=O)c1ccc(C)c(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 225013622 HIHKYAXEVRFIKX-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB O=C(O)c1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1 226353914 LCELQMQSQVLYHL-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB Cc1cc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)ccc1F 26054650 LGCCMHYCRFJUGO-UHFFFAOYSA-N 387.367 3.047 5 40 GGBB COCCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc([N+](=O)[O-])ccc21 100872673 FYALGOCTQPXWNJ-HNENSFHCSA-N 387.417 3.007 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cn2cccnc2=S)CC1 12537057 OWCXKUFTXHHXAG-UHFFFAOYSA-N 399.398 3.319 5 40 GGBB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)[nH]n2)cc1 11494126 UTSUIBDPDXBWAU-CYBMUJFWSA-N 394.387 3.477 5 40 GGBB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14242534 VKNLFMGNJZFROO-MRVPVSSYSA-N 398.828 3.239 5 40 GGBB C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 8055137 COOMPLAGABFUAQ-KBPBESRZSA-N 391.449 3.009 5 40 GGBB Cc1c(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] 222582508 DYYZXALNEYSYOH-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(F)ccc21 100872623 FRCDESPKSUJOAX-ICFOKQHNSA-N 381.410 3.199 5 40 GGBB Cc1ccc(CN(C)C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 4219525 ZZEVDINNEYLKEU-UHFFFAOYSA-N 388.445 3.197 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1Br 3237485 ZFWKZGAEGOFBHL-UHFFFAOYSA-N 378.178 3.326 5 40 GGBB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc([N+](=O)[O-])cc1 6471314 JEVVEOCCHOHMID-UHFFFAOYSA-N 382.294 3.338 5 40 GGBB CNS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)c[nH]2)c([N+](=O)[O-])c1 12544317 HDFBQHUPJPPTPH-UHFFFAOYSA-N 390.446 3.044 5 40 GGBB O=[N+]([O-])c1ccc(N2CCOCC2)c([C@@H]2OCCCN2Cc2ccccc2)c1 59489907 CUZCAEVHOJSGTB-NRFANRHFSA-N 383.448 3.353 5 40 GGBB CC(=O)Nc1ccc2c(COC(=O)c3cccc([N+](=O)[O-])c3C)cc(=O)oc2c1 49573872 CYRDNMHPTDMYDQ-UHFFFAOYSA-N 396.355 3.325 5 40 GGBB Cc1cc(N2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)nc(C(C)C)n1 17744103 ALIBBVNTVZHXDT-UHFFFAOYSA-N 384.440 3.171 5 40 GGBB CNS(=O)(=O)c1ccc(N2CCC[C@@H]2/C=C/c2ccccc2)c([N+](=O)[O-])c1 95468388 YJYKPJRSEOENSP-ZNFPLGDCSA-N 387.461 3.185 5 40 GGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)Nc1cccc(F)c1 409247138 CAUOMFSFSLJIQH-KPKJPENVSA-N 391.336 3.002 5 40 GGBB COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCc2ccccc2[N+](=O)[O-])c1 47829933 TYBMNNJXIMVIPF-UHFFFAOYSA-N 398.419 3.303 5 40 GGBB COc1ccc([C@@H](C[N+](=O)[O-])[C@H]2CCCC=C2N2CCOCC2)cc1OC 945463 JDIUZCZPZSDLBY-IAGOWNOFSA-N 376.453 3.080 5 40 GGBB Cc1cccc(-n2ncc3c(=O)n(Cc4cccc([N+](=O)[O-])c4)cnc32)c1C 4479226 JZYWAINNTCDHQZ-UHFFFAOYSA-N 375.388 3.156 5 40 GGBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)Cc1ccccc1 5508590 HUWHBVAWGPAWLY-LBPRGKRZSA-N 376.796 3.452 5 40 GGBB COc1ccc(-c2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1Cl 8209241 XNWGJTFNKLNARE-HWKANZROSA-N 389.751 3.064 5 40 GGBB COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 10738777 VBAONSCRGDQBKR-KRWDZBQOSA-N 397.431 3.229 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccc2ccccc2c1 15362096 ISBYVSCQLYOPAR-UHFFFAOYSA-N 386.429 3.414 5 40 GGBB Cc1ccc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)c([N+](=O)[O-])c1 17079885 VDQXVHPBNAJXJT-UHFFFAOYSA-N 391.347 3.056 5 40 GGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(I)cc1 32816849 DRJLVMGKXFZWHJ-UHFFFAOYSA-N 396.184 3.472 5 40 GGBB CS[C@H]1CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H]1N(C)C 89314158 QIRNWTDYQGLUQH-MOPGFXCFSA-N 385.489 3.308 5 40 GGBB Cc1cc(C(=O)NCCCc2cc(N)n(-c3ccccc3)n2)ccc1[N+](=O)[O-] 24797535 DLWFSXNIYQFWIK-UHFFFAOYSA-N 379.420 3.034 5 40 GGBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 12919937 QWTAPBKEECGPBX-LJQANCHMSA-N 383.448 3.015 5 40 GGBB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 9155392 WBKTXXNSBQZSNX-JTQLQIEISA-N 395.462 3.276 5 40 GGBB C[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 5656289 QGSRMUUWMIMAEZ-GFCCVEGCSA-N 376.796 3.452 5 40 GGBB CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 46914721 AMVSXUNJUVIMKS-WFXMLNOXSA-N 392.459 3.147 5 40 GGBB O=c1nc2n(-c3ccc4ccccc4c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 2476253 YHGSCZGOJGIBEX-UHFFFAOYSA-N 384.351 3.240 5 40 GGBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccncc3)n2Cc2ccco2)nc1 12517102 JBPBDMKDTWXAHW-UHFFFAOYSA-N 380.389 3.436 5 40 GGBB Cc1c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cccc1[N+](=O)[O-] 3259189 RILNUYXLDNWVIM-UHFFFAOYSA-N 384.175 3.401 5 40 GGBB O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 9114119 CZNLTLHCZIHHBB-UHFFFAOYSA-N 375.388 3.105 5 40 GGBB O=C1CSC(c2cccc([N+](=O)[O-])c2)=NN1C(=O)c1ccccc1Cl 16758344 DDDVAPFJZONRCN-UHFFFAOYSA-N 375.793 3.326 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573855 PBLKOGQNESCBKP-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB O=C(Nc1cccc(CNc2ncc([N+](=O)[O-])c(NC3CC3)n2)c1)c1ccco1 25571188 FENIMIWIMRKWBF-UHFFFAOYSA-N 394.391 3.417 5 40 GGBB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)c1 13002558 PXUWASWYXDEZKZ-GOSISDBHSA-N 386.404 3.355 5 40 GGBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 15345272 YAYIYICWGBGSBA-UHFFFAOYSA-N 394.475 3.153 5 40 GGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1cccc(Cl)c1 18331576 ASJNZLIBGHEMKD-LLVKDONJSA-N 392.795 3.081 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2 25457262 HUNDDEIIEMIIBM-ZDUSSCGKSA-N 383.404 3.078 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409253143 YUFNOBBOGISQCV-SFQUDFHCSA-N 381.388 3.477 5 40 GGBB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 239296796 DIXNZQZUFYGELB-IQGAEYHTSA-N 390.395 3.485 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 5753749 WXPVDBWFZJRVOG-SFHVURJKSA-N 380.404 3.478 5 40 GGBB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 2726514 MFKWPELNLVEHFB-GFCCVEGCSA-N 399.432 3.303 5 40 GGBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4902971 CDZLZBLJILYEKV-UHFFFAOYSA-N 379.775 3.476 5 40 GGBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 6219970 JJPMIPWAGMAZOI-UHFFFAOYSA-N 394.767 3.304 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1C 8416415 BNLISBJEDMZCJS-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(Cl)cccc32)cc1Cl 17194959 DWCNZPYRBOCNCG-UHFFFAOYSA-N 388.210 3.494 5 40 GGBB Cc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 24495172 LPTBHPISANTYHW-INIZCTEOSA-N 386.404 3.422 5 40 GGBB Cn1cc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 67095410 UIYINOTZJPZNHP-WMZOPIPTSA-N 380.379 3.420 5 40 GGBB COC(=O)C[C@H](NCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 95462542 ORWIUGFTGOXFFO-INIZCTEOSA-N 382.376 3.039 5 40 GGBB O=C(Nc1cc(Cl)ccc1Cl)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2796837 LSIPDBNHXRHFFN-UHFFFAOYSA-N 381.179 3.053 5 40 GGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O 3075089 KFZCZTDBXQMWBO-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB COc1ccc([C@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 15130074 MQSWJUWXIGEHFT-MRXNPFEDSA-N 376.434 3.348 5 40 GGBB C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(N2CCOCC2)CCCC1 79064588 OXHHZILPMNFPPW-ZDUSSCGKSA-N 396.875 3.403 5 40 GGBB COC(=O)c1cn(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)c2ccccc12 222628851 MHICNOAARJMKSW-UHFFFAOYSA-N 384.344 3.064 5 40 GGBB O=C1N/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409204539 IKLWPDNNFFPKJB-UYRXBGFRSA-N 388.383 3.478 5 40 GGBB O=C(CCn1cnc([N+](=O)[O-])c1)N(CCc1ccccc1)Cc1ccccc1 24749087 RXOMYQUCRUDUIQ-UHFFFAOYSA-N 378.432 3.453 5 40 GGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1F 8076637 YRKAVRRTHOYSEW-UHFFFAOYSA-N 377.303 3.200 5 40 GGBB C[C@H]1COC[C@@H](c2ccccc2)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 95452661 GZEZZEJSZZXSON-KXBFYZLASA-N 397.431 3.355 5 40 GGBB CC[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 217896671 CBUXEMPCCFYZIJ-LGWVBRRBSA-N 388.445 3.279 5 40 GGBB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011861 XZWKDZKRQUYXRB-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB Cc1cc(C(=O)NCC(=O)N(C)Cc2ccc(Cl)s2)ccc1[N+](=O)[O-] 7814490 OUPSUFIDHTUTAV-UHFFFAOYSA-N 381.841 3.007 5 40 GGBB COC(=O)COc1ccc(Br)cc1/C=C\c1onc(C)c1[N+](=O)[O-] 408544064 RPTSZUDTQRZWMH-HYXAFXHYSA-N 397.181 3.376 5 40 GGBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784945 GHOPPBZCNBJZMB-UHFFFAOYSA-N 379.394 3.335 5 40 GGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(OC(F)F)c(OC)c1 12534595 XPGLOGYGZAQYEO-UHFFFAOYSA-N 381.335 3.177 5 40 GGBB COc1ccc([C@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)C)cc1 15332205 HPZDGUKVRJYABK-GOSISDBHSA-N 394.449 3.288 5 40 GGBB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 17086050 ZVDYILPCOVPBGX-VPTHRUTESA-N 387.417 3.364 5 40 GGBB Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 84225710 JLBIIUYYCMESPQ-AWEZNQCLSA-N 377.441 3.280 5 40 GGBB CCOC(=O)c1oc2ccccc2c1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 9154886 DTFXSYOTLLNCEE-UHFFFAOYSA-N 393.355 3.276 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1C 7325436 YGUFBHCMIZLBSW-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB O=C1N[C@]2(CS1)Oc1ccc([N+](=O)[O-])cc1[C@@H]1CC(c3ccccc3)=NN12 12273884 KYHORIBEIFAIAF-YJBOKZPZSA-N 382.401 3.249 5 40 GGBB CCOC(=O)N1CCN(C(=O)Nc2cc3cccnc3c3cccnc23)CC1 6439143 HODOFYQROWJFNN-UHFFFAOYSA-N 379.420 3.089 5 40 GGBB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 6826176 FABCUIBWSXENRN-UHFFFAOYSA-N 397.416 3.388 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])OCC(=O)N1CCC(Cc2ccccc2)CC1 4918318 BZUUMEHDSCBDBK-UHFFFAOYSA-N 396.443 3.162 5 40 GGBB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl 224779379 FVWPJTJQSNDECH-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 168083512 BPWMWNACLRHPAX-NTKGCBCNSA-N 377.194 3.059 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 12798600 FFMNPQRIUPYHRY-AWEZNQCLSA-N 395.415 3.077 5 40 GGBB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1C[C@H]1CCCO1 2751999 OTETXXJEDBWIBO-CCAPLTMGSA-N 399.428 3.091 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=c1/sc2nc3ccccc3n2c1=O 408997572 NEVTYQNLMJAJJM-LDADJPATSA-N 394.456 3.211 5 40 GGBB Cc1ccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1 95470807 CUEDAELKQGXEMI-UHFFFAOYSA-N 391.383 3.261 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 408643778 RVZCQWDYJISIGZ-CQSZACIVSA-N 383.404 3.212 5 40 GGBB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 222754518 LKTPWQXFZCELFW-ZWKOTPCHSA-N 379.445 3.383 5 40 GGBB Cc1ccc(-n2ncc3c(=O)n(Cc4cccc([N+](=O)[O-])c4)cnc32)cc1C 5139672 BNKIUVFKSBXXRQ-UHFFFAOYSA-N 375.388 3.156 5 40 GGBB CCCC[C@@H](CC)CN[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)O 5258391 LZVKCQWEOXLAKJ-PBHICJAKSA-N 379.457 3.491 5 40 GGBB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cc2c(cc1[N+](=O)[O-])OCO2 32722488 LSLSPDGGZBETPA-UHFFFAOYSA-N 393.735 3.105 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7882202 STDYFTSYSHUERJ-HIFRSBDPSA-N 383.404 3.152 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(NCc2cccc(OC)c2)c([N+](=O)[O-])c1 7982753 ALSBVSDSKJNJGN-UHFFFAOYSA-N 393.465 3.246 5 40 GGBB O=c1/c(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2nc3ccccc3n12 2076704 VYRXKDKNXYMHQS-PDGQHHTCSA-N 388.408 3.156 5 40 GGBB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113873357 CIUZEIKHOWXJJU-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1ccccc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 13961324 XOOOGBQRQAVQGD-UHFFFAOYSA-N 385.380 3.014 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])cc1 15400323 DXJJADMUOBXEFZ-UHFFFAOYSA-N 389.477 3.188 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@H](CO)Cc1ccco1 32829363 PZDMEWOSVYBRDV-SECBINFHSA-N 389.286 3.378 5 40 GGBB Cc1nc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 12752679 KHLKGOUIPBWXNV-GFCCVEGCSA-N 383.383 3.456 5 40 GGBB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 2726513 MFKWPELNLVEHFB-LBPRGKRZSA-N 399.432 3.303 5 40 GGBB COc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)cc1[N+](=O)[O-] 3340088 CNFMMDIXCSRGGS-UHFFFAOYSA-N 381.287 3.245 5 40 GGBB Cc1cc(OC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c(=O)[nH]1 4248372 XBKMJMVFQUEYLS-UHFFFAOYSA-N 387.573 3.227 5 40 GGBB COc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 5270707 RLGWNJQICRRGPP-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB COc1ccc(-c2csc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)n2)cc1 7641090 SPTRLLDUBIBROB-UHFFFAOYSA-N 387.421 3.179 5 40 GGBB Cc1ccc(-c2nnc(S)n2CC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 48302509 UZCKWTQVKCEHCF-ZDUSSCGKSA-N 397.460 3.328 5 40 GGBB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 48325023 YZWODSPMRMWXNN-UHFFFAOYSA-N 386.408 3.268 5 40 GGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@H]2CCC[C@H](C1)C2=O 103138049 VTPMUJOXODFOAC-CHWSQXEVSA-N 385.376 3.083 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(CN2CCOCC2)c1 20460148 LYTNJSNCYFNJBO-UHFFFAOYSA-N 375.812 3.333 5 40 GGBB C[C@@H](NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C)c1ccccc1 409129769 MFGXFTRHCRHAKP-CYBMUJFWSA-N 397.460 3.360 5 40 GGBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 15906256 YLRZWWHPSAQKQT-FUHWJXTLSA-N 396.403 3.260 5 40 GGBB CC(=O)Nc1cccc(-n2cnnc2SCCOc2cccc([N+](=O)[O-])c2)c1 40127905 UWPHSQGXORSFBC-UHFFFAOYSA-N 399.432 3.305 5 40 GGBB CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccc([N+](=O)[O-])c1 14409870 FWCUTLYTCCSSMI-UHFFFAOYSA-N 390.450 3.061 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C=C[C@@H]2C12CC2 100184359 FFAHMWNZQNAWQE-NUZBWSBOSA-N 389.205 3.059 5 40 GGBB COCCn1c(-c2ccccc2F)nc2sc3ccccc3c(=O)c2c1=O 2224907 YKBWHUOUVKXCIL-UHFFFAOYSA-N 382.416 3.424 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2 5406662 FJWOPUYMOOOTOG-LBPRGKRZSA-N 386.404 3.256 5 40 GGBB Cc1c(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cccc1[N+](=O)[O-] 4700496 FPBYXRDTGBHNTN-MRXNPFEDSA-N 386.448 3.370 5 40 GGBB NC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 226334739 HUBKARHCARGBPZ-XBXARRHUSA-N 377.194 3.435 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc([N+](=O)[O-])c1 31083842 ANAWBCPEDJEIMN-UHFFFAOYSA-N 389.477 3.188 5 40 GGBB Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1N1CCCCC1=O 5330132 ABIVRBDDQXJBRE-UHFFFAOYSA-N 389.433 3.221 5 40 GGBB CC(=O)N1CCc2cc(NC(=O)COc3ccc(Cl)cc3[N+](=O)[O-])ccc21 12747556 ISIUSQILHAEMBO-UHFFFAOYSA-N 389.795 3.175 5 40 GGBB C[C@@H](CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)NC(=O)c1ccccc1 10904706 YXPSRTCYMPDMJP-ZDUSSCGKSA-N 389.839 3.415 5 40 GGBB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 5529677 ZCGGXSVCMXSGLZ-WBMJQRKESA-N 378.392 3.232 5 40 GGBB COc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C(C)C)cc1 15332203 HPZDGUKVRJYABK-SFHVURJKSA-N 394.449 3.288 5 40 GGBB O=C(Nc1c[nH]nc1[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)C1CCCC1 95999551 HAQREVYGSZOVSO-AWEZNQCLSA-N 384.440 3.226 5 40 GGBB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409155990 SHNBRXRNMWFZHR-FZMZJTMJSA-N 376.438 3.432 5 40 GGBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 225872584 GWGAXWCCQDAXEX-UHFFFAOYSA-N 385.420 3.384 5 40 GGBB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 5378129 ZHEBHXUMNWAOAF-HKUYNNGSSA-N 379.372 3.023 5 40 GGBB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13988373 JCAWPMHPDZNVEB-IFIJOSMWSA-N 388.420 3.195 5 40 GGBB COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 845627 NITIFTBSCJQOAN-KRWDZBQOSA-N 398.444 3.035 5 40 GGBB CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1 2326588 NBJOGUYJXLDVNL-UHFFFAOYSA-N 392.411 3.131 5 40 GGBB COc1ccc(N2C(=O)C[C@H](Nc3cccc(SC)c3)C2=O)c([N+](=O)[O-])c1 6247849 VGXWRPBLTWGUTF-AWEZNQCLSA-N 387.417 3.069 5 40 GGBB O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 16121453 FKGIZQUMSJLKMC-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB C[C@H](C1CC1)N(C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 25057546 QERBGEDEULWDIR-CQSZACIVSA-N 381.498 3.394 5 40 GGBB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1(C)C 43087518 KIBHSAXZHHGGDH-CZUORRHYSA-N 391.493 3.179 5 40 GGBB Cc1ccccc1OCCNC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417124 UPVDZBAHSAQFNI-UHFFFAOYSA-N 398.337 3.496 5 40 GGBB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 6084610 XVMRUASQFITUNQ-UHFFFAOYSA-N 393.490 3.157 5 40 GGBB O=C(CCC(=O)c1ccc(F)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 6354791 IOPUGFGAKIBOQG-UHFFFAOYSA-N 389.335 3.307 5 40 GGBB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 4704202 FTUFPVPWASWBKM-SFHVURJKSA-N 390.403 3.422 5 40 GGBB Cc1nc2ccccc2c2c(NC(=O)[C@@H](C)S(C)(=O)=O)c3ccccc3n12 79038386 HQVBLBKYCUBKTJ-GFCCVEGCSA-N 381.457 3.321 5 40 GGBB Cc1c(CSc2nc3ccccc3c(=O)n2CCCO)cccc1[N+](=O)[O-] 40123079 IURHXWKYZVLACD-UHFFFAOYSA-N 385.445 3.288 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1 5745169 NARNZPSBPOLZBD-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB CC1CCN(c2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[N+](=O)[O-])CC1 17481598 FWZAXAIBMLEOGY-UHFFFAOYSA-N 382.420 3.182 5 40 GGBB Cc1ccccc1NC1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 58167691 YHZLCGZAJGTKLH-UHFFFAOYSA-N 389.477 3.477 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCCC1 408561221 HEZCQRMYRRVBBT-UHFFFAOYSA-N 390.421 3.023 5 40 GGBB NC(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 583623197 WZBQWJJYRFUYCA-CQSZACIVSA-N 395.419 3.056 5 40 GGBB COc1ccccc1-n1c(SCC(=O)NC2CC2)nc2cc([N+](=O)[O-])ccc21 3220995 BNNJZZYZQQFTOQ-UHFFFAOYSA-N 398.444 3.313 5 40 GGBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1C[C@H]1CCCO1)CCC2 10255376 HZAQHEXDYOYSPT-OAHLLOKOSA-N 387.461 3.112 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 8416467 JMDRKKQDKNEWFZ-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB Cc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-] 3259251 AHRHXMLOCYNEIB-UHFFFAOYSA-N 384.175 3.401 5 40 GGBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(NC[C@H]3CCCO3)nc21 28629302 PUTNSKCJDGPSDZ-CQSZACIVSA-N 383.412 3.089 5 40 GGBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCc1cccs1 5449620 RWQVFFFOXQSTES-UHFFFAOYSA-N 386.385 3.390 5 40 GGBB CC(=O)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 7779745 VCHBYZWVYOSOBM-UHFFFAOYSA-N 397.416 3.329 5 40 GGBB CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)cc1 8478504 IZBGZYZUAIQAGL-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811070 VBUAQOKKGSLIEZ-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB CCCNC(=O)c1cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2oc1=O 1810889 AKVLTWXSKBHPJP-UHFFFAOYSA-N 396.355 3.060 5 40 GGBB O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl 2062995 JBLLRHPBBBACLD-UHFFFAOYSA-N 390.779 3.393 5 40 GGBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccco1 6479944 MZTJHWDKJCKZKJ-UHFFFAOYSA-N 393.812 3.368 5 40 GGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7881393 USHYWGHWXXOAHH-ZBFHGGJFSA-N 396.399 3.071 5 40 GGBB Cc1cc(C)cc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8416525 KSICSOFDDDIYAW-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccc([N+](=O)[O-])cc1 3328856 XHQYKSNXRHUWMX-UHFFFAOYSA-N 397.412 3.440 5 40 GGBB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 9053489 FRCKVMJRNKGARO-UHFFFAOYSA-N 395.463 3.464 5 40 GGBB COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] 6054887 SIXSDQDRYMKEPA-WMZOPIPTSA-N 381.432 3.360 5 40 GGBB O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F 72229246 OCXTYMDHBCSWGP-UHFFFAOYSA-N 379.775 3.476 5 40 GGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)n1 4377278 IPLKFZWQKYAKAU-UHFFFAOYSA-N 399.384 3.158 5 40 GGBB COc1cccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)c1 10187936 IPUVKJRQBCWFJQ-UHFFFAOYSA-N 379.372 3.066 5 40 GGBB CC(=O)Nc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1C 12770837 SOWSRXIVMGEQLG-UHFFFAOYSA-N 377.422 3.279 5 40 GGBB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] 13004687 BSSZOXPDLTYTEG-OAHLLOKOSA-N 395.868 3.113 5 40 GGBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OCC 4614084 OQGIKCJNLZCKRO-UHFFFAOYSA-N 375.381 3.438 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9547787 GAVJZOPCSSTTKV-YOEHRIQHSA-N 389.820 3.457 5 40 GGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1[N+](=O)[O-] 408623028 QPEJAPOAWJYZNU-UHFFFAOYSA-N 393.808 3.382 5 40 GGBB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 408627759 NLEFVRWYIJBLLN-UHFFFAOYSA-N 375.406 3.214 5 40 GGBB Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)c(Cl)c2)cccc1[N+](=O)[O-] 20458842 BUURAEUQUHCIKY-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB O=C(c1cccnc1Cl)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 24936458 BTWYCBWOTBMSJD-UHFFFAOYSA-N 381.219 3.259 5 40 GGBB O=C(NCc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccc([N+](=O)[O-])cc1 3138873 ZDSILLVJHZDJJY-UYRXBGFRSA-N 391.383 3.275 5 40 GGBB CN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 4700416 KJFRILMPGKOCGI-GOSISDBHSA-N 386.448 3.404 5 40 GGBB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc([N+](=O)[O-])cc1Cl 4903821 PPXADPJBAMCAPE-UHFFFAOYSA-N 391.796 3.424 5 40 GGBB COc1cccc(CN(C)C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 6084562 JZPHUYMBPIVETP-UHFFFAOYSA-N 392.795 3.072 5 40 GGBB O=C(OCC(=O)N1CCCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6815585 QUGWCBUTJJBQNP-UHFFFAOYSA-N 389.452 3.145 5 40 GGBB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1cc([N+](=O)[O-])c(F)cc1F 40152360 HORXTEMSMFTIBT-INIZCTEOSA-N 397.378 3.432 5 40 GGBB O=C(Nc1c[nH]nc1[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)C1CCCC1 95999552 HAQREVYGSZOVSO-CQSZACIVSA-N 384.440 3.226 5 40 GGBB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113874638 HZLZOYXOBNCWHZ-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB COc1ccc(NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1[N+](=O)[O-] 19943921 BMWGOWHJNHRYJI-UHFFFAOYSA-N 399.384 3.123 5 40 GGBB CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(C[C@H]3CCCO3)cnc21 5030601 NJLBQTDJNFYDDO-CQSZACIVSA-N 377.448 3.129 5 40 GGBB CCCc1ccc(OCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 224483199 VQAWECOWVGHQRU-UHFFFAOYSA-N 378.450 3.046 5 40 GGBB CCOC(=O)c1sc(NC(=O)Cn2ccc3c([N+](=O)[O-])cccc32)nc1C 96118843 ZKSGHUSBJPFBEY-UHFFFAOYSA-N 388.405 3.130 5 40 GGBB CC(C)(C)NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 3056164 USYCMSAZWZYTRR-ATVHPVEESA-N 385.395 3.420 5 40 GGBB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 5711169 OSHYVNYNVUGUEH-HNNXBMFYSA-N 389.452 3.000 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])OCc1cc(=O)n2c(n1)sc1ccccc12 24685020 SWZRCBSNCUJBFB-UHFFFAOYSA-N 395.396 3.103 5 40 GGBB O=[N+]([O-])c1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nnnn32)cc1 101070137 CZHNBGJHXJYUKO-HNNXBMFYSA-N 399.208 3.400 5 40 GGBB CN(C)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 27676126 QQTAXWUHKOZJHE-QGZVFWFLSA-N 388.493 3.289 5 40 GGBB COc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c([N+](=O)[O-])cc1OC 3450032 LTJLUFXAXICUSC-UHFFFAOYSA-N 394.767 3.061 5 40 GGBB Cc1ccc(C)c(OCCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 6236781 WNHHECTWFCEARW-UHFFFAOYSA-N 383.448 3.329 5 40 GGBB C[C@@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 5427647 IXOWCRFZRRSUTC-MLGOLLRUSA-N 378.392 3.232 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408642964 QAYVGUUGAWICLQ-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cccc1N(C)S(C)(=O)=O 222436534 VAOQCPYYTCLNJQ-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] 12249417 JDXPQJIIKQEUJN-UHFFFAOYSA-N 386.389 3.288 5 40 GGBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nncc(-c2ccc3c(c2)OCO3)n1 13574093 VOCVTCCRXJKEGU-UHFFFAOYSA-N 382.357 3.139 5 40 GGBB Cc1nn(Cc2ccc(C(=O)NCCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] 1049788 BBEILIUTTAAKST-UHFFFAOYSA-N 378.432 3.429 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1 57366887 IHQYVLZSGISNSB-UHFFFAOYSA-N 375.812 3.299 5 40 GGBB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCC(C(=O)Nc2ccccc2)CC1 12981088 QBTBPJQRHWXLMC-HNNXBMFYSA-N 396.447 3.273 5 40 GGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1)S(C)(=O)=O 13711541 IZMSKCYECJGSEG-QGZVFWFLSA-N 391.449 3.087 5 40 GGBB COc1cc(CCNC(=O)N[C@H]2CCCc3occc32)c([N+](=O)[O-])cc1OC 32803518 RFGDKKDXBMRJAT-AWEZNQCLSA-N 389.408 3.124 5 40 GGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1N1CCCCS1(=O)=O 5439699 QCQQFBQSCKYIFZ-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB COc1ccc([C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)N2CCCC2)cc1 6602486 JEYUITOLIIDDCK-FQEVSTJZSA-N 383.448 3.099 5 40 GGBB COc1ccccc1NC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 8922222 UALJZSROVWDKEP-GOSISDBHSA-N 396.403 3.212 5 40 GGBB CCc1noc([C@@H](C)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 32755530 XKSFLZZLOZRNHM-LLVKDONJSA-N 399.373 3.442 5 40 GGBB CCOC(=O)c1cc(C(=O)/N=c2\cc(C)[nH]c3ccccc23)cc([N+](=O)[O-])c1 32845138 BOZRSQVXDICKQD-UHFFFAOYSA-N 379.372 3.302 5 40 GGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 95958466 MMTRIKDCJRPHRC-OLZOCXBDSA-N 395.431 3.499 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNC2=NC=N[C@H]3SC=C(c4ccccc4)[C@@H]23)cc1 96035802 WMVAHRNVLNIZOC-BJLQDIEVSA-N 394.456 3.388 5 40 GGBB CCC[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102728300 ZKKIRCDRNCNLIV-RCCFBDPRSA-N 381.388 3.073 5 40 GGBB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 1624394 SNBMSGAENDBKPB-MRXNPFEDSA-N 381.171 3.314 5 40 GGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(C)cc2C)NC(=O)N1 6046495 PNPHHWFWJBRFDZ-SFHVURJKSA-N 380.404 3.478 5 40 GGBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(C)=O 4357865 MDWYCKGYNDRONC-MHWRWJLKSA-N 396.355 3.263 5 40 GGBB COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4739319 HIBYDUASFOJNDE-UHFFFAOYSA-N 386.364 3.364 5 40 GGBB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 8378550 RKZSXGOPDHASHV-SFHVURJKSA-N 394.383 3.283 5 40 GGBB COC(=O)[C@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 95443174 NAVSPEPSZGYVBQ-INIZCTEOSA-N 394.387 3.312 5 40 GGBB Cc1c(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] 216926125 APFLMWOUBPLHKA-UHFFFAOYSA-N 383.448 3.306 5 40 GGBB CCOC(=O)C1=C(C)N(C)[C@@H]2C=CC(OC(=O)c3cccc([N+](=O)[O-])c3C)=C[C@@H]12 170591620 ZVIFKQHEDHBMBB-SJLPKXTDSA-N 398.415 3.281 5 40 GGBB COc1ccc(-c2cc(C(F)(F)F)nc(-n3cnc([N+](=O)[O-])c3)n2)cc1OC 4872980 UJJVFNULZDNJEP-UHFFFAOYSA-N 395.297 3.274 5 40 GGBB CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cccc(NC(C)=O)c1 7365888 PVGSNWISMIUTQB-UHFFFAOYSA-N 384.421 3.378 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(N2CCCC2)cc1 10113772 SNGJNZXLZARWPJ-UHFFFAOYSA-N 375.450 3.329 5 40 GGBB O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 8473395 CLQQNYCJRGLAQZ-UHFFFAOYSA-N 394.339 3.480 5 40 GGBB CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 14199059 DRVFPLPGDJJNRW-CYBMUJFWSA-N 387.417 3.100 5 40 GGBB CCOc1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)cc1 8478498 IZBGZYZUAIQAGL-CQSZACIVSA-N 383.404 3.294 5 40 GGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 218283435 FFOTZAQPJIZCQO-NSHDSACASA-N 397.840 3.041 5 40 GGBB Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 32936942 LKMJUTWETWIYFW-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccccc1Br 3229090 BBSDCDVXRHKGRQ-UHFFFAOYSA-N 394.177 3.162 5 40 GGBB Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 10742204 ZTRWJPIPAPOWSJ-UHFFFAOYSA-N 396.447 3.262 5 40 GGBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)[C@H](C)c3ccccc3)cc21 408533374 RYZHRPMSZMPXFU-CYBMUJFWSA-N 382.420 3.493 5 40 GGBB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 409155992 SHNBRXRNMWFZHR-RISCZKNCSA-N 376.438 3.432 5 40 GGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1 210806594 AGISXKPCUVDKRM-XNTDXEJSSA-N 383.385 3.270 5 40 GGBB O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 48200957 NKTOAMYTPBKRKF-MRXNPFEDSA-N 393.237 3.140 5 40 GGBB O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCC1 16121460 MBZRDTKVYQQBSL-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCCS(=O)(=O)c1ccc(C)cc1 10218584 TYRUNNBMQOWLNT-UHFFFAOYSA-N 392.433 3.104 5 40 GGBB CC1(C)c2ccccc2N(CCC(N)=O)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 1054030 YINHZQFZNPQVBA-NRFANRHFSA-N 379.416 3.370 5 40 GGBB O=C(C[C@H]1SC(N2CCCCC2)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 5156928 GKZHDDXZSJYHCL-CYBMUJFWSA-N 396.856 3.061 5 40 GGBB O=c1c2cc(Cl)ccc2nc(C[n+]2ccccc2)n1-c1ccc([N+](=O)[O-])cc1 1506738 CBWVEPGUXGDMMM-UHFFFAOYSA-N 393.810 3.283 5 40 GGBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccn(OCc2cccc(Cl)c2)c1=O 4162917 CAGIPDMIZFHURN-UHFFFAOYSA-N 399.790 3.291 5 40 GGBB O=C(/C=C/c1ccc(Cl)cc1)N[C@@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O 6512001 VCMOZQACUJPBAC-ILNGBFOMSA-N 384.779 3.101 5 40 GGBB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 11001955 CXMCSVXCGCUJPD-FLVLSHQESA-N 379.416 3.485 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc(C)c2C)CC1=O 408672622 VQMFQNBPLWCDQH-AWEZNQCLSA-N 384.388 3.179 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(I)cc1 778000 YESMNFMWUZPINL-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])C[S@](=O)C2 4106096 ZJAGIAXVKDDWGY-MUUNZHRXSA-N 396.428 3.104 5 40 GGBB Cc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 4904752 FBYLOVBPBFXZKD-UHFFFAOYSA-N 387.395 3.417 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 7928451 FKCVGVXSAQNJRF-CQSZACIVSA-N 383.404 3.212 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 8414408 RVQRMWZGZJJMMN-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)c1ccccc1 11187221 SVVAXLJCJDQDPL-ZDUSSCGKSA-N 398.371 3.098 5 40 GGBB CC(C)n1c(=O)sc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 225147399 HFDNXMLSTIOHCK-UHFFFAOYSA-N 393.446 3.353 5 40 GGBB Cc1ccc2nc(NC(=O)c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)sc2c1 3429703 ZXTQRXRIFGGQHF-UHFFFAOYSA-N 391.430 3.169 5 40 GGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3cccc(Cl)c3C)[n+]2[O-])cc1 5005449 WIBOCAZKRMZXAI-UHFFFAOYSA-N 375.772 3.128 5 40 GGBB Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7433153 CQKFIXDXQUJSBP-UHFFFAOYSA-N 392.795 3.426 5 40 GGBB COc1cc(Cn2nc(-c3cccs3)oc2=O)c([N+](=O)[O-])cc1OC(F)F 9726374 UTLBYSWAGHOARL-UHFFFAOYSA-N 399.331 3.131 5 40 GGBB Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 3368082 MDJUBEYRNVZUDF-UHFFFAOYSA-N 398.448 3.227 5 40 GGBB O=C(c1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 12981058 PVGPKLBNMFCZFN-UHFFFAOYSA-N 395.440 3.408 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Br)o1 41091662 AISJEHUWPQBIDU-UHFFFAOYSA-N 396.197 3.039 5 40 GGBB CCc1cccc2c(C(=O)Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c[nH]c12 4515829 SVHYFODOVGPKOW-UHFFFAOYSA-N 376.372 3.231 5 40 GGBB Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)c2nnc(S)[nH]2)cc1 4892042 NDYUITKNMUIORF-XNTDXEJSSA-N 381.417 3.238 5 40 GGBB COc1ccc(OC)c2c1CN(c1ccc([N+](=O)[O-])c3cccnc13)C[C@@H]2O 12757065 VAWKWMIUPCMORQ-INIZCTEOSA-N 381.388 3.214 5 40 GGBB CCOC(=O)c1cc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 10857000 IKVZBNNTIJKTKJ-LLVKDONJSA-N 389.335 3.339 5 40 GGBB O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)c1c(F)cccc1F 16748075 NIFFOCRAWMHUNJ-UHFFFAOYSA-N 376.315 3.009 5 40 GGBB CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 17729799 DOCINWIVBBZBDP-MHZLTWQESA-N 395.349 3.480 5 40 GGBB Nc1ccc(C(=O)NCCSc2ccc(Br)cc2)cc1[N+](=O)[O-] 8728374 MEXDXKDOBRBBEJ-UHFFFAOYSA-N 396.266 3.462 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3[nH]c3ccc(F)cc34)CC2)cc1 5024400 ORHKGXJUYCNZNI-UHFFFAOYSA-N 392.394 3.485 5 40 GGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 7881658 DUBXIDAQHXLFLB-HOCLYGCPSA-N 396.399 3.071 5 40 GGBB CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(N)cc1 4676582 QZJGZAFVJPZTIR-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] 408556539 KOLCRWHFUOUKDO-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222754736 QASJKLPKWWCPOK-MSOLQXFVSA-N 379.445 3.383 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)[S@](c1ccc(Br)cc1)=NS2(=O)=O 976703 QZUCRZKNXXRCTI-HXUWFJFHSA-N 387.236 3.280 5 40 GGBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 1467342 NUWVXEOVDJQXNS-QGZVFWFLSA-N 376.376 3.114 5 40 GGBB CC(C)(C)c1ccc(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1 2665155 RPHHECFTBBXDNC-UHFFFAOYSA-N 380.404 3.241 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])C1 5832737 UNBVRMVTBPLRDD-CQSZACIVSA-N 397.431 3.490 5 40 GGBB CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 13303500 WKPIQJKGQCVDDY-HHHXNRCGSA-N 395.349 3.480 5 40 GGBB CCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 18157183 ZKKIRCDRNCNLIV-KURKYZTESA-N 381.388 3.073 5 40 GGBB COc1ccc(C(=O)Nc2cc(C(=O)O)cc(Cl)c2OC)cc1[N+](=O)[O-] 20142485 WNEJFQWZXFOBDE-UHFFFAOYSA-N 380.740 3.216 5 40 GGBB COc1cc2c(cc1OC)CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 30673328 RBJRYTITZLOVIL-UHFFFAOYSA-N 399.447 3.307 5 40 GGBB COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] 95989257 KGNNIMXOYCIOAX-OLZOCXBDSA-N 393.440 3.073 5 40 GGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(C)C 409330302 KWZZPTQGWVEDPO-SOFGYWHQSA-N 375.381 3.400 5 40 GGBB CC(C)(C)c1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(C(C)(C)C)c1O 107608984 YZOOMDVSIAASMV-BQYQJAHWSA-N 387.436 3.442 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847478 SZQUKSDPJDSYML-CADBVGFASA-N 394.383 3.362 5 40 GGBB C[N+]1(C)[C@@H]2C=C[C@H]1C[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 100068167 ZSFMCDALUUSWAN-FICVDOATSA-N 376.523 3.135 5 40 GGBB COc1cc(N)c(Cl)cc1C(=O)O[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 11456432 OFTYWUPMYLTIGF-VIFPVBQESA-N 393.783 3.023 5 40 GGBB O=C(O)c1cc(Cl)c(Cl)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 226354508 LVGZUIDWGBFFNW-UHFFFAOYSA-N 391.188 3.401 5 40 GGBB Cc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220399163 PPOQUWXWXNPDBA-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB COc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 12561517 BMTYJIHFBWWYPU-UHFFFAOYSA-N 383.448 3.478 5 40 GGBB O=C(CCc1c[nH]c2ccccc12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48306016 QBWVWMXOCKQCOO-UHFFFAOYSA-N 378.432 3.358 5 40 GGBB Cc1ccc([C@](O)(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C(F)(F)F)o1 12800241 XKDXKCLLDKILCB-OAHLLOKOSA-N 387.314 3.458 5 40 GGBB CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)cc1 2440841 RGUDXLXUGALMNO-UHFFFAOYSA-N 389.455 3.062 5 40 GGBB C[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cc2ccccc2o1 8240036 ZTINXSTVUZIFLA-NSHDSACASA-N 381.344 3.126 5 40 GGBB Cc1ccc(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 95454069 OVXUYJWLCZMJKU-MAUKXSAKSA-N 387.823 3.258 5 40 GGBB CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 26540541 JBUBVJUTUWLJHS-UHFFFAOYSA-N 393.421 3.004 5 40 GGBB Cc1c(C(=O)OCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cccc1[N+](=O)[O-] 3303024 GLGNQESBINDGDN-UHFFFAOYSA-N 399.428 3.437 5 40 GGBB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1ccc([N+](=O)[O-])cc1Cl 5830026 YJMATIUPBNFDMN-UHFFFAOYSA-N 393.190 3.194 5 40 GGBB CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 12808727 NFSTXARXFSIJOW-ZIAGYGMSSA-N 397.431 3.117 5 40 GGBB Cc1nn(CC(=O)N[C@H](C)c2ccccc2Br)c(C)c1[N+](=O)[O-] 14016925 HHZALINQUPHHGD-SECBINFHSA-N 381.230 3.048 5 40 GGBB CCc1c(C)n(CC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3n2c1=O 20798305 WYSJRHVULIKNRL-UHFFFAOYSA-N 390.399 3.311 5 40 GGBB COCCCCN1C(=O)[C@H](Oc2cccc(F)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 58154934 BBPPKQKCDODQPS-RBUKOAKNSA-N 388.395 3.491 5 40 GGBB C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 78876394 JJAGUSUGILIBSB-SNVBAGLBSA-N 385.239 3.397 5 40 GGBB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 223985964 VARHIEBDDFRYMU-UHFFFAOYSA-N 378.450 3.250 5 40 GGBB COc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1[N+](=O)[O-] 408603989 CLXJEKLHKYWTLQ-IBGZPJMESA-N 395.459 3.266 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](c2ccccc2)S(=O)(=O)N2CCCCC2)cc1 1717717 OMCFOPZCPDRAMX-RTBURBONSA-N 390.461 3.185 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 7882595 DEWKQWXPKAACCD-CQSZACIVSA-N 383.404 3.212 5 40 GGBB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 10543988 WEEUNCMCQQEFBM-CYBMUJFWSA-N 394.449 3.432 5 40 GGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)cc1 100446491 TVACDTLEHKXZTK-UHFFFAOYSA-N 396.222 3.190 5 40 GGBB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1 20154328 KZWDLAILRZTGRE-UHFFFAOYSA-N 398.463 3.145 5 40 GGBB COc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC 8775187 WHMYLMMMLIIOQS-UHFFFAOYSA-N 394.449 3.050 5 40 GGBB CC(=O)OCCCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 97165048 ANXGNRLWCPRNDB-UHFFFAOYSA-N 392.433 3.200 5 40 GGBB COc1cc2c(cc1OC)CN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC2 30673336 KTEUDQZGTKUMNR-UHFFFAOYSA-N 399.447 3.307 5 40 GGBB CC(C)NC(=O)c1cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2oc1=O 941588 AXOADZGSLXQXEM-UHFFFAOYSA-N 396.355 3.059 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(c2ccc(Cl)nn2)CC1 4543448 PBPHZZWJOGVQAK-UHFFFAOYSA-N 387.749 3.384 5 40 GGBB Cc1ccc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 10327446 AIPSZQFNKZXFNW-UHFFFAOYSA-N 381.432 3.323 5 40 GGBB Cn1cc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 67095404 UIYINOTZJPZNHP-SJLPKXTDSA-N 380.379 3.420 5 40 GGBB CC1(C)CCc2ccccc2[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 89919507 RXAOTNFIMUCPCZ-LJQANCHMSA-N 381.432 3.155 5 40 GGBB O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 3664507 JKVSYMAWOGLYCA-UHFFFAOYSA-N 388.339 3.043 5 40 GGBB O=C(NC1CCCC1)c1cc2c(=O)n3ccccc3nc2nc1NC1CCCC1 20059582 ZMUGXSGTUANGEH-UHFFFAOYSA-N 391.475 3.270 5 40 GGBB COc1cc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC 5440687 HCOSOTTUBCCACS-UHFFFAOYSA-N 399.403 3.300 5 40 GGBB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2C)s1 8684584 ZHDOVUCAUPFVHL-SECBINFHSA-N 396.450 3.051 5 40 GGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C(=O)N1c1ccc2ccccc2c1 103618101 GESFOBMJOSOOIB-PKOBYXMFSA-N 387.351 3.041 5 40 GGBB Nc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-] 8745101 VJEXTOZITQXFND-UHFFFAOYSA-N 385.195 3.041 5 40 GGBB CC[C@H](Oc1ccccc1)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 8921777 FRSKAHHUPKKZKE-KRWDZBQOSA-N 388.420 3.128 5 40 GGBB C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C)c1=S 24654670 IXZCTYZIVPATJJ-LBPRGKRZSA-N 382.449 3.330 5 40 GGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 10119889 WXHLIEFCZYQORQ-UHFFFAOYSA-N 396.388 3.022 5 40 GGBB COc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1OC(C)C 10543756 JMOVIFMTKNEXMQ-UHFFFAOYSA-N 394.449 3.178 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F 6349455 WEUZEUGJUBQCTD-MRXNPFEDSA-N 386.335 3.197 5 40 GGBB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2cccnc2)cc1[N+](=O)[O-] 47081085 YCKYOEYSTRKRQC-UHFFFAOYSA-N 390.399 3.481 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2cccc(Cl)c2)c1=O 5270642 XRPJHZZSJITBNV-UHFFFAOYSA-N 390.808 3.167 5 40 GGBB Cc1cc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c(C)o1 36709498 GGNXEYITAPYYHU-UHFFFAOYSA-N 386.433 3.377 5 40 GGBB COCCN(CCOC)c1c([N+](=O)[O-])cnc2ccc(Br)cc12 32803831 QWNCORUQPIDFIT-UHFFFAOYSA-N 384.230 3.005 5 40 GGBB C[C@@H]1CN(C(=O)C2CCN([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 106073138 QGDKVZDNIDFJKK-BZUAXINKSA-N 375.469 3.004 5 40 GGBB COc1cc(F)ccc1NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 25311091 BZJBZPOSRHVHBB-UHFFFAOYSA-N 389.339 3.069 5 40 GGBB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 12801450 CMZLYHJKJKEAHW-ZHACJKMWSA-N 393.443 3.163 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)/C=C/c1ccccc1 7068441 BVZHVDSFIZXUGS-PCUGXKRQSA-N 381.432 3.334 5 40 GGBB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 239203312 SCWWAYWLUYOKRM-JUKMUDQWSA-N 389.408 3.050 5 40 GGBB COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(C)cc2C)cc1[N+](=O)[O-] 5281695 PGSYTQFVCMDNKR-UHFFFAOYSA-N 386.404 3.036 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 40093712 ULLGVDRNPTXIBB-RISCZKNCSA-N 380.422 3.141 5 40 GGBB CCOC(=O)c1cc2[nH]c3ccccc3c2[n+](-c2ccc([N+](=O)[O-])cc2)c1N 1208769 DZGBNJGWYLRSJY-UHFFFAOYSA-O 377.380 3.265 5 40 GGBB C[C@H](Sc1nnc(-c2ccccc2O)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 4893531 MQCKQDKGHAKFRR-JTQLQIEISA-N 386.389 3.470 5 40 GGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 19314787 HUEFHTVBOJFHSB-SFHVURJKSA-N 388.420 3.344 5 40 GGBB COc1ccc(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c(OC)c1 3227458 SBFYVBCGRGZFNP-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB O=[N+]([O-])c1ccc(Cl)c(NC(=S)N2CCN(c3ccccn3)CC2)c1 3325908 FPBGUSAURBXZAB-UHFFFAOYSA-N 377.857 3.162 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 39357391 GAVJZOPCSSTTKV-RHSMWYFYSA-N 389.820 3.457 5 40 GGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)c1ccccc1 4245810 BKCKAMYGEOCICQ-UHFFFAOYSA-N 382.294 3.452 5 40 GGBB COc1cc(C(=O)NCCSCc2ccccc2F)c([N+](=O)[O-])cc1OC 18160542 ZSOPREGMPOIRCG-UHFFFAOYSA-N 394.424 3.414 5 40 GGBB Cc1ccccc1N1C(=O)c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C1=O 95471014 LZEPZEFRHASHMT-UHFFFAOYSA-N 391.383 3.261 5 40 GGBB C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccccc1 78876386 JJAGUSUGILIBSB-JTQLQIEISA-N 385.239 3.397 5 40 GGBB Cc1cc(N(CCCO)Cc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 95428368 WKOURWOOBZKMCJ-UHFFFAOYSA-N 379.420 3.144 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)c1C 7325448 IAESXYQJDXSUNS-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] 95989259 KGNNIMXOYCIOAX-CHWSQXEVSA-N 393.440 3.073 5 40 GGBB O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(Cl)cc1 5067265 UVUQKZDKQFBQER-GOSISDBHSA-N 385.763 3.075 5 40 GGBB CSCCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 3343603 XQRWKYREDQVLQK-UHFFFAOYSA-N 380.447 3.119 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1 3342877 NSIPALWKVWPYOK-UHFFFAOYSA-N 397.840 3.059 5 40 GGBB O=c1cc(COc2cc(F)ccc2[N+](=O)[O-])nc2ccc(Br)cn12 3536534 OOQUSHGRVVNINS-UHFFFAOYSA-N 394.156 3.083 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(OC)c(OC)c1 20456262 YHQNRDDYIHIACB-UHFFFAOYSA-N 378.406 3.351 5 40 GGBB COc1ccc(Br)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 409376202 VWXMCYYIQSEECD-UHFFFAOYSA-N 395.165 3.316 5 40 GGBB COc1ccc(OC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)cc1 48273879 ZVJIXOJESCCQBB-UHFFFAOYSA-N 382.420 3.454 5 40 GGBB CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 5071518 LSGXXGLHXNPQHT-GTNSWQLSSA-N 382.800 3.078 5 40 GGBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc21 16745987 XOHGXRNAESTBPW-ZDUSSCGKSA-N 396.399 3.240 5 40 GGBB CNC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CC2)cc1 26118256 RUXAVKFICFAAIC-UHFFFAOYSA-N 387.823 3.413 5 40 GGBB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)Cc1ccccc1[N+](=O)[O-] 218163158 FGXZCWRKIUDOAZ-UHFFFAOYSA-N 386.795 3.499 5 40 GGBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccc2c(c1)OCO2 3197098 HPHAGFDACHQENU-QHHAFSJGSA-N 392.314 3.255 5 40 GGBB O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 5839407 XGKPNPUBIREAAL-UHFFFAOYSA-N 383.404 3.244 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)CCc1ccc(O)cc1)[N+](C)(C)CC3)OCO2 1280309 AWKXAOFEYOIQGV-IBGZPJMESA-O 398.479 3.395 5 40 GGBB biogenic O=C1CCCCC[C@H]1[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 12377259 HPIFBOJEIBTWIA-XMSQKQJNSA-N 394.427 3.479 5 40 GGBB CNc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] 12546158 QNAGCIQGINTWDJ-QVHKTLOISA-N 377.441 3.123 5 40 GGBB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1OC 30426662 NSXFWEQEPHKDGB-CYBMUJFWSA-N 382.463 3.363 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])o1 33590325 KQNCCEDBASDZIJ-ZZXKWVIFSA-N 384.304 3.031 5 40 GGBB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)OC2=O 100260677 VFENXSBMYVPBTO-HZPDHXFCSA-N 397.225 3.418 5 40 GGBB CCc1cc(N2CCN([C@@H]3CCSC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 79076554 OIBIFFBQOWHMDO-GOSISDBHSA-N 399.520 3.242 5 40 GGBB COCCn1c(C)cc(C(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 3394317 SNHRMMAAAKVUAN-UHFFFAOYSA-N 394.811 3.353 5 40 GGBB O=c1[nH]c(O)nc(/C=C/c2ccc(OCc3cccc(F)c3)cc2)c1[N+](=O)[O-] 13945817 VICJGTIPBYMSML-RMKNXTFCSA-N 383.335 3.272 5 40 GGBB COc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1[N+](=O)[O-] 219824105 GVKIMCHOFMYDCU-UHFFFAOYSA-N 381.728 3.183 5 40 GGBB COC(=O)c1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 5879488 PLODLQMPLMELHS-UHFFFAOYSA-N 393.808 3.162 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 4953578 BPWMWNACLRHPAX-OGXIQJDLSA-N 377.194 3.059 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6970241 XHNQMZHQDHTKEC-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Oc1cccc(Cl)c1Cl 21587429 CRYFBLNWVHYTKR-UHFFFAOYSA-N 397.170 3.233 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 950602 TUERQQJYVAJYGW-GOSISDBHSA-N 391.387 3.176 5 40 GGBB O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NCc1ccccc1Cl 4922588 KDSLDHVBQBIUJE-UHFFFAOYSA-N 380.191 3.333 5 40 GGBB CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101075237 OQTSTRMAGBTNRN-FHWLQOOXSA-N 395.415 3.319 5 40 GGBB NS(=O)(=O)c1ccc(NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 7141235 ROTAGCJXTPBGQJ-UHFFFAOYSA-N 383.429 3.444 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H](c1cccs1)N1CCCCC1 27741309 ZNWCBHDAMBKPKX-KRWDZBQOSA-N 389.477 3.379 5 40 GGBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(C)=O 225803007 GTNIVICYEOTDOY-UHFFFAOYSA-N 395.462 3.384 5 40 GGBB C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 5078703 XOONISWNQPOLLQ-NSHDSACASA-N 376.390 3.190 5 40 GGBB CN(CCOc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 5688684 JCKKAVUUFJBQAI-UHFFFAOYSA-N 384.841 3.167 5 40 GGBB O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 3178018 ZGHNSRAKMOUHFI-LEWJYISDSA-N 384.496 3.015 5 40 GGBB O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 4614766 RMUPHSQAYMPSJP-UHFFFAOYSA-N 375.797 3.199 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)o1 4891223 QYOMOAPJVOQVAX-UHFFFAOYSA-N 386.389 3.390 5 40 GGBB Cc1ccc2[nH]c3nc(SCC(=O)Nc4cccc([N+](=O)[O-])c4)nnc3c2c1 4976310 QDIUHLOPKXQHIS-UHFFFAOYSA-N 394.416 3.454 5 40 GGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 6638565 FHTFOSIFQLXYNN-KRZKXXONSA-N 394.475 3.253 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCNC(=O)/C=C/c1ccccc1 7068448 BVZHVDSFIZXUGS-LPQFERQCSA-N 381.432 3.334 5 40 GGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)C1 7785393 QZWRQUOYQCBNBA-AWEZNQCLSA-N 390.465 3.023 5 40 GGBB CN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1cc([N+](=O)[O-])ccc1Cl 8883594 QITIKAPUGZMDCQ-UHFFFAOYSA-N 377.784 3.047 5 40 GGBB Cc1csc(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)n1 2762359 BVRTYSXZHJUUGH-UHFFFAOYSA-N 381.801 3.412 5 40 GGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cccnc1 4996667 XSUDEUNKJSPAMY-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB COc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 57674836 ARBMUTHJQIRYFU-INIZCTEOSA-N 398.463 3.061 5 40 GGBB O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1ccc(Cl)cc1 5067380 KKGJWZRXXXEXDJ-SFHVURJKSA-N 385.763 3.075 5 40 GGBB COCc1c(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])oc2ccccc12 5203334 XKUSMSRNSOIJEB-UHFFFAOYSA-N 384.344 3.283 5 40 GGBB Cc1ccc2[nH]/c(=N\C(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2c1 4520464 VRPLXRJFUXTHQH-UHFFFAOYSA-N 386.458 3.370 5 40 GGBB CCOc1ccc(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 22050825 JRHAASLUFZRAEZ-UHFFFAOYSA-N 375.337 3.228 5 40 GGBB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 223692196 ACYDRBITRGTXEZ-UHFFFAOYSA-N 378.450 3.250 5 40 GGBB CCC(=O)Oc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC 818006 PUDMSDFAMOWUML-DHDCSXOGSA-N 396.355 3.263 5 40 GGBB Cc1cccc(C)c1N1C(=O)C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C1=O 5321910 NXBITKVWCJVQEP-FQEVSTJZSA-N 379.372 3.038 5 40 GGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1)S(C)(=O)=O 13711548 IZXPCPTUPFDPNA-MRXNPFEDSA-N 391.449 3.087 5 40 GGBB O=C(N[C@H]1CCCc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895457 AYXVELBWGXTTDA-SFHVURJKSA-N 381.432 3.239 5 40 GGBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc([N+](=O)[O-])cc1 13001621 XESPUNKISVWDEY-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB COc1ccc(/C=C/C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 6054298 ASVRQFIFJBMGDI-NYYWCZLTSA-N 381.344 3.410 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1nn(-c2ccccc2)c(=O)c2ccccc12 5853202 YYOBDOOTJYPTTL-UHFFFAOYSA-N 393.384 3.003 5 40 GGBB Cc1ccccc1CSCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 408705959 RHWMDBBIDCBRMG-UHFFFAOYSA-N 380.491 3.423 5 40 GGBB O=C1CCCCC[C@@H]1[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 12377260 HPIFBOJEIBTWIA-AVRDEDQJSA-N 394.427 3.479 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)cc1 12947362 PAZPDJGVORKADJ-UHFFFAOYSA-N 375.431 3.197 5 40 GGBB Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1[N+](=O)[O-] 104261756 QFHXXZWSRJRXBK-UHFFFAOYSA-N 393.224 3.203 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCCCC2)nc1 48261596 BZAZLIPARWJTFW-UHFFFAOYSA-N 384.436 3.309 5 40 GGBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NS(C)(=O)=O 10314373 PWKDOGLMPOJOPX-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCC1(c2ccccc2)CC1 11750414 SOBMMPZLHYHVJO-UHFFFAOYSA-N 395.415 3.131 5 40 GGBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 4306105 XZIQWIUMRKQKKU-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB COc1ccc(Cc2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 409390006 BMNCWSJMARGKOK-UHFFFAOYSA-N 385.401 3.439 5 40 GGBB Cc1ccc(NC(=O)CN2CCCN(CC3CCCCC3)CC2)cc1[N+](=O)[O-] 59424638 CIWCFUBTHLBZAS-UHFFFAOYSA-N 388.512 3.430 5 40 GGBB COc1cc2nc(S)n3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2cc1OC 4919939 XYTBZEJTLJHRJA-UHFFFAOYSA-N 383.389 3.159 5 40 GGBB O=c1c2ccccc2ncn1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12360129 HOBJQOKNUFJKJX-UHFFFAOYSA-N 378.310 3.436 5 40 GGBB CC1=C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 100838249 KMRYRSRGMQBZBX-INIZCTEOSA-N 376.376 3.357 5 40 GGBB CCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 2114143 YWFMZDPCNQKBLJ-KRWDZBQOSA-N 383.400 3.085 5 40 GGBB biogenic O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NCCCOCc1ccccc1 25551752 WFVZKARGSHRQIR-UHFFFAOYSA-N 378.812 3.350 5 40 GGBB O=C(Nc1ccc(OC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1)c1ccco1 27213258 JZZJLJCFZLHJHD-MRXNPFEDSA-N 398.371 3.259 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(OCc2ccccc2F)c1=O 4326184 HAPHPIKYXQRLDX-UHFFFAOYSA-N 397.362 3.085 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C 907283 KSNOYQFHYAAFNG-LBPRGKRZSA-N 398.448 3.213 5 40 GGBB O=C(Oc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccco1 6336735 XPNHPMPNTQBMIV-UHFFFAOYSA-N 378.296 3.208 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2[N+](=O)[O-])C1 12510646 DMVOOXGHHWIZJY-HNNXBMFYSA-N 386.496 3.188 5 40 GGBB CCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1 14031073 VHVQGBOAUPAVDC-UHFFFAOYSA-N 375.406 3.216 5 40 GGBB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1 20154282 UFJQHDGRVGSUCR-UHFFFAOYSA-N 384.436 3.044 5 40 GGBB COc1cc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2[N+](=O)[O-])cc(OC)c1 22473348 DENHWMSXXRFRFH-LLVKDONJSA-N 376.365 3.027 5 40 GGBB CN(Cc1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 24444276 GLRHISMAYBTMON-UHFFFAOYSA-N 390.339 3.314 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 25907822 IUKNJUYXSYCMAB-WDEREUQCSA-N 375.347 3.253 5 40 GGBB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 43465569 YMVOKEXGZHVCDE-UHFFFAOYSA-N 384.480 3.395 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](Nc2ccccc2)C1 84041485 VRHODXJXLMRGPG-INIZCTEOSA-N 375.450 3.168 5 40 GGBB Cc1ccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 101844804 JMKYASHNZLWNNN-VJANTYMQSA-N 394.383 3.362 5 40 GGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2308294 PQNGXGKHCIZLEF-UHFFFAOYSA-N 399.454 3.379 5 40 GGBB CCOC(=O)Cc1csc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 3433695 DIODCWQQPKEMDJ-UHFFFAOYSA-N 396.446 3.316 5 40 GGBB O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc([N+](=O)[O-])cc1 4159799 OUDZPGAWLADNDL-UHFFFAOYSA-N 389.367 3.373 5 40 GGBB COc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 6757427 XUUUPOSWZODQPT-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 1467354 DLJRGJCMTTVXLO-SFHVURJKSA-N 390.403 3.422 5 40 GGBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1 3506555 FLNPYYYZWUHNDZ-UHFFFAOYSA-N 379.166 3.153 5 40 GGBB COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)sc(C)c1C 4577025 SYUGETFUYVEFOV-UHFFFAOYSA-N 378.406 3.386 5 40 GGBB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4)sc3nc12 4605104 ORNFMKYEGOLADZ-UHFFFAOYSA-N 380.385 3.378 5 40 GGBB O=[N+]([O-])c1ccc([C@H]2Nc3cc(Cl)c(Cl)cc3S(=O)(=O)N2O)cc1 5022852 XZZKFXGPAMRYOJ-ZDUSSCGKSA-N 390.204 3.406 5 40 GGBB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc([N+](=O)[O-])cc1 5029073 SJLZXCMPMJFLNP-UHFFFAOYSA-N 382.380 3.108 5 40 GGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7881391 USHYWGHWXXOAHH-GDBMZVCRSA-N 396.399 3.071 5 40 GGBB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)c1 14795870 NJXOHYRCGOHZQR-UHFFFAOYSA-N 375.406 3.214 5 40 GGBB CNS(=O)(=O)c1ccc(Nc2ccc3nc(C)sc3c2)c([N+](=O)[O-])c1 20666889 ARRULAJDEQJSLC-UHFFFAOYSA-N 378.435 3.165 5 40 GGBB CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cnc21 32097934 JUIBWSHUWHRDMU-UHFFFAOYSA-N 395.828 3.375 5 40 GGBB CCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1C 95457186 ODEPFTCIXHBVES-UHFFFAOYSA-N 392.359 3.248 5 40 GGBB O=C1N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1Cc1ccccc1F 409094802 GITFBGHISLPEPF-AWNIVKPZSA-N 391.742 3.186 5 40 GGBB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 10337727 IRSVPFBSWXTLNP-CQSZACIVSA-N 391.449 3.005 5 40 GGBB Cc1cc(Cl)ccc1N(CC(=O)O)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081596 MADQFJABHAJAHG-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB CCOC(=O)c1nc2ccccc2cc1NC(=O)COc1cccc([N+](=O)[O-])c1 1529791203 WEMRIJOKPAUTRM-UHFFFAOYSA-N 395.371 3.337 5 40 GGBB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] 24334671 GQOACPMWAHEGGC-KRWDZBQOSA-N 389.839 3.052 5 40 GGBB COc1ccc(OCC(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 10010662 DSDKSFQMKCRPCU-UHFFFAOYSA-N 389.389 3.239 5 40 GGBB COc1cc(CNc2cc([N+](=O)[O-])ccc2NCCO)ccc1OC(F)F 22357335 RHXHXAQGNRJXQQ-UHFFFAOYSA-N 383.351 3.221 5 40 GGBB Cc1nn(Cc2c(C(=O)Nc3cc(F)ccc3F)noc2C)c(C)c1[N+](=O)[O-] 17079881 JMOAUNIYUQALCS-UHFFFAOYSA-N 391.334 3.283 5 40 GGBB CC(C)(C)NS(=O)(=O)c1ccc(N[C@@H]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 84199590 ARZYNIWWDDXLFY-UKRRQHHQSA-N 399.513 3.025 5 40 GGBB Cc1c(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)cccc1[N+](=O)[O-] 30757938 WBTSTJHIXDAKDM-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB COc1ccc2c(c1)OCC(/C=C1/N=C(c3cccc([N+](=O)[O-])c3)OC1=O)=C2 98003000 MKWMOMPCCFLZNQ-CAOOACKPSA-N 378.340 3.267 5 40 GGBB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 14404428 QYUOUGZDVKUFQA-UHFFFAOYSA-N 379.376 3.439 5 40 GGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(=O)NC[C@H]1CCCO1 14831576 URDNAIZNDSIZLM-SXSDINLZSA-N 395.415 3.156 5 40 GGBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1ccoc1)c1ccc([N+](=O)[O-])cc1 3641585 GZUVUPDJOMYFJQ-KRWDZBQOSA-N 378.344 3.099 5 40 GGBB C[C@@H](OC(=O)c1cccn1C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4564351 SUEDDUPVBQWVNH-SECBINFHSA-N 385.298 3.136 5 40 GGBB COc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N2CCCC2)cc1 12878124 AWXGPDCVNHOTIU-LJQANCHMSA-N 383.448 3.479 5 40 GGBB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 24205616 JLJQZZNTOQYAHW-JXMROGBWSA-N 388.351 3.328 5 40 GGBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 35771282 LUQAVJRATHJPSA-FPYGCLRLSA-N 377.809 3.480 5 40 GGBB CCOC(=O)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)C1CC1 48300532 CLNHKXMQPBCVGG-UHFFFAOYSA-N 392.455 3.099 5 40 GGBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC1(C)CCC1 79022529 NFMCJJJMRJAPIZ-HNNXBMFYSA-N 381.860 3.309 5 40 GGBB CCN(c1ccc(Cl)c(C(=O)OC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036903 RRKUAXIQAHLHHY-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB Cc1[nH]nc(C(=O)NCc2ccccc2-c2ccc(CN(C)C)cc2)c1[N+](=O)[O-] 78720410 KYAUGOGGXCVMMZ-UHFFFAOYSA-N 393.447 3.285 5 40 GGBB CCOc1ccc([C@@H]2C([N+](=O)[O-])=C(N)Oc3c2c(=O)oc2ccccc32)cc1 988730 UWODODOXWYRTLP-HNNXBMFYSA-N 380.356 3.121 5 40 GGBB COc1ccc(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c(OC)c1 12699860 AHWYLFLVWFSIDJ-UHFFFAOYSA-N 378.812 3.467 5 40 GGBB Cc1cccc(C(=O)NCc2nnc(SCc3ccccc3[N+](=O)[O-])n2C)c1 7871076 DICFXSWAOATBJD-UHFFFAOYSA-N 397.460 3.254 5 40 GGBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 8279591 MFLKEVOXRWATRV-GFCCVEGCSA-N 398.444 3.154 5 40 GGBB Cc1sc2nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n(C)c(=O)c2c1C 16755686 UZIBENOAEIUJNP-UHFFFAOYSA-N 389.458 3.495 5 40 GGBB Cc1c(CSc2nnc3n(C)c(=O)c4ccccc4n23)cccc1[N+](=O)[O-] 40127783 AJHBSPCKTDEVRH-UHFFFAOYSA-N 381.417 3.090 5 40 GGBB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c1 40114971 SLHNQACQLVOGHJ-CYBMUJFWSA-N 398.419 3.229 5 40 GGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(C(=O)NC2CC2)c1 10634080 IPRWGWHYOFFGLK-UHFFFAOYSA-N 389.795 3.158 5 40 GGBB Cc1c(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 12894972 MGRSFPHYYXWMAG-ZDUSSCGKSA-N 376.434 3.140 5 40 GGBB COc1cc2c(c(OC)c1OC)CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 83925340 KHTFDCCPRRWJCB-UHFFFAOYSA-N 390.411 3.361 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccccc1Cl 5583990 XCTMAJRUNZTGMT-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCOCC1 2301204 UQNGFBVMEKGKNY-SNAWJCMRSA-N 399.359 3.167 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)c1cccc([N+](=O)[O-])c1)N(C)CC3)OCO2 20112695 MUKWFEHXGUOSQQ-OAHLLOKOSA-N 384.388 3.134 5 40 GGBB biogenic C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(Cl)c1)S(C)(=O)=O 7872128 YPFORZDQUFGKPC-LLVKDONJSA-N 397.840 3.041 5 40 GGBB Cn1c(=O)c([N+](=O)[O-])c(N2CCN(c3cccc(Cl)c3)CC2)c2ccccc21 8743149 ZOSNYODNAQBBHE-UHFFFAOYSA-N 398.850 3.427 5 40 GGBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 224669897 YUMIPNGMDWAQIZ-QGZVFWFLSA-N 397.475 3.389 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(NCN3CCCCC3)cc2)cc1 1565819 IONNLWUUCPQVFG-UHFFFAOYSA-N 375.450 3.283 5 40 GGBB CC(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 6552632 QUWAPNGUCZSPPO-UHFFFAOYSA-N 397.416 3.329 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1ccc(N2CCCC2=O)cc1 7069420 CUKOYVFVUFYGBA-HNNXBMFYSA-N 381.432 3.484 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 7882200 STDYFTSYSHUERJ-UKRRQHHQSA-N 383.404 3.152 5 40 GGBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1 15011686 UHDOGMFMIUYZPC-NTUHNPAUSA-N 387.329 3.450 5 40 GGBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259974 RDKDBHIXVVFPEN-BJMVGYQFSA-N 398.394 3.123 5 40 GGBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224633769 GWSBEVWKZMIHDL-MRXNPFEDSA-N 383.448 3.081 5 40 GGBB COc1ccc(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])nn2)cc1OC 408531951 MXEIEPIXIIITMV-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB CSCC[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nnc2ccccn12 8988171 GUZZRWVJLFQCNJ-AWEZNQCLSA-N 386.437 3.253 5 40 GGBB COc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1OC 10010560 FNHGLGPKPYIMRH-UHFFFAOYSA-N 389.389 3.483 5 40 GGBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)ccc21 16750547 XINDLSQSTDTKJB-ZDUSSCGKSA-N 396.399 3.240 5 40 GGBB CCc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1 408565255 JEQLMJIVSWBLNC-GPQLQYNLSA-N 377.444 3.304 5 40 GGBB COc1cc(NC(=O)c2cccc(-n3cc([N+](=O)[O-])cn3)c2)cc(OC)c1OC 44831461 CIVAVNIOUNHXHL-UHFFFAOYSA-N 398.375 3.059 5 40 GGBB COc1ccc(C2(CNC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 16856902 FOOUJTBKURPOQO-NYYWCZLTSA-N 396.443 3.481 5 40 GGBB Cc1c(C(=O)NC[C@H]2CCCO2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931111 VBHNDRFBEAAJAN-CQSZACIVSA-N 386.433 3.188 5 40 GGBB CN(C)C(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12527478 YBAWIHXBMZRUOH-UHFFFAOYSA-N 399.450 3.495 5 40 GGBB Cc1csc([C@@](O)(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C(F)(F)F)n1 65590749 MUHOAIGRQWHGPY-AWEZNQCLSA-N 389.355 3.447 5 40 GGBB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1 5129092 RNTVDTROYPUVFP-SOFGYWHQSA-N 395.165 3.145 5 40 GGBB CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CCCCC1 78904399 KOVPYUWDSKJSJT-GOSISDBHSA-N 376.457 3.474 5 40 GGBB CCN(CC)CCn1c(NC(=O)Cc2ccccc2[N+](=O)[O-])nc2ccccc21 11554955 HRFUKGGDBJDWSA-UHFFFAOYSA-N 395.463 3.468 5 40 GGBB CCOC(=O)COn1c(-c2cccc(Cl)c2)nc2ccc([N+](=O)[O-])cc21 4002463 ZOVIEMUEWMIIPN-UHFFFAOYSA-N 375.768 3.257 5 40 GGBB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1 408628686 VYGNSJWQEOPRIJ-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB COc1cccc(-c2noc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c1 217874202 SMXZJZNOJDQCDL-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)CCn2ccnc2)c1 40157973 VWIUAJZSPOVYPJ-UHFFFAOYSA-N 393.403 3.381 5 40 GGBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(NS(C)(=O)=O)cc1 32926606 MNBVGYTUEIVCEA-SNVBAGLBSA-N 397.840 3.111 5 40 GGBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)[nH]2)c1 7610244 RAOWEGVJULGVCU-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB Cc1sc2nc3c4ccccc4c(NCCCN(C)C)nn3c(=O)c2c1C 1802724 WFIFNWRTUCZOSC-UHFFFAOYSA-N 381.505 3.438 5 40 GGBB O=C(O)CCCCCNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12 2117521 YASMEHXHVUZZSO-UHFFFAOYSA-N 383.400 3.086 5 40 GGBB biogenic Cc1cc(C)n(CCC(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 11593255 FDCOHYWYKTURQF-LBPRGKRZSA-N 394.815 3.022 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] 12887567 RFBYXDFPBIKQBF-HUUCEWRRSA-N 397.431 3.405 5 40 GGBB Cc1c(Cl)cc(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)cc1[N+](=O)[O-] 95441211 PPTASFTYADDRHD-UHFFFAOYSA-N 384.763 3.440 5 40 GGBB CC(C)[C@H](C)NC(=O)COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8121561 RMDJYRDIHIWTBF-AWEZNQCLSA-N 385.420 3.387 5 40 GGBB Cc1c(Cl)cccc1NC(=O)CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 8203877 XMLWQTXFBRAGMC-UHFFFAOYSA-N 397.840 3.011 5 40 GGBB O=C1CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc2N1 12526638 PNIAPDIXXNSRBX-UHFFFAOYSA-N 383.407 3.140 5 40 GGBB CCOc1ccccc1[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408564900 GGAROIMYLXVQCD-ZJDLJICXSA-N 393.443 3.140 5 40 GGBB Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C1=O 5324500 JZKZZBZSWQUMNW-HXUWFJFHSA-N 379.372 3.038 5 40 GGBB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 8408506 YYVLOPXQIDDQEU-CYBMUJFWSA-N 385.372 3.411 5 40 GGBB Cc1cccc(C)c1OCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 8510656 BZWLPLSXGJGFLV-HXUWFJFHSA-N 383.404 3.058 5 40 GGBB Cc1sc2ncn(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(=O)c2c1C 22985218 HBHISLLKTXWMKJ-UHFFFAOYSA-N 392.824 3.275 5 40 GGBB CC(=O)OCCCc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 97165051 CPGDYXQASRBANZ-UHFFFAOYSA-N 396.396 3.030 5 40 GGBB C[C@@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@H]1C[C@@H]2CC[C@@H]1C2 101648282 HJRAEQKPMOWDLT-KLHDSHLOSA-N 384.436 3.382 5 40 GGBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222950464 SOJUWDUOJIWJST-KRWDZBQOSA-N 397.475 3.471 5 40 GGBB CCOc1ccc(S(=O)(=O)N(CC)c2cc([N+](=O)[O-])ccc2OC)cc1 224599390 NGQDYVALQHYXIF-UHFFFAOYSA-N 380.422 3.217 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)c2c(n1)CCCC2 408582045 LJDBYQOTEQKBSZ-UHFFFAOYSA-N 388.449 3.311 5 40 GGBB COC(=O)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 7128134 CVNXKYOOSQMDSW-UHFFFAOYSA-N 398.293 3.418 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NCCc1c[nH]c2ccccc12 16695033 OICYYRJLNSLGTB-OAHLLOKOSA-N 380.448 3.428 5 40 GGBB CCOC(=O)c1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 408732801 ZGJUIZAKUAZEBE-YBEGLDIGSA-N 380.356 3.424 5 40 GGBB CC(C)(C)OC(=O)NCCCC[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O 8076207 HOKFYJVBDQVJGZ-LBPRGKRZSA-N 399.469 3.340 5 40 GGBB in-vitro Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c1C 102874029 QBZKHGOTLDCKQU-ZIAGYGMSSA-N 388.420 3.089 5 40 GGBB COCCn1c(-c2ccc(C)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2330933 MMRNDRXTMGTVNE-UHFFFAOYSA-N 392.411 3.133 5 40 GGBB O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1 4219288 AQGSFZCAWJINBF-UHFFFAOYSA-N 378.450 3.237 5 40 GGBB CC(C)CNC(=O)COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4893439 BHNQVRKOWAWNBY-UHFFFAOYSA-N 385.420 3.136 5 40 GGBB CCc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408565258 JEQLMJIVSWBLNC-IIZPIQPGSA-N 377.444 3.304 5 40 GGBB Cc1ccccc1CSCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 409028657 PNXXPZFWKDMLKL-UHFFFAOYSA-N 375.406 3.475 5 40 GGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 214671291 SPBDINLNFHANPY-XNTDXEJSSA-N 383.385 3.270 5 40 GGBB Cc1cc(NC(=O)CCNc2ccccc2[N+](=O)[O-])ccc1N1CCN(C)CC1 12522438 WZTCYOIZSGIQSY-UHFFFAOYSA-N 397.479 3.096 5 40 GGBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 3260135 QCLVVEIZBHHQAA-YFTXEMMHSA-N 397.387 3.137 5 40 GGBB Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccccc1OC(F)(F)F 48375209 GLHFIGKXRQCSTC-UHFFFAOYSA-N 386.330 3.047 5 40 GGBB O=[N+]([O-])c1ccccc1-c1nnc(CSc2nc(-c3ccccc3O)n[nH]2)o1 8435628 GETWUINWRHQGJD-UHFFFAOYSA-N 396.388 3.428 5 40 GGBB O=c1[nH]c(/C=C\c2ccccc2OCc2ccccc2F)nc(O)c1[N+](=O)[O-] 102653313 NPDYLQSCSXZYMW-KTKRTIGZSA-N 383.335 3.272 5 40 GGBB Cc1c([C@H](C)N2CCN(c3ccc(CN(C)C)cn3)CC2)cccc1[N+](=O)[O-] 97165313 VOESXDMJAOVBNY-KRWDZBQOSA-N 383.496 3.243 5 40 GGBB Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 3514408 CVAZUVHHQGTVGY-UHFFFAOYSA-N 393.739 3.260 5 40 GGBB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 7472782 SMYKYGIATSFZQC-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 8361440 VABNUTLWDQVOJS-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB Cc1cc(OC[C@H](O)CN(C)C(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl 4700572 OJTHEMUMTHUFEM-CQSZACIVSA-N 392.839 3.377 5 40 GGBB COc1ccc(/C=C2/C(=O)N[C@@H]3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1 31853095 ALPCFHJYBJDHMV-QHVUTBCBSA-N 381.413 3.405 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1 6611404 XCLQLHCZRPEYJI-HUUCEWRRSA-N 391.468 3.102 5 40 GGBB O=C(NCc1cn2cc(Cl)ccc2n1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 32902289 XNZOQXWBCDGFFG-UHFFFAOYSA-N 385.811 3.400 5 40 GGBB O=C(NCCc1nc2ccccc2[nH]1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7674696 ZNPQZQVTRLKSIL-UHFFFAOYSA-N 393.447 3.434 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408737223 MMZXHMYISROHGW-KRWDZBQOSA-N 397.387 3.170 5 40 GGBB COCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974313 DZIPDRUYSXWEHP-UHFFFAOYSA-N 383.411 3.256 5 40 GGBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(CN2CCCC2=O)c1 29286265 MULGQNOWOMCRLQ-UHFFFAOYSA-N 385.445 3.448 5 40 GGBB Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)cc1[N+](=O)[O-] 408583439 UQLIJGPFGMPCHS-UHFFFAOYSA-N 399.432 3.331 5 40 GGBB COc1cccc(C(=O)N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c1 42110481 LLXYQGNFPLMUIN-UHFFFAOYSA-N 392.415 3.114 5 40 GGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 5842469 IXFJUNFQVWHXFH-UHFFFAOYSA-N 386.433 3.316 5 40 GGBB O=[N+]([O-])c1ccc(NCCO)c(NCc2cc(Cl)cc3c2OCOC3)c1 32819356 AWNUUAAGCNPLMI-UHFFFAOYSA-N 379.800 3.131 5 40 GGBB Cc1nn(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(=S)s1 12553209 SSJYVXCGYKYSBR-UHFFFAOYSA-N 385.902 3.324 5 40 GGBB CCOc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 3234611 DXNCKDVNAHCRCA-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)c1 2796231 KPDGQMSZWWVLHC-UHFFFAOYSA-N 394.387 3.187 5 40 GGBB O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)c1c(ccc3ccccc13)N2 4627862 IFZAWEKZSNHMTF-MRXNPFEDSA-N 386.367 3.362 5 40 GGBB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc([N+](=O)[O-])c1O 260766042 ITPZVXAEJWRNAU-UHNFBRDESA-N 386.433 3.293 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC(CN3CCCCC3)CC2)c1C 58010675 PMNPWYNZLKHQJC-UHFFFAOYSA-N 395.525 3.098 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccc([N+](=O)[O-])c2)c1C 5673930 KMOACSBVYIUFDG-LBPRGKRZSA-N 388.376 3.145 5 40 GGBB COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)c1 5031326 WVFGYLDBVBEBIH-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB CN(Cc1ccco1)C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5449702 CDYHHSBHUXGTKU-UHFFFAOYSA-N 384.344 3.263 5 40 GGBB COc1ccc(OC)c(Nc2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])c1 5489830 YZLCGDFOIQMDQH-UHFFFAOYSA-N 396.407 3.496 5 40 GGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@@H](O)c1ccccc1 6658768 KODBWLVFBJASAK-HXUWFJFHSA-N 389.407 3.175 5 40 GGBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 8279583 MFLKEVOXRWATRV-LBPRGKRZSA-N 398.444 3.154 5 40 GGBB Cc1cc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)ccc1[N+](=O)[O-] 8752098 LWDPMSGTJXUKKN-UHFFFAOYSA-N 381.310 3.448 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c([N+](=O)[O-])c1 13137132 OVTCBDOOZVQBDH-UHFFFAOYSA-N 382.405 3.158 5 40 GGBB O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1O 20142792 LPFSCEPERFNKFI-UHFFFAOYSA-N 385.376 3.241 5 40 GGBB CCOC(=O)c1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 20496077 SLMLYCMTEFBYIL-UHFFFAOYSA-N 382.332 3.074 5 40 GGBB Cc1c(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-] 22524847 LBKUBRZXTXGNKH-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB COc1ccc(-c2nsc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1OC 27793631 AAIHAYVTOIZAAX-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 56345614 FTUIHPXAHVMEOK-GOSISDBHSA-N 382.420 3.470 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)NCC(C)C 408581698 AETNSKCSRWVPQC-UHFFFAOYSA-N 391.449 3.090 5 40 GGBB Cc1ccccc1OCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12527915 HVTSBJYWYYLUMW-UHFFFAOYSA-N 383.448 3.411 5 40 GGBB COC(=O)c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc([N+](=O)[O-])c1 3280054 TWMYTYAHMKTEFQ-UHFFFAOYSA-N 380.360 3.128 5 40 GGBB COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCC2 1904939 PFIVPVDPCMFHPH-UHFFFAOYSA-N 391.361 3.092 5 40 GGBB Cc1cccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)c1 22257221 MSXYHHTYARIODI-UHFFFAOYSA-N 396.403 3.299 5 40 GGBB COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC 3361579 VUAXOKDUECMXBV-UHFFFAOYSA-N 384.344 3.133 5 40 GGBB O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1ccc([N+](=O)[O-])o1 14138008 YLUPBVLKLUQUOK-UHFFFAOYSA-N 395.371 3.249 5 40 GGBB COC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)cc([N+](=O)[O-])c1 7073932 UAFLPBGZWXYFFG-JTQLQIEISA-N 376.340 3.020 5 40 GGBB Nn1cc(-c2ccccc2)nc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 8757237 VOORSMGANROQDT-UHFFFAOYSA-N 384.417 3.331 5 40 GGBB O=[N+]([O-])c1ccccc1N1CCN(Cc2cc(Cl)cc3c2OCOC3)CC1 12552923 APCJCDURFNYYMT-UHFFFAOYSA-N 389.839 3.437 5 40 GGBB Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O 14169131 FNNKMIACEAENQY-UHFFFAOYSA-N 380.404 3.375 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2ccccc2Cl)c1=O 5269940 XROWSPAFRZPPDX-UHFFFAOYSA-N 390.808 3.167 5 40 GGBB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5754298 XNRPWKHNRIPQMJ-UHFFFAOYSA-N 384.266 3.115 5 40 GGBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)cc3n2)cc1 26124690 DETGDENIDFBYTD-UHFFFAOYSA-N 393.359 3.491 5 40 GGBB O=C(Nc1cccnc1N1CCCC1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 40142225 SZWXADGNONUKIL-UHFFFAOYSA-N 378.392 3.028 5 40 GGBB O=C(/C=C/c1cccc2ccccc12)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 59368845 ZATJOGCPADRTMV-JLHYYAGUSA-N 396.424 3.407 5 40 GGBB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224781304 YXRSPBZQXHWWMI-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=C(CS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 1455648 ROBALCAGWUCPIO-UHFFFAOYSA-N 388.323 3.026 5 40 GGBB Cc1cc(I)cnc1NC(=O)c1cccc([N+](=O)[O-])c1 6572495 SSRJCOHGSBUNPJ-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 57674815 SUSIVRBGCIWNQM-OAHLLOKOSA-N 386.427 3.192 5 40 GGBB CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 3416234 MXXKVHKZFZDYNS-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1OC)O[C@H](C)C2 12975294 OQVKGULSOQUHSD-GFCCVEGCSA-N 386.404 3.256 5 40 GGBB C[C@H]1Cc2ccccc2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 36697985 WPGBGFFIDFUVLO-ZDUSSCGKSA-N 381.388 3.261 5 40 GGBB COc1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1OC 45416712 JBWPQCQUFVXCGW-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB C[C@@]1(c2ccccc2Br)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 225343909 VUOFMAHLSUUORM-OAHLLOKOSA-N 393.266 3.429 5 40 GGBB O=C(Nc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 31731792 HNVHVCJOWCWSFI-UHFFFAOYSA-N 377.404 3.497 5 40 GGBB O=[N+]([O-])c1cccc(/C=C/c2cc(N(CCO)CCO)c3ccccc3n2)c1 6583767 XBPNNBYGQDDUDF-CMDGGOBGSA-N 379.416 3.104 5 40 GGBB CCN(CC)c1ccc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 6152620 YNHKZWPPHIQDKS-UHFFFAOYSA-N 384.436 3.200 5 40 GGBB C[N+]1(C[C@H](COCc2ccccc2)OC(=O)CCc2ccccc2)CCOCC1 4836922 DAXMHIAIDOJWKT-HSZRJFAPSA-N 398.523 3.225 5 40 GGBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSCc2ccccc2F)c1 30867095 FJAXLVRBEHUQOF-UHFFFAOYSA-N 384.454 3.087 5 40 GGBB C[C@@](CO)(NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 1631163738 PIJPSYNAWQXCMS-AWEZNQCLSA-N 385.239 3.056 5 40 GGBB Cc1ccc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)cc1[N+](=O)[O-] 4377288 ADBWXKRHRFJRHX-UHFFFAOYSA-N 399.384 3.158 5 40 GGBB O=C(c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O)N1CCCc2ccccc21 5270817 DVXYUWSMMQXKKA-UHFFFAOYSA-N 389.411 3.398 5 40 GGBB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 7256861 VWBAPDAKNGIXMT-FQEVSTJZSA-N 394.431 3.087 5 40 GGBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1C(F)(F)F 13102078 POKAYFJEJYELOU-UHFFFAOYSA-N 395.750 3.126 5 40 GGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cccc2ccccc12 20154251 WMNJKUIJQWQSTC-UHFFFAOYSA-N 376.416 3.410 5 40 GGBB CCN1CCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 32915633 PXYAXMNEYSJIKC-UHFFFAOYSA-N 382.464 3.293 5 40 GGBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1ccccc1 59417121 ODCQYAKVAKEOAD-UHFFFAOYSA-N 384.310 3.188 5 40 GGBB COc1cc(OCC(=O)NCCSCc2ccccc2F)ccc1[N+](=O)[O-] 66017368 SZFWKZQAACIWLD-UHFFFAOYSA-N 394.424 3.171 5 40 GGBB Cc1c(C(=O)Nc2ccc(I)cn2)cccc1[N+](=O)[O-] 103247977 DNHZZLPSGVKMKW-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB C[C@@H]1CCC[C@H]2C1=NN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@]2(O)C(F)(F)F 409182969 PUGVFGUSJJPJMY-AKWBHNSASA-N 385.342 3.023 5 40 GGBB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 6386305 SSVWPSOZLOVNQF-UHFFFAOYSA-N 386.433 3.379 5 40 GGBB CC(C)Oc1ccc(CCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 10543367 JXSZPMMCXIVKBL-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB CCc1ccc(Nc2ccc(S(=O)(=O)N[C@@H](C)COC)cc2[N+](=O)[O-])cc1 9596539 RQNVPRRUYNYVRC-ZDUSSCGKSA-N 393.465 3.214 5 40 GGBB CC[C@H]1c2ccsc2CCN1C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 14199058 DRVFPLPGDJJNRW-ZDUSSCGKSA-N 387.417 3.100 5 40 GGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 6638562 FHTFOSIFQLXYNN-MOTZXUDYSA-N 394.475 3.253 5 40 GGBB O=C1N(c2ccccc2)N=C(O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]12 8971862 LMJHUJBYIRFMLE-YLJYHZDGSA-N 378.388 3.024 5 40 GGBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225455016 FPQXOYISXZTDJW-MRXNPFEDSA-N 383.448 3.079 5 40 GGBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 1439785 ISHFCEBZWJUYLA-QGZVFWFLSA-N 378.344 3.099 5 40 GGBB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1Cl 5075529 VGJIDAIOUPXZDO-UHFFFAOYSA-N 395.824 3.040 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c1C 4329118 FPYMEWAIIHFNSK-UHFFFAOYSA-N 387.392 3.155 5 40 GGBB COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c([N+](=O)[O-])cc1OC 5099224 SULHFAUJXLBNPB-UHFFFAOYSA-N 399.403 3.163 5 40 GGBB CCOC(=O)N1CCN(C(=O)Nc2cc3ccncc3c3ncccc23)CC1 6843680 YZGNYXLFSBQOJD-UHFFFAOYSA-N 379.420 3.089 5 40 GGBB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 12536506 ATBXUITZYKTQTG-UHFFFAOYSA-N 389.839 3.357 5 40 GGBB Cc1cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 12652528 XAXCDRWBSKIFSV-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCSCc1ccccc1F 13675277 WGKVTUZRPSRQLS-UHFFFAOYSA-N 384.454 3.254 5 40 GGBB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 13947383 GFJXYDSSTKMONT-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB CC(C)(C)c1ccccc1OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 223691163 CPVSKDCJMXDUGK-UHFFFAOYSA-N 378.450 3.250 5 40 GGBB COc1ccc([C@@H](OC)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 95983641 NSHPHDPPDLSCNY-YJYMSZOUSA-N 387.436 3.175 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1 3544158 SIRNCEAQZSEFJV-LBPRGKRZSA-N 399.432 3.303 5 40 GGBB O=[N+]([O-])c1cccc(-n2nnnc2CN2CCC(Cc3ccccc3)CC2)c1 4907301 USKWSHTUUBYTLX-UHFFFAOYSA-N 378.436 3.025 5 40 GGBB O=[N+]([O-])c1ccc(Nc2nc3nonc3nc2Nc2ccc([N+](=O)[O-])cc2)cc1 6444954 OJFIVYGJCZXLNE-UHFFFAOYSA-N 394.307 3.316 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c1 24542710 HLLFPSOIMKMSJY-MRXNPFEDSA-N 398.415 3.417 5 40 GGBB CC(C)[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 5405622 ZCBLMBUZCIUGJQ-HXUWFJFHSA-N 386.404 3.258 5 40 GGBB CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2c(OC)ccc(OC)c21 100908641 QSTVTRUKUSTOLT-HNENSFHCSA-N 387.417 3.389 5 40 GGBB Cc1ccc(-c2nc(N3CCOCC3)s[n+]2Cc2ccc([N+](=O)[O-])cc2)cc1 6054265 FMPKQEAYIVSDRG-UHFFFAOYSA-N 397.480 3.199 5 40 GGBB COc1ccc(C[C@H]2CCCN2CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 48287967 UGANMCUCLAPESX-LJQANCHMSA-N 383.448 3.273 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nn(-c3ccccc3)nc2c1 26124019 JAKJFIZKZDWYON-UHFFFAOYSA-N 389.371 3.346 5 40 GGBB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 12754523 IGVCAMGWANOCQO-SFHVURJKSA-N 385.395 3.078 5 40 GGBB Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cccc([N+](=O)[O-])c1 409124128 GWMGSFFRLOCSLE-UHFFFAOYSA-N 387.396 3.260 5 40 GGBB COc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCCC3)cc1 2974596 QFHBAOZDWCEKCZ-OAQYLSRUSA-N 382.440 3.254 5 40 GGBB Cc1sc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 31009688 VCASSHQYEBAZDT-VHSXEESVSA-N 394.371 3.359 5 40 GGBB Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1F 2796313 NLOIKYGVDPYGCW-UHFFFAOYSA-N 399.338 3.448 5 40 GGBB COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 5260058 ZQKQTJSZCULZEU-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB O=c1n(CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)nc2n1CCCC2 95997096 IJXNZRAFMUIIOG-UHFFFAOYSA-N 386.239 3.098 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1[N+](=O)[O-] 100548639 BTONQSNPEKTPPY-KRWDZBQOSA-N 383.429 3.088 5 40 GGBB N=C1NC(=O)/C(=C\c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])S1 59514605 MQZDCGNLFSBVAC-VGOFMYFVSA-N 386.345 3.434 5 40 GGBB COc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 59133494 IPVVJVMOWKOCJB-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB C[C@]12C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)N1CCc1c2[nH]c2ccccc12 4073579 WFGMSBVXMGZQPD-FQEVSTJZSA-N 376.372 3.316 5 40 GGBB biogenic CC1(C)CC(=O)CC(C)(C)N1C(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 9516460 BWMOOCGASHPVAH-UHFFFAOYSA-N 396.827 3.154 5 40 GGBB CCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 40717806 VVDFOYJLKPJPNW-UHFFFAOYSA-N 396.447 3.214 5 40 GGBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 225090954 LUWDAIJTEBONFY-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB CCOc1ccc([C@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534580 YAWNGOGXDSCORE-IBGZPJMESA-N 397.435 3.149 5 40 GGBB O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 4120661 UAHFQJGBYDEFRZ-UHFFFAOYSA-N 385.401 3.069 5 40 GGBB Cc1cc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 3506605 SAGDJPQAKRENSC-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(NC(=O)C2CC2)cc1 24649835 BQGNVCZIWHFWJJ-UHFFFAOYSA-N 398.371 3.167 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 7928260 JMOPZELITIJYMT-NSHDSACASA-N 389.795 3.248 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 8416529 FOGIPFKKXWDPSP-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(F)c(F)c2)cc1[N+](=O)[O-] 13135490 YZOIZUMQBHAWSY-UHFFFAOYSA-N 391.359 3.405 5 40 GGBB CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccc([N+](=O)[O-])cc1 9699039 LSUWKGDJQGNFSF-UHFFFAOYSA-N 387.421 3.022 5 40 GGBB CN(Cc1ccccc1Br)C(=O)COc1ccc([N+](=O)[O-])cc1 9882286 LVPNEZVCCUKZRI-UHFFFAOYSA-N 379.210 3.395 5 40 GGBB COc1ccccc1[C@@H]1SCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5662188 XNRNVQMYETUDGI-KRWDZBQOSA-N 389.389 3.399 5 40 GGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1)S(C)(=O)=O 13711543 IZMSKCYECJGSEG-KRWDZBQOSA-N 391.449 3.087 5 40 GGBB O=C(Nc1ccc(O)cc1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 97229682 ILPCAZJQVOQFNG-UHFFFAOYSA-N 377.347 3.434 5 40 GGBB COC(=O)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 7128831 HBLLEADIFFMXIH-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB O=C(CCC(=O)c1ccc(F)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 5654808 VWPDCIOLBGMYJP-UHFFFAOYSA-N 399.334 3.490 5 40 GGBB Cc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 216927327 AWGCNXQDDKTUDK-UHFFFAOYSA-N 383.448 3.306 5 40 GGBB CCCCc1ccc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3598691 VSORWSXVVGSQHI-UHFFFAOYSA-N 381.388 3.172 5 40 GGBB C[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 8401348 WVTXMIZOTYKBNM-SECBINFHSA-N 375.328 3.456 5 40 GGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)ccc1[N+](=O)[O-] 3329905 GWPDKIQGDUINEB-UHFFFAOYSA-N 394.723 3.380 5 40 GGBB Nc1nc2oc3ccc(Cl)cc3c(=O)c2cc1-c1nc2ccccc2c(=O)[nH]1 94986180 CYEYYEVJJWXDCO-UHFFFAOYSA-N 390.786 3.480 5 40 GGBB O=c1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2s1 5508706 NHFFSXJERNBGDO-UHFFFAOYSA-N 386.794 3.217 5 40 GGBB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13988380 JCAWPMHPDZNVEB-QEORTHHSSA-N 388.420 3.195 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCc3ccccc3C2)C1 1457822 GAQXBXLUKRCUHM-IBGZPJMESA-N 393.443 3.032 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1cccc(Cl)c1 9445161 XDBWECLPAYHVQW-UHFFFAOYSA-N 378.768 3.117 5 40 GGBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 12798629 GAIQXXUNHGMWMN-SNVBAGLBSA-N 382.825 3.143 5 40 GGBB COCCCn1c(-c2ccccc2C)nc2c(c(=O)c3ccccc3n2C)c1=O 2358853 QMYKZBRIEPVLHK-UHFFFAOYSA-N 389.455 3.260 5 40 GGBB Cc1c2cnn(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(=O)c2c(C)n1C 12883954 CUIUSJGCRCFCPH-UHFFFAOYSA-N 389.843 3.003 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)NCCc2c[nH]c3ccccc23)ccc1Cl 5776853 LRWMJBZYKUZIPO-UHFFFAOYSA-N 379.825 3.251 5 40 GGBB NC(=O)c1ccc(CN2CCc3cc(Br)cc(F)c32)c([N+](=O)[O-])c1 84340883 ZVGDCRCNVMVZNO-UHFFFAOYSA-N 394.200 3.158 5 40 GGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 4262978 XNGTXRXQAHSXHH-GOSISDBHSA-N 396.403 3.260 5 40 GGBB CCC[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 101041443 ZKKIRCDRNCNLIV-SQNIBIBYSA-N 381.388 3.073 5 40 GGBB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 23503671 PFIYIJXEXRATPE-GFCCVEGCSA-N 391.374 3.213 5 40 GGBB CS(=O)(=O)c1ccc(N[C@H](c2ccccc2)[C@@H]2CCCO2)cc1[N+](=O)[O-] 58297919 JOQSHOZJVXBIJK-FUHWJXTLSA-N 376.434 3.331 5 40 GGBB COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 2796772 BEFFGFWHGZXFPW-UHFFFAOYSA-N 394.811 3.170 5 40 GGBB Cc1ccc(C(=O)NCc2nnc(S)n2-c2ccc([N+](=O)[O-])cc2)cc1C 8954644 WUSYOSCJEFIIPJ-UHFFFAOYSA-N 383.433 3.011 5 40 GGBB O=c1c2ccccc2c(=O)c2sc3c(=O)c4ccccc4c(=O)c3sc12 626166 HQSADPBKAVDUAS-UHFFFAOYSA-N 376.414 3.301 5 40 GGBB O=C(OCCCn1c(=O)oc2ccccc21)c1cc([N+](=O)[O-])ccc1Cl 58192755 RDXLDNSGGZUHKK-UHFFFAOYSA-N 376.752 3.403 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCOc2ccc(Cl)cc2)cc1 10517867 WOAGBZQASOFJHN-UHFFFAOYSA-N 384.841 3.386 5 40 GGBB Cc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)c(F)c2F)ccc1[N+](=O)[O-] 3369387 HTXJWNRJPRUGHT-UHFFFAOYSA-N 381.310 3.031 5 40 GGBB O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(Cc2ccc(F)cc2Cl)CC1 31784820 DLTHLZYWAMWQLZ-UHFFFAOYSA-N 393.802 3.051 5 40 GGBB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 7363382 IUTLPORQLSFXJD-ZDUSSCGKSA-N 391.449 3.232 5 40 GGBB CN(C)[C@@H](CNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccco1 5200248 YMIUTQPPEVLMNB-SFHVURJKSA-N 386.452 3.211 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 38754811 LWQMLIKVVXCTPZ-UHFFFAOYSA-N 383.813 3.180 5 40 GGBB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1cccc([N+](=O)[O-])c1 408560475 CVGXEQVYADYERB-UHFFFAOYSA-N 379.372 3.464 5 40 GGBB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224706905 CXBDXRRSVSQYGU-KRWDZBQOSA-N 397.475 3.389 5 40 GGBB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 3325905 CSXKXTHPGATBKD-UHFFFAOYSA-N 390.779 3.393 5 40 GGBB C[C@H]1CN(Cc2ccc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc2)C[C@@H](C)O1 40082229 QPMAWVMMZXUPIE-IYBDPMFKSA-N 395.459 3.407 5 40 GGBB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 21509861 MCNSPQOMXQVDHS-LBPRGKRZSA-N 398.350 3.104 5 40 GGBB C[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3435429 RWEFYTMTWPPCRV-GFCCVEGCSA-N 388.351 3.267 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 7928259 JMOPZELITIJYMT-LLVKDONJSA-N 389.795 3.248 5 40 GGBB O=c1[nH]c(/C=C/c2cccc(OCCOc3ccccc3)c2)nc(O)c1[N+](=O)[O-] 9234913 AYNFGLBDLZVXDF-MDZDMXLPSA-N 395.371 3.012 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F 3270438 KUBHBCHNIJWZKJ-SECBINFHSA-N 380.303 3.066 5 40 GGBB COCCn1c(-c2ccc(Cl)cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 2324173 BIZQSNSUYYHFST-UHFFFAOYSA-N 395.846 3.215 5 40 GGBB Cc1cc(C)n2nc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])nc2n1 4523455 QEMMYWSVCDODKP-UHFFFAOYSA-N 392.828 3.034 5 40 GGBB COc1cc(OCC(=O)NCCSCc2cccc(C)c2)ccc1[N+](=O)[O-] 219821497 LDKOJVRTISRXRI-UHFFFAOYSA-N 390.461 3.340 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(CN3CCC(OCc4ccccc4)CC3)n2)cc1 40091154 KOBCSKITQWIDEQ-UHFFFAOYSA-N 393.447 3.492 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(Cl)c1 12539540 MDCPXLSIQVVJSQ-UHFFFAOYSA-N 395.868 3.068 5 40 GGBB COc1cc(OCC(=O)NCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] 66018137 FMBKNQLXJLILHX-UHFFFAOYSA-N 396.399 3.331 5 40 GGBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 225013340 XVKMESHLPZHAQM-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB CCc1c(C)sc2ncn3nc(CCn4nc(C)c([N+](=O)[O-])c4C)nc3c12 2808960 FFMKKACACNRGRG-UHFFFAOYSA-N 385.453 3.174 5 40 GGBB Cc1cc([C@@H]2CCCN2C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)on1 47287799 YWICENPFVIZZHU-SFHVURJKSA-N 384.436 3.471 5 40 GGBB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 12906187 MGLHFBYIEYMROF-RTGRKSDTSA-N 379.416 3.485 5 40 GGBB Cc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1[N+](=O)[O-] 20528985 BQHCYPCJBGWFSE-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6046360 RXFNTIKYRGGMRM-GOSISDBHSA-N 380.404 3.424 5 40 GGBB O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 48200954 NKTOAMYTPBKRKF-INIZCTEOSA-N 393.237 3.140 5 40 GGBB Cc1c(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cccc1[N+](=O)[O-] 222515854 UOBDLZDUSAQFIS-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N=c1[nH]c2ccccc2[nH]1 5264983 ANUNUBGXVKTVOV-VIFPVBQESA-N 393.325 3.351 5 40 GGBB O=C(COc1ccc(Br)cc1)OCCOc1ccc([N+](=O)[O-])cc1 4070102 LYAJOQWIUAAYLT-UHFFFAOYSA-N 396.193 3.358 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1ccc(Br)cc1F 7005821 RTPOQUHLBBBJGO-UHFFFAOYSA-N 378.157 3.255 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)[nH]1 7472636 FFQXTFIKZIENQH-UHFFFAOYSA-N 385.405 3.119 5 40 GGBB CCN(Cc1ccc(OC)c(OC)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] 12522943 QKCCUYPMOJLSKR-UHFFFAOYSA-N 387.436 3.463 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-] 8560801 PGXPPCVYRZPBJZ-UHFFFAOYSA-N 381.728 3.183 5 40 GGBB CCOC(=O)c1ccn(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)n1 31791523 XGGPPEXKFCAUHU-UHFFFAOYSA-N 380.360 3.210 5 40 GGBB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 36397784 LCNAKEICFYAONP-JWAFFJSPSA-N 388.445 3.231 5 40 GGBB C[C@@H]1CCC[C@H](n2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)[C@@H]1C 40399050 GMBJHBDZXWAQAP-LPMFXHHGSA-N 389.459 3.421 5 40 GGBB CCC(=O)Oc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1OC 13925605 QCFHOESISKORMH-GDNBJRDFSA-N 396.355 3.263 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1 5626480 MUPSBGPNEOVNKZ-UHFFFAOYSA-N 392.415 3.416 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1 4358201 RDVLOTSAOULYCK-MRXNPFEDSA-N 379.294 3.204 5 40 GGBB CC1(C)c2ccccc2N(CCC(N)=O)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 1054032 YINHZQFZNPQVBA-OAQYLSRUSA-N 379.416 3.370 5 40 GGBB COc1ccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 7759345 GBHMCHXGDBINBA-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB COc1cc(OCC(=O)NCCCc2ccccc2Cl)ccc1[N+](=O)[O-] 107188062 KUXXHRUAMCNRPH-UHFFFAOYSA-N 378.812 3.385 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@@H](CN1CCCC1=O)c1ccccc1 48278820 LGOVJEFEDYVEPV-KRWDZBQOSA-N 386.383 3.219 5 40 GGBB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2[N+](=O)[O-])c(OC)c1 11549003 FJEPIQHNOZXNOP-INIZCTEOSA-N 386.404 3.355 5 40 GGBB CCCCN(C(=O)[C@H]1C[C@H]1[N+](=O)[O-])c1cccc(I)c1 84744415 VSLABSPYEUKNPL-QWHCGFSZSA-N 388.205 3.090 5 40 GGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 408627825 OBZJURGEUPYAGX-UHFFFAOYSA-N 375.406 3.129 5 40 GGBB Cc1cccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)c1 95470809 NGJSPSYWFQHURT-UHFFFAOYSA-N 391.383 3.261 5 40 GGBB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-])CC2 5348388 QMJMWAUOZYKWCB-UHFFFAOYSA-N 399.447 3.226 5 40 GGBB COc1cc(C(C)=O)ccc1OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 16810867 QOLPXBSDJUMYMO-UHFFFAOYSA-N 384.388 3.164 5 40 GGBB Cc1cccc(N2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c1C 57438565 UHCNQRWYEHOPIA-UHFFFAOYSA-N 383.448 3.400 5 40 GGBB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccccc1[N+](=O)[O-] 6889539 ABEUODIXVVFUQL-UHFFFAOYSA-N 384.266 3.289 5 40 GGBB CCOC(=O)c1cc(C(=O)OCC(=O)c2cc(C)ccc2C)cc([N+](=O)[O-])c1 7982847 AJTLSFYMWZXSBF-UHFFFAOYSA-N 385.372 3.428 5 40 GGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051951 RZHOBVKNSIXIRA-UHFFFAOYSA-N 388.445 3.492 5 40 GGBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 12526664 NYPTYDRWOBSLEI-UHFFFAOYSA-N 392.415 3.114 5 40 GGBB O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc([N+](=O)[O-])cc1 32930179 WNJNOGMIYSVHML-UHFFFAOYSA-N 394.353 3.407 5 40 GGBB CC(=O)Oc1c(C)cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1C 647209 PDZRDRBPIBDORT-MFOYZWKCSA-N 380.356 3.481 5 40 GGBB O=C(C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)N1CCCCCC1 23853990 VSXGYMCNHGXPSH-UHFFFAOYSA-N 385.468 3.017 5 40 GGBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2404060 BUUDTUDKWXKGRK-ZIAGYGMSSA-N 377.448 3.444 5 40 GGBB Cc1ccc(C)c(OC2CCN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC2)c1 71845416 VWRSWYXXGYLTAD-UHFFFAOYSA-N 386.452 3.177 5 40 GGBB COc1ccc(CCNC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1OC 408725426 GFOVTCOVBVJGOE-UHFFFAOYSA-N 390.461 3.204 5 40 GGBB COc1cccc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)oc12 408569656 PFOOWGBLNYRNSU-UHFFFAOYSA-N 381.388 3.312 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCCOc2ccc(F)cc21 63597879 SXTDPYBDOQYTIQ-OAHLLOKOSA-N 378.331 3.282 5 40 GGBB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220399244 FILNIXJCYHSXLL-CQSZACIVSA-N 391.449 3.005 5 40 GGBB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@H](C)C3)cs2)cc1[N+](=O)[O-] 22297448 SBBDFUHSGWBYRN-BETUJISGSA-N 390.465 3.221 5 40 GGBB COc1cccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)c1 1085795 LTTUOMJNVNITHB-UHFFFAOYSA-N 398.444 3.176 5 40 GGBB COc1ccc2[nH]cc(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 36117027 UFIUQCAKWNJNEZ-UHFFFAOYSA-N 394.431 3.090 5 40 GGBB COc1ccc([C@@H]2CCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)c(OC)c1 11548969 URIKHZITGOZHEC-SFHVURJKSA-N 386.404 3.355 5 40 GGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2)C1 12939789 CVBJHGZKZXEVQL-INIZCTEOSA-N 396.447 3.192 5 40 GGBB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408563293 VDWABFFVTHTKJN-UHFFFAOYSA-N 392.437 3.269 5 40 GGBB COc1ccc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 55681918 OESOFWJQKJSPBO-KBPBESRZSA-N 385.420 3.469 5 40 GGBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 5634762 JXONASYHERVESR-LBPRGKRZSA-N 385.376 3.046 5 40 GGBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)n1cc(CO)c2ccccc21 226368173 UAZRYVXSFWPPRT-UHFFFAOYSA-N 375.178 3.493 5 40 GGBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cn1 23443692 ATQDOEYOUALFEN-UHFFFAOYSA-N 397.412 3.383 5 40 GGBB COc1cccc(C(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c1 4686326 UNBOMAOVRJMQDA-HNNXBMFYSA-N 378.768 3.203 5 40 GGBB Cc1ccc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 4941985 QHOOYVRGHYGQSZ-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1cccc([N+](=O)[O-])c1 12791404 QZJMCTRONJFSTE-UHFFFAOYSA-N 398.444 3.343 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] 100548637 BTONQSNPEKTPPY-QGZVFWFLSA-N 383.429 3.088 5 40 GGBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2429595 LAPKARJOEGTVKC-AWEZNQCLSA-N 377.448 3.192 5 40 GGBB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1ccc([N+](=O)[O-])cc1Cl 12900853 FICCXVCZBJSNCP-UHFFFAOYSA-N 375.690 3.067 5 40 GGBB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] 13004688 BSSZOXPDLTYTEG-HNNXBMFYSA-N 395.868 3.113 5 40 GGBB COc1ccc([C@@H]2CCCN2c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 15130073 MQSWJUWXIGEHFT-INIZCTEOSA-N 376.434 3.348 5 40 GGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ncc(-c3ccccc3)o2)C1=O 7389017 COEWUCYVBQEJCU-HXUWFJFHSA-N 392.371 3.217 5 40 GGBB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccccc1[N+](=O)[O-] 409163173 MWCMYJZKVTVMKE-UHFFFAOYSA-N 386.389 3.331 5 40 GGBB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(=O)c12 9316352 AEICHIYMTVHBEA-UHFFFAOYSA-N 389.371 3.183 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5753755 RHDKZPQBKNINBA-SFHVURJKSA-N 380.404 3.478 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc([N+](=O)[O-])cc1 937541 FWEOTRRZEWKOAQ-UHFFFAOYSA-N 398.400 3.043 5 40 GGBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2C)c1C 3288236 YHCDYMKXRFTGCD-UHFFFAOYSA-N 388.376 3.065 5 40 GGBB O=C1OC(c2ccc(N3CCCC3=O)cc2)=N/C1=C\c1ccccc1[N+](=O)[O-] 7925800 WQDPLEJXLJNGPN-VBKFSLOCSA-N 377.356 3.066 5 40 GGBB Cc1nn(Cc2ccccc2)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 17076922 ZJPYGBMYMCHHHM-UHFFFAOYSA-N 376.372 3.257 5 40 GGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 30480573 NNMHGTZMLCLHQZ-UHFFFAOYSA-N 399.325 3.044 5 40 GGBB Cc1nc2ccccc2c2c(NC(=O)[C@H](C)S(C)(=O)=O)c3ccccc3n12 79038389 HQVBLBKYCUBKTJ-LBPRGKRZSA-N 381.457 3.321 5 40 GGBB CCOc1ccc([C@@H](N)c2n[nH]c(Cc3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534581 YAWNGOGXDSCORE-LJQANCHMSA-N 397.435 3.149 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 15271275 XPSFXWPGZGDEFJ-UHFFFAOYSA-N 386.364 3.364 5 40 GGBB COc1ccc([C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C(C)C)cc1 57894988 JFOUDWYGXMZRSB-IBGZPJMESA-N 395.419 3.311 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 21595536 XAUHJEVKDMBTFE-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB COc1cc(OCC(=O)NCCSCc2ccccc2C)ccc1[N+](=O)[O-] 219821916 IGCBRXQWAOOJKQ-UHFFFAOYSA-N 390.461 3.340 5 40 GGBB COc1ccc(-c2nc3cc([N+](=O)[O-])cc(C(N)=O)c3o2)cc1Br 226237040 ZVJVVJNAJVQHRZ-UHFFFAOYSA-N 392.165 3.273 5 40 GGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 3262223 CMQPGTJBEJVDNE-UHFFFAOYSA-N 393.193 3.082 5 40 GGBB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5524665 YLRZWWHPSAQKQT-AEFFLSMTSA-N 396.403 3.260 5 40 GGBB C[C@@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 6900824 WQSYZTNCDDOSKK-UZNLNLPZSA-N 376.409 3.066 5 40 GGBB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccccc1 10738778 VBAONSCRGDQBKR-QGZVFWFLSA-N 397.431 3.229 5 40 GGBB Cc1ccc(-c2nc([C@@H]3COCCN3C(=O)OC(C)(C)C)no2)cc1[N+](=O)[O-] 95450942 VHOSXRBMTGZZQM-AWEZNQCLSA-N 390.396 3.262 5 40 GGBB COc1cc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] 219826212 ZYZJCKGNGBVYCK-HNNXBMFYSA-N 386.404 3.401 5 40 GGBB COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280197 RNOZTLYDXPLCLN-ZWKOTPCHSA-N 386.468 3.230 5 40 GGBB biogenic Cc1nc2ccccc2c2c(NC(=O)[C@@H]3CCS(=O)(=O)C3)c3ccccc3n12 12527434 CNDBEFORVFAKEJ-CQSZACIVSA-N 393.468 3.322 5 40 GGBB Cc1sc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(=O)c2c1C 24614188 AWMPYSIGVAYPMS-UHFFFAOYSA-N 390.446 3.240 5 40 GGBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409012716 RMHVDGNQTKWZFC-LQGZHCLWSA-N 384.797 3.236 5 40 GGBB C[C@@H]1CCC2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 245295980 HYTMHLQACCRLDO-HICWGWBUSA-N 385.342 3.023 5 40 GGBB CCc1ccc(OCCNc2cc(N3CCN[C@H](C)C3)ccc2[N+](=O)[O-])cc1 4180850 DUCMTCXRNAFIQO-MRXNPFEDSA-N 384.480 3.446 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 20238383 ZAZXSVUEZOSYIS-UHFFFAOYSA-N 385.489 3.172 5 40 GGBB O=C(N[C@H]1CCSc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCOCC1 7779166 CVHYXDAVEKKKHD-KRWDZBQOSA-N 399.472 3.398 5 40 GGBB COc1cc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 7977056 CYAWTJFLJLHIMM-UHFFFAOYSA-N 395.362 3.275 5 40 GGBB O=C(OCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21)c1cc2c(s1)CCC2 16803770 XSVWNTVFKMDVGD-UHFFFAOYSA-N 386.429 3.281 5 40 GGBB Cc1ccc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1Cl 224150805 VREGHUQBVRNAMX-UHFFFAOYSA-N 384.841 3.222 5 40 GGBB NC(=O)c1c(Cl)nc(-c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1C(F)(F)F 1579475 NAGHFWZDLMMRAN-UHFFFAOYSA-N 390.661 3.336 5 40 GGBB COC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(C)cc1 907434 RFSFDWAZYOAHIL-UHFFFAOYSA-N 384.417 3.416 5 40 GGBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OCC 7927682 HTVPQTFOVACKHX-UHFFFAOYSA-N 396.421 3.202 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2ccc(Br)cc2)cc1[N+](=O)[O-] 224769093 YWOXMWYHXKIUKB-UHFFFAOYSA-N 385.239 3.491 5 40 GGBB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 222754867 QASJKLPKWWCPOK-QZTJIDSGSA-N 379.445 3.383 5 40 GGBB Cc1cc(C(=O)Nc2ncccc2I)ccc1[N+](=O)[O-] 40158510 PUGRXSCVNXIVCP-UHFFFAOYSA-N 383.145 3.155 5 40 GGBB COc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 5127347 KZRASFRMSKZQSQ-UHFFFAOYSA-N 388.420 3.302 5 40 GGBB O=C(OCCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccc1[N+](=O)[O-] 24696717 MBTYGEZBIXMMNY-UHFFFAOYSA-N 388.763 3.091 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(F)cc2s1 6343024 ONVHRSXRGPEDPG-UHFFFAOYSA-N 388.380 3.102 5 40 GGBB O=C(OCc1ccccc1OC(F)F)c1cc2c(cc1[N+](=O)[O-])OCCO2 11009832 VVDFGYUPZRCIMF-UHFFFAOYSA-N 381.287 3.324 5 40 GGBB NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCCC2 32125117 XFMIIBMPVFMQGS-UHFFFAOYSA-N 389.433 3.042 5 40 GGBB O=C(c1ccc(Cl)cc1)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 36394256 OLYCSTZWPUMDRW-UHFFFAOYSA-N 389.839 3.085 5 40 GGBB CCOC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224789165 CSUCCMGUYZYYFK-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1csc([N+](=O)[O-])c1 47264690 WKRUKRCJGMBPNI-UHFFFAOYSA-N 376.438 3.075 5 40 GGBB N=c1nc(-c2ccc([C@H]3NC(=O)c4ccccc4O3)cc2[N+](=O)[O-])ss1 59488813 DOZOQDIAORHAOW-AWEZNQCLSA-N 386.414 3.080 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 95948639 RCDDJZDLGWSMOW-UHFFFAOYSA-N 383.809 3.383 5 40 GGBB Nc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1[N+](=O)[O-] 4866733 VSQNFJIMXUMOPP-UHFFFAOYSA-N 397.359 3.287 5 40 GGBB CS(=O)(=O)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 83984534 FYANRPCMLYMTHQ-OAHLLOKOSA-N 397.840 3.156 5 40 GGBB O=c1nc2c3ccc(F)cc3nc(CN3CCCCC3)n2nc1-c1ccccc1 585157927 NOIQDVAAAYGWKO-UHFFFAOYSA-N 389.434 3.430 5 40 GGBB O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F 612552599 KWBFVKQSNLTNBM-SNVBAGLBSA-N 398.316 3.156 5 40 GGBB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1 226862434 NVNGIEAPVMTIOH-UHFFFAOYSA-N 396.396 3.428 5 40 GGBB CC1CCN(S(=O)(=O)c2ccc(N(C)[C@H](C)C3CC3)c([N+](=O)[O-])c2)CC1 24982935 SWFAWIQSWSQIQC-CQSZACIVSA-N 381.498 3.250 5 40 GGBB CCOc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)c([N+](=O)[O-])cc1OC 12988785 RICALXLTGQJOQM-UHFFFAOYSA-N 399.403 3.381 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(Cl)c2)CC1=O 408644223 SCBKUJVGKIRHPN-NSHDSACASA-N 389.795 3.248 5 40 GGBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC1CCCCC1 6064781 ZQNZLPKNEQZUKO-CQSZACIVSA-N 389.452 3.189 5 40 GGBB CCOC(=O)COc1ccc([C@@H]2Oc3c(cccc3OC)C=C2[N+](=O)[O-])cc1 4894765 ADTBDJGXPNJHIT-IBGZPJMESA-N 385.372 3.388 5 40 GGBB CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])c1 7001760 KHUHUJVNZRNPMG-UHFFFAOYSA-N 393.421 3.032 5 40 GGBB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 15633436 ICDSVPLNMCGPBP-UHFFFAOYSA-N 392.419 3.418 5 40 GGBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)NCC1(C)CCC1 79022532 NFMCJJJMRJAPIZ-OAHLLOKOSA-N 381.860 3.309 5 40 GGBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(Cl)cc1C(=O)c1ccc[nH]1 89767971 KDQMFFZEIHRVQK-UHFFFAOYSA-N 387.783 3.033 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 224846425 QZDUWQMUJDYSBD-UHFFFAOYSA-N 398.824 3.235 5 40 GGBB COC(=O)c1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 408565623 CORCCKHEQOZSLK-KRWDZBQOSA-N 398.444 3.472 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cc(C)cc(C)c2)CC1=O 7929505 CCZXAWUKLBWDOT-CQSZACIVSA-N 384.388 3.179 5 40 GGBB Cc1ccc(C(=O)N[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)cc1 24977764 OLHNRJAGXOOCGQ-LJQANCHMSA-N 381.432 3.247 5 40 GGBB CN(C)c1ccc([C@@H](CNC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 46914717 AMVSXUNJUVIMKS-UEXGIBASSA-N 392.459 3.147 5 40 GGBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 224789448 IDAUSJVKQPMHEQ-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=C(CSc1nccn1-c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 27489981 HNBVXTHVSFNRNE-UHFFFAOYSA-N 380.429 3.462 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(F)cc1 5781922 CXRFOZWEGIPAGX-SBKJXLNCSA-N 388.351 3.326 5 40 GGBB CC(C)C(=O)Nc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 24211235 MJUOMKGUPBLMLW-UHFFFAOYSA-N 391.449 3.205 5 40 GGBB Cc1cccnc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408624840 CLARRIHRIXGXID-UHFFFAOYSA-N 385.449 3.025 5 40 GGBB COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(OC)ccc21 100873140 IEMPKAJDAVWPLJ-MSUUIHNZSA-N 393.446 3.069 5 40 GGBB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 14093928 JVFUAKZWNVWHAS-INIZCTEOSA-N 383.429 3.490 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 7356482 VSRQDZKQYUGSHL-MRXNPFEDSA-N 398.463 3.063 5 40 GGBB COc1cc(OCC(=O)Nc2ccc(Br)cc2)ccc1[N+](=O)[O-] 22259441 IXIWEQPSYCEZSI-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB CCNc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] 16780947 VVBJYNRIDAMIJA-UHFFFAOYSA-N 379.420 3.485 5 40 GGBB C[C@@]1(c2cccc(Br)c2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 225342628 QKCPHSXUNNSQAR-OAHLLOKOSA-N 393.266 3.429 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2ccccc2N2CCCC2=O)cc([N+](=O)[O-])c1 12985323 VUFWCQURGVOOQS-UHFFFAOYSA-N 397.387 3.151 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 7573914 BYZDILWDPKHKGJ-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@@H]2C12CC2 6220280 FFAHMWNZQNAWQE-DJBIQUGXSA-N 389.205 3.059 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C)cc1[N+](=O)[O-] 6965624 OADQCLMJIMJYKR-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB CC(C)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 409028635 OUXZJBVIFVPQJV-UHFFFAOYSA-N 391.449 3.123 5 40 GGBB CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)CC 222396544 MOCKWSNTCIILRU-UHFFFAOYSA-N 391.449 3.332 5 40 GGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 224767355 DUYRPBKKNCYQJA-UHFFFAOYSA-N 392.433 3.307 5 40 GGBB COc1c2c(cc3c1[C@@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 4038606 NDEKLSGDZJXAAG-BBWFWOEESA-N 392.516 3.054 5 40 GGBB CNc1ccc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 4509239 PVNGNNCFBAQDIZ-ZDUSSCGKSA-N 375.425 3.189 5 40 GGBB O=C(Nc1ccn(Cc2ccc(F)cc2)n1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2089725 RPQACOPKZCMWLK-UHFFFAOYSA-N 385.311 3.139 5 40 GGBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)o1 108201634 KDUYCHRUMCLZHT-RIYZIHGNSA-N 388.357 3.211 5 40 GGBB Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC[C@@H]3CCCO3)c12 36618505 CLLVMZGITJFCAL-AWEZNQCLSA-N 382.376 3.015 5 40 GGBB Cn1ccc(CC(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 96011156 GNOTZCRRXKMLEO-HNNXBMFYSA-N 396.241 3.065 5 40 GGBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 6176957 CSHWGZREXSVZND-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(I)cc1 40082691 JBYVLSHRDSOVAM-UHFFFAOYSA-N 396.184 3.472 5 40 GGBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224977425 MMJVRMLVIJJXBH-IRXDYDNUSA-N 397.475 3.469 5 40 GGBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225700737 IDCUMBJICSKLLT-IBGZPJMESA-N 397.475 3.469 5 40 GGBB Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c(C)n1 95470914 UDCOOSWAPNRFOR-UHFFFAOYSA-N 392.327 3.469 5 40 GGBB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1cccc([N+](=O)[O-])c1 19958977 BXNGOTXNAGFHHC-UHFFFAOYSA-N 399.410 3.252 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)Cc1c(F)cccc1Cl 6753556 DDHBOKRDGCLFLI-UHFFFAOYSA-N 381.791 3.466 5 40 GGBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCO2 2408214 DHUYUEHUKGQAHZ-UHFFFAOYSA-N 399.410 3.422 5 40 GGBB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3178565 YLRZWWHPSAQKQT-WMZOPIPTSA-N 396.403 3.260 5 40 GGBB COc1ccccc1N1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 3451464 ZATAGSQODAMLGF-UHFFFAOYSA-N 387.461 3.044 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 5111765 VEDFCECVFFDXKC-UHFFFAOYSA-N 398.293 3.418 5 40 GGBB CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 6755700 CYSFRQTYDRKNCU-UHFFFAOYSA-N 382.376 3.316 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 8168564 CZMLTUGRELTWBR-UHFFFAOYSA-N 395.824 3.392 5 40 GGBB O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc([N+](=O)[O-])cc1 9681465 ZIJBMUOTWPAOKQ-UHFFFAOYSA-N 378.388 3.232 5 40 GGBB CCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)cc1 20611740 KALXLMZEUSJXPO-UHFFFAOYSA-N 385.420 3.473 5 40 GGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2c(c1)NC(=O)CO2 32888332 GBCVMTJIDXFCQS-UHFFFAOYSA-N 399.406 3.124 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 216310754 CHVGFWMXLDAHLM-UHFFFAOYSA-N 398.400 3.043 5 40 GGBB Cc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])s2)cc1 224029659 YGRTXOKYGWKJFH-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225084446 KXCSQKXVOYORJK-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6052715 KGQKXRFQYCWJKA-GOSISDBHSA-N 396.403 3.260 5 40 GGBB O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 2068007 SFSRGYHEGJJXPL-UHFFFAOYSA-N 390.779 3.393 5 40 GGBB COc1ccc(C(=O)O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20142941 WLDMLXYYTVTVNL-UHFFFAOYSA-N 385.376 3.154 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1c([N+](=O)[O-])ccc(C)c1C 408619027 FPFYNHPCDVIVLN-UHFFFAOYSA-N 389.433 3.356 5 40 GGBB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1 226353757 UCVOODVUNTUHEZ-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB CCOC(=O)C1=C(C)N(C)[C@H]2C=CC(OC(=O)c3cccc([N+](=O)[O-])c3C)=C[C@@H]12 170591621 ZVIFKQHEDHBMBB-AEFFLSMTSA-N 398.415 3.281 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 15360746 OKHYSOIVCQVLCP-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB CCOc1ccccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270709 HGSUULAOKBCZKR-UHFFFAOYSA-N 393.399 3.456 5 40 GGBB Cc1nn(C)c(N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 47331106 FLHCCJLTBMMFPG-CYBMUJFWSA-N 386.481 3.130 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 7928292 QPRSMVXWWUZORP-NSHDSACASA-N 389.795 3.248 5 40 GGBB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 24776436 LYCLLUILPHEKEX-CQSZACIVSA-N 392.433 3.138 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1ccc2c(c1)OCO2 8130755 QDKIJNOVSGEPHT-UHFFFAOYSA-N 390.295 3.361 5 40 GGBB COc1ccc(C2=N/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)O2)cc1[N+](=O)[O-] 89651375 RVFHXEUZOMYCLO-NTUHNPAUSA-N 383.316 3.165 5 40 GGBB COCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2247025 UBYUNYICMATBNS-UHFFFAOYSA-N 377.448 3.364 5 40 GGBB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)COc1ccc([N+](=O)[O-])cc1 19617925 LAXNGFGCCXMQFI-UHFFFAOYSA-N 394.431 3.435 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 89591087 KHEQFYSZXBLPIE-UHFFFAOYSA-N 397.412 3.447 5 40 GGBB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 4966405 XWOVDKCWPKLXIL-GQCTYLIASA-N 384.266 3.402 5 40 GGBB CN(CCOc1ccccc1F)c1ccc(N2CCOC2=O)cc1[N+](=O)[O-] 83861043 SONVZCUTTUXRHE-UHFFFAOYSA-N 375.356 3.206 5 40 GGBB COc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=O)cc1 4738658 WKFSIWOCWXVYMZ-RDJZCZTQSA-N 385.401 3.186 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 1279970 XRSXIEBGBFSOTH-HOTGVXAUSA-N 390.500 3.262 5 40 GGBB biogenic O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4901433 ONBQVWGITCKGPW-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB CCCCNC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 11692078 ONCLWSCJZRQFMX-UHFFFAOYSA-N 385.427 3.407 5 40 GGBB CNc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1[N+](=O)[O-] 14400686 BYGMJIHJWODRPD-QGZVFWFLSA-N 383.383 3.029 5 40 GGBB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 16471596 HCGAGSGWPKNLQS-KRWDZBQOSA-N 389.839 3.052 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c1 25043617 MELOXRGIVYJNJB-LBPRGKRZSA-N 381.310 3.403 5 40 GGBB O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 43268509 ORYXWSDCSXZEQI-UHFFFAOYSA-N 397.357 3.439 5 40 GGBB Cn1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 67095408 UIYINOTZJPZNHP-FUHWJXTLSA-N 380.379 3.420 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H](O)c3ccccc32)c1C 96012553 BONFGSCGDWCJKG-QGZVFWFLSA-N 376.434 3.234 5 40 GGBB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 7323239 PTLYAJNCPFGCJN-UHFFFAOYSA-N 389.433 3.003 5 40 GGBB COc1ccc(CCCN(C)C(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 12889135 WJBDQCIDJVOFGQ-UHFFFAOYSA-N 388.420 3.325 5 40 GGBB Cc1cc2oc(=O)cc(Cn3cnc4ccc([N+](=O)[O-])cc4c3=O)c2cc1Cl 4412125 BLLXOQYUPSHTNG-UHFFFAOYSA-N 397.774 3.421 5 40 GGBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225073698 GKPOPQBNZCPRTM-IBGZPJMESA-N 397.475 3.471 5 40 GGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc2nnc(C(F)(F)F)n2n1 12823389 VIHLEKBEGDYJCA-UHFFFAOYSA-N 386.721 3.341 5 40 GGBB COc1cc2s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)[nH]c2c2cccnc12 13724965 CSOZODDIWMJZRV-UHFFFAOYSA-N 380.385 3.436 5 40 GGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 20496240 JLQPGWNAJKYXDN-JXMROGBWSA-N 381.304 3.205 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1 21596127 GCAQNUMXMOMCQP-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB O=C(NCc1ccc(N2CCCC[C@@H]2CCO)nc1)Nc1cccc([N+](=O)[O-])c1 40150065 XPGSKZYKYHZXKM-QGZVFWFLSA-N 399.451 3.053 5 40 GGBB C[C@H](C(=O)NC1CCCC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 58282565 NGSVBRFJMPVDEC-LLVKDONJSA-N 396.285 3.163 5 40 GGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1O 3158526 YDDWBBUHKZAEMD-UHFFFAOYSA-N 379.284 3.162 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 1102321 UYATUUOPJVOEOR-SNVBAGLBSA-N 377.759 3.379 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Cl)cc2)CC1=O 7928413 WFUBVQCUKHMWSC-LLVKDONJSA-N 389.795 3.248 5 40 GGBB CCc1cccc(CC)c1NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 58166438 HSODOFWPIPNMEQ-UHFFFAOYSA-N 376.434 3.375 5 40 GGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 409175660 AKYBIMKGVAQTLV-UHFFFAOYSA-N 381.684 3.422 5 40 GGBB CC[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 409004509 XJTZSJHAKRTZAV-KXBFYZLASA-N 399.447 3.347 5 40 GGBB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cccc([N+](=O)[O-])c1 12249416 YPUDAJMRZWOVIS-UHFFFAOYSA-N 386.389 3.288 5 40 GGBB CN(c1ccccc1)N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 3154362 STVURAOXUCUPKX-UHFFFAOYSA-N 392.327 3.304 5 40 GGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C 6966879 ZVZKKOBHUVJYSX-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 13672793 WMKGSKRRBCLQFC-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 18158200 RKROBLKADFNWMV-QRVBRYPASA-N 395.415 3.463 5 40 GGBB CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28042385 WWGOFQGCHANYHV-UHFFFAOYSA-N 390.339 3.314 5 40 GGBB CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 46464945 HWFCLWMJRKXHKY-CYBMUJFWSA-N 391.449 3.232 5 40 GGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2)CC1 57406066 MUDRWWPIALPQGU-CQSZACIVSA-N 388.855 3.397 5 40 GGBB CCOC(=O)N1CCN(C(=S)Nc2cc3ccncc3c3ncccc23)CC1 104349419 JCGIXHSPAWUJDG-UHFFFAOYSA-N 395.488 3.254 5 40 GGBB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 408575362 UNZCFBOALNYADZ-UHFFFAOYSA-N 387.446 3.343 5 40 GGBB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408758688 PFBNRJCQMMPBPN-YHBROIRLSA-N 390.395 3.485 5 40 GGBB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1ncc([N+](=O)[O-])s1 12321806 CHUIRVPDLZRRNU-UHFFFAOYSA-N 389.389 3.046 5 40 GGBB biogenic CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 8195919 GRQDBGVUEZEAPI-GFCCVEGCSA-N 391.449 3.232 5 40 GGBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c([N+](=O)[O-])c1 10253670 NMVSRFVPKCAROK-UHFFFAOYSA-N 378.406 3.038 5 40 GGBB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(CO)CC2)c([N+](=O)[O-])c1 52807627 QTGCFXFGBNDIDX-HXUWFJFHSA-N 383.448 3.287 5 40 GGBB C[C@H](Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1 107665772 OCJCNDUIXLWERB-SRXBQZRASA-N 379.372 3.282 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409229767 UUEZRGHPAXGZEI-SFQUDFHCSA-N 381.388 3.477 5 40 GGBB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 35948781 FWIFDFYRAIFWKK-QGZVFWFLSA-N 389.408 3.194 5 40 GGBB Cc1c(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cccc1[N+](=O)[O-] 15638369 DDXGMHWNDMFEOJ-AWEZNQCLSA-N 383.404 3.064 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 10448774 DEZGQMCUCKVVOG-UHFFFAOYSA-N 378.768 3.209 5 40 GGBB C[C@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc(-c2ccccc2)o1 32739607 LVIKDQCEIQLQNL-JTQLQIEISA-N 383.316 3.292 5 40 GGBB Cc1ccccc1NC(=O)Cc1nc(Cn2nc(C)c([N+](=O)[O-])c2C)cs1 22986396 GXUHXMBBTYGGKB-UHFFFAOYSA-N 385.449 3.403 5 40 GGBB C[N+](C)(C)CCCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 1830517 LPVZIQAZVXUSHP-UHFFFAOYSA-O 376.521 3.356 5 40 GGBB CC(C)NC(=O)N(C)c1ccc(Oc2ncc([N+](=O)[O-])c(NC3CC3)n2)cc1 48273623 OPABTFJYOOLLJD-UHFFFAOYSA-N 386.412 3.306 5 40 GGBB COC(=O)c1ccc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)cc1 409316679 ZIOAHDNSNOSPBU-VURMDHGXSA-N 383.316 3.013 5 40 GGBB CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccc(S(C)(=O)=O)cc1 218133152 ZAECQBDOZQBWRP-MRXNPFEDSA-N 376.434 3.188 5 40 GGBB O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 3178020 ZGHNSRAKMOUHFI-NHCUHLMSSA-N 384.496 3.015 5 40 GGBB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3449958 NUCLUBPVVSUUPM-NSHDSACASA-N 387.396 3.434 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 5101079 IAEZNUODMHOECH-INIZCTEOSA-N 379.294 3.096 5 40 GGBB CCCCc1noc(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)n1 12553231 RMWLIBGERBPZDJ-UHFFFAOYSA-N 379.848 3.296 5 40 GGBB COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1-c1ccc(CO)o1 20144852 BRQXIKAOULVIJY-UHFFFAOYSA-N 398.371 3.373 5 40 GGBB CCOC(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c(Cl)c1 30871234 KLNUSTLSEHVBAU-UHFFFAOYSA-N 398.824 3.367 5 40 GGBB Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)c1 225498179 MCLMFVJKVYOKRH-QGZVFWFLSA-N 397.475 3.388 5 40 GGBB C[C@H]1CN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 12600394 COOMPLAGABFUAQ-OKILXGFUSA-N 391.449 3.009 5 40 GGBB O=[N+]([O-])c1ccc2cnn(C[C@H](O)COc3cccc(Br)c3)c2c1 12751467 CQGDBSZMJLGCSU-AWEZNQCLSA-N 392.209 3.147 5 40 GGBB Cn1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(-c2ccc3c(c2)OCCCO3)n1 12927966 DXPUCRBRQFUUJI-UHFFFAOYSA-N 394.387 3.409 5 40 GGBB O=C(Nc1sc2c(c1C(=O)NC1CC1)CCC2)c1ccc([N+](=O)[O-])s1 65067581 CEZMKGALLLPSHH-UHFFFAOYSA-N 377.447 3.351 5 40 GGBB O=C(NC(=S)NNc1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408628486 UFVVLZQGKPYTMH-UHFFFAOYSA-N 382.401 3.486 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(Cc2cccc(C)c2)CC1 40095081 BZYZPXOWZBHCOX-UHFFFAOYSA-N 384.436 3.262 5 40 GGBB CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900195 KNVFQYFPCONZNU-UHFFFAOYSA-N 377.422 3.077 5 40 GGBB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)s1 5748790 RCJNEJGGHVJMNE-UHFFFAOYSA-N 389.256 3.248 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C 907281 KSNOYQFHYAAFNG-GFCCVEGCSA-N 398.448 3.213 5 40 GGBB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1C[C@@H]1CCCO1 3495193 AEZVNKBOWHTQMD-ZDUSSCGKSA-N 392.433 3.293 5 40 GGBB CC(=O)c1ccc(Sc2nnc(NC[C@@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140899 WHGPRKFMVADZEV-NSHDSACASA-N 380.451 3.391 5 40 GGBB COc1cc(C(=O)Nc2ccnn2Cc2cccc(C)c2)c([N+](=O)[O-])cc1OC 32809535 HZYJGJPBWMOHMW-UHFFFAOYSA-N 396.403 3.418 5 40 GGBB COC(=O)c1cn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)c2ccccc12 32818855 GMKJWGGSNYSHCX-CYBMUJFWSA-N 393.399 3.314 5 40 GGBB CC(C)OC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 205763122 VBTLKYCATOLIFG-WYMAPRSLSA-N 376.390 3.139 5 40 GGBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)OC(C)C 408606866 RPEBYLDXQHRFTM-SOFGYWHQSA-N 376.365 3.401 5 40 GGBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 3459133 TXXPIOFGBXXSMN-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB O=C(Cn1nc([N+](=O)[O-])nc1Br)c1ccc(Cl)cc1Cl 4776426 KPAOVEPSLPCBKM-UHFFFAOYSA-N 379.985 3.139 5 40 GGBB COc1cccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 218121886 ALLPSDUTSBHJTC-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(I)c1 40082695 HAXKNRDMGRJOPQ-UHFFFAOYSA-N 396.184 3.472 5 40 GGBB COc1ccc(C(=O)NCc2cc(F)ccc2Br)cc1[N+](=O)[O-] 48362882 ZSEAQNDMWDYVBO-UHFFFAOYSA-N 383.173 3.435 5 40 GGBB O=[N+]([O-])c1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 15674941 YRWHTCSTIPMBSZ-WBVHZDCISA-N 384.367 3.092 5 40 GGBB biogenic,in-vitro CNS(=O)(=O)c1ccc(NCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 15161511 MKDCVWJKVQIDBC-UHFFFAOYSA-N 379.482 3.131 5 40 GGBB CC(C)OC(=O)Oc1c(Br)cc2oc(=O)sc2c1[N+](=O)[O-] 713448 LDFXQRCJDRRMSI-UHFFFAOYSA-N 378.156 3.449 5 40 GGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1I 1515812 NWBWJKSFOIFGTP-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(F)cc2F)NC(=O)N1 6654913 CNGMEQUQGVZDDZ-MRXNPFEDSA-N 388.330 3.140 5 40 GGBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)ccc1Br 3232833 HBUFCTQGBBYQSZ-UHFFFAOYSA-N 383.154 3.054 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 25907811 IUKNJUYXSYCMAB-GHMZBOCLSA-N 375.347 3.253 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCc2cc(F)c(F)cc21 26342544 GJPOVNQWNCQXLU-UHFFFAOYSA-N 377.347 3.273 5 40 GGBB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 23101301 HDGWDQMSJGKCTB-UHFFFAOYSA-N 395.463 3.120 5 40 GGBB CC(C)[C@@H](NC(=O)C[S@](=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 58158000 AXSYZSLGIMUVPI-WXTAPIANSA-N 378.425 3.355 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])NCCc1csc(-c2ccccc2)n1 27993642 HCPXFVAGKHZXRD-UHFFFAOYSA-N 383.429 3.456 5 40 GGBB COc1ccc(OC)c(NC(=O)c2ccccc2Cn2cc([N+](=O)[O-])cn2)c1 2796388 JPJOEOMYHHVLMN-UHFFFAOYSA-N 382.376 3.109 5 40 GGBB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)cnc12 25834173 SCILSMAONODYHE-OAHLLOKOSA-N 394.431 3.223 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)N3CCCCC3)cc2[N+](=O)[O-])C1 4835504 BHJBHDKDIIOYPM-OAHLLOKOSA-N 389.452 3.000 5 40 GGBB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 8286231 FEJHGVDEBJVVBB-UHFFFAOYSA-N 399.428 3.055 5 40 GGBB Cc1cc(S(=O)(=O)N[C@H](C)Cc2nc3ccccc3s2)ccc1[N+](=O)[O-] 84101513 YAUIQYHGZFIWJZ-GFCCVEGCSA-N 391.474 3.422 5 40 GGBB O=C(CNc1cccc(Cl)c1N1CCOCC1)Nc1cccc([N+](=O)[O-])c1 32770383 CBGOMSHZFIZWAU-UHFFFAOYSA-N 390.827 3.135 5 40 GGBB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4977099 PVMHMGRMFJYHMQ-NSHDSACASA-N 399.432 3.215 5 40 GGBB COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] 4682384 OCBUUDBCYABSNT-UHFFFAOYSA-N 389.433 3.285 5 40 GGBB CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20035686 JXHJIIVCHKCBGC-UHFFFAOYSA-N 391.449 3.065 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCOCC1 9668714 KHVRAQNSJDJGOO-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccccc3)n2N2CCOCC2)c1 4602810 DNCRRSKDULVMTJ-VXPUYCOJSA-N 382.445 3.325 5 40 GGBB O=c1oc(-c2ccc(F)cc2)nn1CN1CCSc2ccc([N+](=O)[O-])cc21 40155490 FWKCJXIQETWKRQ-UHFFFAOYSA-N 388.380 3.120 5 40 GGBB CCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102728302 ZKKIRCDRNCNLIV-KZNAEPCWSA-N 381.388 3.073 5 40 GGBB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 4977101 PVMHMGRMFJYHMQ-LLVKDONJSA-N 399.432 3.215 5 40 GGBB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113875179 MZXISZSMQKGSIE-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB CS(=O)(=O)c1ccc(Sc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 15129368 OTRUNFPVJLPJOO-UHFFFAOYSA-N 381.431 3.311 5 40 GGBB O=C(N[C@H]1CCN(c2ncccc2F)C1)c1c([N+](=O)[O-])cccc1C(F)(F)F 612552592 KWBFVKQSNLTNBM-JTQLQIEISA-N 398.316 3.156 5 40 GGBB O=c1c2cnn(-c3cccc(Cl)c3)c2ncn1Cc1cccc([N+](=O)[O-])c1 4479147 NMHNWTVRUKBZFL-UHFFFAOYSA-N 381.779 3.192 5 40 GGBB C[C@@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57891816 NBLZMUNRTQFDDT-AWEZNQCLSA-N 388.855 3.397 5 40 GGBB COc1ccc(OC)c(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)c1 408527633 CCIBBLKMLHQAQM-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB COc1ccc(-n2ccn3c(-c4ccc([N+](=O)[O-])cc4)nnc3c2=O)cc1Cl 225534454 WSPXBMDERRCYEG-UHFFFAOYSA-N 397.778 3.117 5 40 GGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1n[nH]c2ccccc12 15033451 WBHXAHLKXXBMQS-UHFFFAOYSA-N 393.325 3.332 5 40 GGBB COC(=O)/C=C/c1ccc(N[C@@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1 79063710 GDWFZSCZIUIJIN-PDFOZTTASA-N 385.424 3.128 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 100390781 DIXNZQZUFYGELB-HZVDNRATSA-N 390.395 3.485 5 40 GGBB COc1ncccc1C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 12987663 HXZNEOLUWRHQJA-UHFFFAOYSA-N 377.356 3.482 5 40 GGBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 4310111 XUSZBFUXDMYUOG-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB COc1cccc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 408969640 RJUCTZFKVYXCLH-UHFFFAOYSA-N 383.404 3.094 5 40 GGBB COc1cc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(N)n2)cc(OC)c1OC 71977436 LIYDTPYYULLNDR-UHFFFAOYSA-N 382.376 3.327 5 40 GGBB COC(=O)c1cc(C(=O)N(C)CCCOc2ccccc2C)cc([N+](=O)[O-])c1 48365752 VOECKZXPEOWQOZ-UHFFFAOYSA-N 386.404 3.231 5 40 GGBB O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 6100492 UVCKGVPKZVRSQP-UHFFFAOYSA-N 391.796 3.424 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cccc(C)c2C)CC1=O 7928452 FKCVGVXSAQNJRF-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB O=C(CSc1ncnc2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9443428 YRIMLFCBEWZYPC-UHFFFAOYSA-N 385.361 3.177 5 40 GGBB CC(=O)c1csc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)n1 32888470 FYQAGVFAVLICRN-UHFFFAOYSA-N 377.425 3.453 5 40 GGBB Cc1ccc(-c2ccc(/C=C\c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 33928057 XHSLPTLIIMAUFM-UTCJRWHESA-N 384.304 3.031 5 40 GGBB C[C@H]1CCC[C@@H](n2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)[C@@H]1C 40399053 GMBJHBDZXWAQAP-IQUTYRLHSA-N 389.459 3.421 5 40 GGBB CCOC(=O)c1ccc(N2CCCN(c3ccc(F)cc3[N+](=O)[O-])CC2)nc1 58413362 XZNXMWWSTIXQRK-UHFFFAOYSA-N 388.399 3.022 5 40 GGBB CC1=C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 100838246 KMRYRSRGMQBZBX-MRXNPFEDSA-N 376.376 3.357 5 40 GGBB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408638651 CXJNYBIRVXYFBX-AWEZNQCLSA-N 383.404 3.157 5 40 GGBB O=C(C[C@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21)c1cccc([N+](=O)[O-])c1 1624462 CGVKNDAEXKLQAY-MRXNPFEDSA-N 381.171 3.314 5 40 GGBB endogenous,in-man CC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1(C)C 43087521 KIBHSAXZHHGGDH-XJKSGUPXSA-N 391.493 3.179 5 40 GGBB C[C@@H](Sc1nnc(-c2ccccc2O)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 4893534 MQCKQDKGHAKFRR-SNVBAGLBSA-N 386.389 3.470 5 40 GGBB COC[C@H](C)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4292620 ZQFAVLVZGLPZEB-ZDUSSCGKSA-N 380.473 3.279 5 40 GGBB Cc1cc(F)c2c(c1)CCCN2C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 43267373 WDOBIDMMADKIAJ-UHFFFAOYSA-N 399.422 3.472 5 40 GGBB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12032906 UBDXOZLHKWHAIO-UHFFFAOYSA-N 389.711 3.459 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1[N+](=O)[O-] 787012 QFSSMHIBTIEFMW-UHFFFAOYSA-N 399.432 3.135 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CC(c2ccccc2)=NO1 42918022 RSGFCMCBYPQDLC-HNNXBMFYSA-N 377.303 3.328 5 40 GGBB CCc1nc2ccccc2n1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 25007398 CYKMUNRLJMPSOM-UHFFFAOYSA-N 397.387 3.117 5 40 GGBB N=c1nc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2[N+](=O)[O-])ss1 59488816 OLGZKABZOYFDIJ-ZDUSSCGKSA-N 385.430 3.113 5 40 GGBB Cc1ccc2c(c1)C(=O)N(CCC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1)C2=O 27917777 YOIRAKZIXGYBTR-CYBMUJFWSA-N 382.372 3.194 5 40 GGBB COc1ccc(Nc2nc(Nc3cccc(OC)c3)nc(N)c2[N+](=O)[O-])cc1 9244682 PWPKIVXUQWHLRF-UHFFFAOYSA-N 382.380 3.471 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1N1CCOCC1 6247854 CFHHGPPSRPPNTL-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB Cc1cc(C)cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89585498 RMIRAGHFGWTKRH-UHFFFAOYSA-N 392.433 3.025 5 40 GGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cc(F)ccc1F 18078921 KGZGJXILAQYVJK-UHFFFAOYSA-N 377.303 3.200 5 40 GGBB CCNc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] 5692735 XHPPCBQLLJSWEZ-UHFFFAOYSA-N 391.811 3.153 5 40 GGBB aggregator O=[N+]([O-])c1ccc(NCCc2ccc(F)cc2)c(S(=O)(=O)N2CCCC2)c1 33014498 HXSUXOLHVRHCPS-UHFFFAOYSA-N 393.440 3.173 5 40 GGBB CC[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 25514925 JAIFHACXSIFYNQ-MRXNPFEDSA-N 381.392 3.065 5 40 GGBB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 3299077 BTVSXBIGGATCHA-UHFFFAOYSA-N 390.701 3.344 5 40 GGBB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 3362570 GZTYYOZXKLRTOX-UHFFFAOYSA-N 379.752 3.305 5 40 GGBB Cc1ccc(OCC(=O)Nc2ccc(Br)c(C)c2)c([N+](=O)[O-])n1 2658763 AKWMKIKOGBAFKC-UHFFFAOYSA-N 380.198 3.387 5 40 GGBB O=c1c(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)coc2c(Cl)cc(Cl)cc12 409380958 QENKPGRDVJRMRT-OWOJBTEDSA-N 396.142 3.380 5 40 GGBB CCN(CC(=O)NC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40129563 UDRCVPWTXMOYSO-UHFFFAOYSA-N 385.420 3.374 5 40 GGBB O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20648264 CLHJMGJSCAPEAA-UHFFFAOYSA-N 393.447 3.046 5 40 GGBB C[C@@H]1[C@@H](n2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)CCC[C@H]1C 253564408 GMBJHBDZXWAQAP-TYILLQQXSA-N 389.459 3.421 5 40 GGBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])o1 3202114 ITQQKFNXBMRYCU-UHFFFAOYSA-N 385.298 3.296 5 40 GGBB Cc1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 3383772 DCQSBKACRNQXOQ-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc(C(=O)O)c1O 20142971 ZUTXVDUBCWOJIQ-UHFFFAOYSA-N 385.376 3.160 5 40 GGBB Cc1nn(Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)c(C)c1[N+](=O)[O-] 13985265 GBAPHZCBXLLZTK-UHFFFAOYSA-N 394.387 3.437 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-] 22960064 PXZAINADXBCALQ-UHFFFAOYSA-N 391.449 3.232 5 40 GGBB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc([N+](=O)[O-])c1O 222569925 ITPZVXAEJWRNAU-CIISACIHSA-N 386.433 3.293 5 40 GGBB CCOC(=O)C(C(=O)OCC)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 91252364 PFGSJFKWWWPTHP-UHFFFAOYSA-N 383.706 3.477 5 40 GGBB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc2ccccc12 10335599 LGCAIAPGGCNUBN-IBGZPJMESA-N 399.472 3.329 5 40 GGBB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 6034034 FOVNTLFAACIUCC-UHFFFAOYSA-N 386.404 3.471 5 40 GGBB O=Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 5016764 NKHPPKUXKMCSAQ-UHFFFAOYSA-N 397.412 3.472 5 40 GGBB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 9698592 WMNOCKZHSOFLGX-UHFFFAOYSA-N 382.825 3.192 5 40 GGBB COc1cc(C(=O)Nc2ccc3oc(C)nc3c2)c([N+](=O)[O-])c(OC)c1OC 8369426 IFZVIGSBJPDWQJ-UHFFFAOYSA-N 387.348 3.323 5 40 GGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(C)c1)S(C)(=O)=O 220506454 KKQDQCMVANQJSH-KRWDZBQOSA-N 391.449 3.087 5 40 GGBB COc1cc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1O 12556319 PIGPWDQEVKSTND-BLVKFPJESA-N 399.403 3.055 5 40 GGBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(C)(=O)=O)cc1 15197253 HMDXUSVCZFNHBH-JTQLQIEISA-N 382.825 3.143 5 40 GGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 23114255 FDJXPUXNCNSJLK-FQEVSTJZSA-N 393.399 3.032 5 40 GGBB O=[N+]([O-])c1cccc(-c2noc(CN3CCCN(Cc4cccs4)CC3)n2)c1 30213008 DWCCQWVDLGLHDQ-UHFFFAOYSA-N 399.476 3.414 5 40 GGBB C[C@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 9352443 GFHPFJPNIUAOMP-ZDUSSCGKSA-N 380.466 3.315 5 40 GGBB Cc1cc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)ccc1[N+](=O)[O-] 12730075 DOIPHRKTUJKUCS-STQMWFEESA-N 390.465 3.221 5 40 GGBB CCn1c(SCC(=O)Nc2ncc([N+](=O)[O-])s2)nnc1-c1ccccc1 8990777 KANSUTHQPPKUJW-UHFFFAOYSA-N 390.450 3.061 5 40 GGBB Cc1cccc(CSCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 408908098 TWXNKKAXTRAKRY-UHFFFAOYSA-N 375.406 3.475 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccccc1 5604416 XZKJDFAWHQSEMU-INIZCTEOSA-N 379.294 3.204 5 40 GGBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1cc([N+](=O)[O-])ccc1Cl 6615595 IYCJRGVYGLNBKE-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB Cn1/c(=N\C(=O)c2ccc(Br)o2)sc2cc([N+](=O)[O-])ccc21 35586475 WNMYTHCEMASOTG-FYWRMAATSA-N 382.195 3.245 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1 2622623 RCKDEBFNVWUISE-LBPRGKRZSA-N 376.438 3.438 5 40 GGBB Cc1cc(OCc2ccc(-c3nc4c5cn[nH]c5ncn4n3)o2)ccc1[N+](=O)[O-] 17079884 YQEYBHDDNLGCOT-UHFFFAOYSA-N 391.347 3.056 5 40 GGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 4583494 OSKIVDKGVBSULW-UHFFFAOYSA-N 392.824 3.413 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2ccc(F)cc2)c1=O 5269017 CZLUNCXSVZHLTG-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280195 RNOZTLYDXPLCLN-ROUUACIJSA-N 386.468 3.230 5 40 GGBB biogenic COc1cccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c1 1280001 PLDCSSJHZFQWSC-QGZVFWFLSA-N 384.452 3.379 5 40 GGBB biogenic CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(F)cc2F)NC(=O)N1 6654887 CNGMEQUQGVZDDZ-INIZCTEOSA-N 388.330 3.140 5 40 GGBB COC(=O)c1cc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cc([N+](=O)[O-])c1 25015024 PIPZILSCGOCOBX-UHFFFAOYSA-N 394.387 3.436 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(N2C(=O)CCC2=O)c1 25830110 NHUOLYQSXDMMNP-ZDUSSCGKSA-N 381.388 3.081 5 40 GGBB CS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 4545819 CRXIDEXEHBDTGP-UHFFFAOYSA-N 399.428 3.153 5 40 GGBB COc1cccc2c(=O)c3c(=O)n(Cc4ccccc4)c(SC)nc3oc12 6756107 MKQQHTPOTXLHKR-UHFFFAOYSA-N 380.425 3.282 5 40 GGBB Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc([N+](=O)[O-])cc1 9805597 DXSABRZLYQJQAU-UHFFFAOYSA-N 399.388 3.274 5 40 GGBB CN1CCN(c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2[N+](=O)[O-])CC1 25156558 YQGKSKBZBOJJGQ-UHFFFAOYSA-N 391.431 3.147 5 40 GGBB CCOc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1 10187939 NVTAURXGCKOJMC-UHFFFAOYSA-N 393.399 3.456 5 40 GGBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc3[nH]c(=O)sc3c2)cc1[N+](=O)[O-] 78954442 PGCDLKPPVDDVQG-UHFFFAOYSA-N 399.837 3.260 5 40 GGBB COc1ccccc1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1nccn1C 12507623 NKCRLAWUIJPSHM-KRWDZBQOSA-N 381.392 3.248 5 40 GGBB CCOc1cc2c(cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)O[C@H](C)C2 12757172 RTTZTHCOAMIAQR-GFCCVEGCSA-N 392.433 3.426 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCC(C)C)cc1 3352786 GACDIMAMFATXDJ-UHFFFAOYSA-N 392.433 3.057 5 40 GGBB COc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1 20528447 GGEJARWXZJNQQO-UHFFFAOYSA-N 381.728 3.426 5 40 GGBB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2)N1C(C)=O 4046632 KESMRDQTEMEIAJ-ICSRJNTNSA-N 393.399 3.112 5 40 GGBB biogenic CCOC(=O)CC[C@H]1CCCCN1c1ncc([N+](=O)[O-])cc1Br 95974221 CAFXFRDTVNMOJB-LLVKDONJSA-N 386.246 3.455 5 40 GGBB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 12865170 XQCCSQNNEIACFT-HNNXBMFYSA-N 394.435 3.115 5 40 GGBB Cc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 8417282 PKVNXORLTJMXIH-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 225691240 VIIJWQFMBLDLCH-UHFFFAOYSA-N 393.446 3.100 5 40 GGBB C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Oc1nonc1-c1ccccc1 15219128 SQHNKYLGMGFSCA-LLVKDONJSA-N 385.336 3.432 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2ccccc2F)c1=O 5270437 IYWZATZAGPYCAQ-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB COCCNc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 32744692 RDXUZJAPSQNAAO-LBPRGKRZSA-N 383.408 3.020 5 40 GGBB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 12738342 UBJVUAOZIDDRTK-MRXNPFEDSA-N 392.433 3.138 5 40 GGBB COc1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 2625639 QTEIYZQZEJLNGV-UHFFFAOYSA-N 385.405 3.135 5 40 GGBB CC[C@H](Nc1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1F 72304151 STIZQJKPICXYHT-WMLDXEAASA-N 382.413 3.062 5 40 GGBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCOCC1 408975575 NEXIGVMVKXNDMF-UHFFFAOYSA-N 395.422 3.352 5 40 GGBB COc1cc(CCNC(=O)c2cc(C)n(C3CC3)c2C)c([N+](=O)[O-])cc1OC 32788486 JLWLUKNGQIJNRF-UHFFFAOYSA-N 387.436 3.338 5 40 GGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)c([N+](=O)[O-])c1 408576305 XDUKBXJNHQLIDC-UHFFFAOYSA-N 397.431 3.042 5 40 GGBB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410788 JZKSECIGGZRQRT-UHFFFAOYSA-N 385.420 3.471 5 40 GGBB Cc1cc(NC2CCN([C@H]3CCOC3)CC2)nc(-c2cccc([N+](=O)[O-])c2)n1 84114698 VGNWPLRCPJLGGN-SFHVURJKSA-N 383.452 3.025 5 40 GGBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 225075320 WDXMXAYPOQEPOH-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB COCCCNC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3082346 WJOYGXCRPCJHFG-UHFFFAOYSA-N 375.337 3.062 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NC1CCC(O)CC1 12557087 XMAFRNHBFRWMLE-UHFFFAOYSA-N 391.449 3.111 5 40 GGBB Cc1cccc(-n2nc([N+](=O)[O-])c(NCc3ccc(F)cc3Cl)[n+]2[O-])c1 4922501 SYYYPFTVLZTEJJ-UHFFFAOYSA-N 377.763 3.127 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ncc(Br)cn2)CC1 48375077 LPIWRYAUTKPBJX-LBPRGKRZSA-N 392.257 3.031 5 40 GGBB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9192289 UYTYKGOBABPWGM-UHFFFAOYSA-N 396.447 3.284 5 40 GGBB COc1ccc(NC(=O)c2cccc(I)c2)c([N+](=O)[O-])c1 4256726 AXJQSCXSRALNFA-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)n1 67192556 GHXIMSOMABGSQJ-UHFFFAOYSA-N 386.389 3.399 5 40 GGBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(OCCOc2ccccc2)cc1 409310133 QVOUBUJYBKPSBH-FLIBITNWSA-N 395.371 3.424 5 40 GGBB CCOC(=O)c1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)cc1 409327764 MPEOZDCIFUFMER-NTMALXAHSA-N 397.343 3.403 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=c1/[nH]c(-c2ccccc2)cs1 5579357 FRXWDMJUQLWABC-UHFFFAOYSA-N 375.431 3.249 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(I)c1 869716 ZQZVEWQFLHBMBU-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB CCOc1cc(/C=C2/N=C(S)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 1001054 SWUMELJEILBEEI-OQLLNIDSSA-N 399.428 3.329 5 40 GGBB aggregator C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 4822130 SLYFIKSBOWTJQM-FIFPYPGSSA-N 382.416 3.289 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ncnc2sc(C)c(C)c12 5850821 OFYHXUPASHSTIS-UHFFFAOYSA-N 388.405 3.242 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)cc1 23053400 DVKBOXYUPWIPOJ-UHFFFAOYSA-N 394.302 3.476 5 40 GGBB COC(=O)CCN(Cc1ccccc1)C(=O)CSc1ccc([N+](=O)[O-])cc1 58005053 TZYKXISMSICFLY-UHFFFAOYSA-N 388.445 3.279 5 40 GGBB CC(C)[C@H](NC(=O)C[S@](=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 58157999 AXSYZSLGIMUVPI-HFJWLAOPSA-N 378.425 3.355 5 40 GGBB COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N(C(C)=O)[C@@]15CC2)[C@H]34 253614747 AVRZAJRDJDMMDG-FYHVMQNLSA-N 395.523 3.016 5 40 GGBB biogenic,in-vitro Cc1cccc(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6967709 IOFYIVPZIATIRU-UHFFFAOYSA-N 389.839 3.284 5 40 GGBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 7759571 VZAXTWCDAKPYFC-UHFFFAOYSA-N 382.376 3.234 5 40 GGBB CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1c(F)cccc1Cl 12850365 CFQVCFUEVAPLIL-UHFFFAOYSA-N 377.803 3.408 5 40 GGBB C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(N(C)C)nc1 95446793 IXDSUYJKFPGFEN-ZDUSSCGKSA-N 382.424 3.299 5 40 GGBB CO[C@@H]1[C@@H](C)[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C 97033957 TWHPIITWNRUQIO-ZEGGKSINSA-N 378.397 3.063 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 32753896 IQMGYOCFIIWZLR-UHFFFAOYSA-N 389.411 3.346 5 40 GGBB CC(C)(C)OC(=O)COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12545179 LVBCVTDUMCFMDW-UHFFFAOYSA-N 378.425 3.474 5 40 GGBB CN1C(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2C1=O 44714906 LCFGYNKOSAKMCB-UHFFFAOYSA-N 381.369 3.288 5 40 GGBB CC(C)(C)OC(=O)NC(C)(C)c1noc(COc2ccc([N+](=O)[O-])cc2)n1 58163758 MQNAIRKOSKTWKV-UHFFFAOYSA-N 378.385 3.317 5 40 GGBB CC(=O)Nc1cccc2c1CCN(c1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-])C2 54125424 JTLIHCYDDYTIOP-UHFFFAOYSA-N 396.447 3.254 5 40 GGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 23486817 CVKZJPSTFCSWKL-AHKGRUIUSA-N 394.475 3.253 5 40 GGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nnn(-c2ccccc2)c1=S 12745023 CKNAUAGAQYCGSX-UHFFFAOYSA-N 390.856 3.449 5 40 GGBB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 26529539 DUOSGZLDVWVWDO-UHFFFAOYSA-N 386.813 3.375 5 40 GGBB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4687401 QZBCESLSIFAFGL-UHFFFAOYSA-N 380.448 3.440 5 40 GGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 32126282 YVYLIGILYNWHRO-UHFFFAOYSA-N 379.781 3.104 5 40 GGBB Cn1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)ccc1=O 10325220 CSEXJUVQQOSKTO-UHFFFAOYSA-N 384.779 3.261 5 40 GGBB CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 7639894 CTFGQNJHXXBMKE-UHFFFAOYSA-N 377.784 3.047 5 40 GGBB C[C@H](NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1)C12CC3CC(CC(C3)C1)C2 8329897 WQSYZTNCDDOSKK-NZWMYCLXSA-N 376.409 3.066 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3cccc([N+](=O)[O-])c3)cc1)[C@H]1C=C[C@H]2C1 100390785 DIXNZQZUFYGELB-SLUIBLPYSA-N 390.395 3.485 5 40 GGBB CCOc1ccc(C(=O)Nc2ccc(-c3nc(C)cc(=O)[nH]3)cc2)cc1[N+](=O)[O-] 58439493 QBEKLHZJFXEHEY-UHFFFAOYSA-N 394.387 3.305 5 40 GGBB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])cc1Br 4926446 FRDMMVMGAHWKCI-GQCTYLIASA-N 395.165 3.145 5 40 GGBB Cc1ccc(C(=O)Nc2cccc(C(=O)NCC(F)(F)F)c2)cc1[N+](=O)[O-] 8726799 MEWQFUQZBTVELN-UHFFFAOYSA-N 381.310 3.448 5 40 GGBB C[C@@H]1CCC[C@@H]2C1=NN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@]2(O)C(F)(F)F 409182970 PUGVFGUSJJPJMY-CKUKBARFSA-N 385.342 3.023 5 40 GGBB C[C@@H](c1ccccc1)N1CC[C@@H](Nc2cc3ncnc(O)c3cc2[N+](=O)[O-])C1 538084135 NMSVNYLSZVFFOE-DZGCQCFKSA-N 379.420 3.491 5 40 GGBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N(C)S(C)(=O)=O 222457894 NEGLGENIMMIJIC-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)CNC2=NC=N[C@H]3SC=C(c4ccccc4)[C@H]23)cc1 96035804 WMVAHRNVLNIZOC-NSHGMRRFSA-N 394.456 3.388 5 40 GGBB CCOc1ccc([C@@H]2CCCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 16141579 APCHTEYYRUCIFR-IBGZPJMESA-N 397.431 3.087 5 40 GGBB COc1ccc(/C=C2\C(=O)N[C@@H]3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1 1637160 ALPCFHJYBJDHMV-HVRVZBDQSA-N 381.413 3.405 5 40 GGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(O)cc1 4976624 IIVJSIPUOSTZFR-UHFFFAOYSA-N 399.432 3.310 5 40 GGBB O=C(COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 7983411 MQXVPQWXVAPXFE-XBXARRHUSA-N 392.770 3.260 5 40 GGBB CCOC(=O)c1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 22607795 IFMVULLKPYLVCN-UHFFFAOYSA-N 384.395 3.363 5 40 GGBB O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 12754065 UZQLUJZZQJMNHH-SFHVURJKSA-N 389.839 3.052 5 40 GGBB COc1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])ccc1N1CCCC1=O 11445742 HLHCLSLUMZOEER-DHZHZOJOSA-N 381.388 3.382 5 40 GGBB CN(C)Cc1nnc([C@@H]2CCCCN2C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)o1 583621971 NFBAQBCGYILVFG-AWEZNQCLSA-N 393.831 3.060 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccccc1 5604298 XZKJDFAWHQSEMU-MRXNPFEDSA-N 379.294 3.204 5 40 GGBB C[C@@H](NC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 15940956 HFTITWWAATUJHK-CQSZACIVSA-N 379.420 3.338 5 40 GGBB CNc1ccc(C(=O)c2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 12526759 XWIQSDXFGYAQIB-UHFFFAOYSA-N 379.372 3.391 5 40 GGBB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cccc([N+](=O)[O-])c1 3245514 UNYMPHGNRCPLEP-UHFFFAOYSA-N 385.401 3.319 5 40 GGBB COC(=O)CN(Cc1ccccc1Cl)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 58023865 VHXIUWCWWXYSFR-MDZDMXLPSA-N 388.807 3.463 5 40 GGBB Cc1ccc(C(=O)CCC(=O)OCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1C 16550820 UYUGVXWWSXJYRW-UHFFFAOYSA-N 384.388 3.017 5 40 GGBB COc1cc(Cn2cnc3cc(F)ccc3c2=O)c([N+](=O)[O-])cc1OC(F)F 8993893 WAWKKOSZNZCGHH-UHFFFAOYSA-N 395.293 3.102 5 40 GGBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 26534227 RWWKJWFNGGMDDU-KBPBESRZSA-N 383.404 3.097 5 40 GGBB C[C@@H]1CCC[C@@H](n2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)[C@@H]1C 40399052 GMBJHBDZXWAQAP-PJIJBLCYSA-N 389.459 3.421 5 40 GGBB CC(=O)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 5378149 ULBRSOJYAPSKKI-GOSISDBHSA-N 377.356 3.399 5 40 GGBB C[C@H](Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(-n2cccn2)c1 95455282 GHYPDPNOCFJRIJ-NSHDSACASA-N 392.462 3.419 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4608588 OYGAGARCQNUPSS-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB O=C(/C=C/c1c(Cl)nc2ccccn12)NCCNc1ccccc1[N+](=O)[O-] 15093448 XPDNUAHDHSXARE-CMDGGOBGSA-N 385.811 3.137 5 40 GGBB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1O 408628401 SMFZMQFWNLENMW-UHFFFAOYSA-N 381.797 3.089 5 40 GGBB O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 3178015 ZGHNSRAKMOUHFI-SFTDATJTSA-N 384.496 3.015 5 40 GGBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC(C)C)cc1[N+](=O)[O-] 6362257 NATQZQIEKOEAED-UHFFFAOYSA-N 391.449 3.090 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25835535 FCAKQCQIWFAVDJ-GOEBONIOSA-N 385.420 3.260 5 40 GGBB Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C 55595458 QBAGJWOCTBEPKL-UHFFFAOYSA-N 389.433 3.361 5 40 GGBB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 12913873 QNWZGUIUVPWUFA-UHFFFAOYSA-N 390.827 3.418 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)OC(C)C)cc1 13159122 WTXDZWCZCODPCJ-UHFFFAOYSA-N 379.390 3.236 5 40 GGBB O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1 14015128 LSKXDJCKIJECLE-UHFFFAOYSA-N 379.372 3.469 5 40 GGBB CN(Cc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 8051495 LPKROFISEJXQEZ-UHFFFAOYSA-N 390.248 3.185 5 40 GGBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc21 16745984 XOHGXRNAESTBPW-CYBMUJFWSA-N 396.399 3.240 5 40 GGBB CC[C@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409015360 RRAYOOVTOSTPCR-IEMQHYRPSA-N 391.449 3.266 5 40 GGBB O=[N+]([O-])c1ccc(-c2nnc3n2CN(c2ccc([N+](=O)[O-])cc2)CS3)cc1 4235187 OYGOUPUSFFZJAP-UHFFFAOYSA-N 384.377 3.289 5 40 GGBB biogenic Cc1nc(N2CCN(c3ccccc3)CC2)nc(NCc2ccco2)c1[N+](=O)[O-] 38488510 AMLUKGVQOXPWOI-UHFFFAOYSA-N 394.435 3.225 5 40 GGBB O=C(COc1cc(C(=O)O)ccc1[N+](=O)[O-])Nc1ccc(Br)cc1 13187080 DPDUSDBTSWTGMR-UHFFFAOYSA-N 395.165 3.073 5 40 GGBB C[C@H](OC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccnc1Cl 15798871 QCUPUXVZKXWJAI-FBOQAHMBSA-N 375.768 3.227 5 40 GGBB CC(=O)Oc1cc(OC(C)=O)c2c(-c3ccc([N+](=O)[O-])cc3)cc(=O)oc2c1 943187 KGNNLRRDESUVSK-UHFFFAOYSA-N 383.312 3.219 5 40 GGBB biogenic COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 8062664 GWSRKJSJUBOSBE-UHFFFAOYSA-N 380.784 3.204 5 40 GGBB CN1CCN(C(C)(C)CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1 25058301 SEFPOFGMZKANEN-UHFFFAOYSA-N 396.491 3.264 5 40 GGBB Cc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1[N+](=O)[O-] 52712587 LGZLCLOMBALFMX-UHFFFAOYSA-N 380.404 3.024 5 40 GGBB CC(C)C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 4387288 OQWJFHMSUYBXOP-KRWDZBQOSA-N 399.403 3.076 5 40 GGBB COc1ccc(-c2nc(CNC(=O)COc3ccccc3[N+](=O)[O-])cs2)cc1 15832660 CDXFXYBJSIGLKS-UHFFFAOYSA-N 399.428 3.422 5 40 GGBB C[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 12806466 CWOBDDBNSZYBBD-AWEZNQCLSA-N 377.400 3.355 5 40 GGBB O=C(O)c1cc(-n2nnnc2SCc2ccc([N+](=O)[O-])cc2)ccc1Cl 1815911 BHLZDAYZLPOUHL-UHFFFAOYSA-N 391.796 3.214 5 40 GGBB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc([N+](=O)[O-])ccc1Br)OC2=O 100260685 VFENXSBMYVPBTO-HOTGVXAUSA-N 397.225 3.418 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3cccc(Cl)c3)c2)cc1 2804888 XHXWGCSGHQCHIL-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB CC[C@@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 12925494 XEKOYZBVJCWISI-OAHLLOKOSA-N 387.461 3.231 5 40 GGBB Cc1nnc(SC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 15235679 OKQSERKAMIPKBM-MRXNPFEDSA-N 386.433 3.016 5 40 GGBB CCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 9698630 FMNHGISPAQISFM-UHFFFAOYSA-N 397.840 3.189 5 40 GGBB O=[N+]([O-])c1cnc(N(Cc2ccc(O)cc2)Cc2ccco2)nc1NC1CC1 89797707 LOJXXCNXGOEDLN-UHFFFAOYSA-N 381.392 3.465 5 40 GGBB CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)Sc2c1nc(C)n2C(=O)CC 16777221 RCOMEEHLZKISLP-UHFFFAOYSA-N 387.421 3.360 5 40 GGBB Cc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)cc1[N+](=O)[O-] 4906965 QWVHUDWPQQNUAX-UHFFFAOYSA-N 394.416 3.454 5 40 GGBB Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccco2)cc1[N+](=O)[O-] 7309748 CRWVREZPCXFCJE-UHFFFAOYSA-N 376.390 3.480 5 40 GGBB Cc1sc(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] 40106930 FEEIJWBYHYHJHS-UHFFFAOYSA-N 391.424 3.138 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)c2ccccc2C)CC1 48290842 ADNMDZYTDBFPDC-UHFFFAOYSA-N 397.431 3.089 5 40 GGBB Cc1cccc(Cc2cnc(NC(=O)Cn3ccc([N+](=O)[O-])n3)s2)c1Cl 48367746 WTEHGVVLXJNAJV-UHFFFAOYSA-N 391.840 3.439 5 40 GGBB CC(=O)Nc1ccc2c(COC(=O)c3cccc(C)c3[N+](=O)[O-])cc(=O)oc2c1 49579205 VGAJDEXGNJALHB-UHFFFAOYSA-N 396.355 3.325 5 40 GGBB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225041795 ZEHZOHXFYVCIPN-KRWDZBQOSA-N 397.475 3.123 5 40 GGBB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 4973943 OXUZRKHHTYDRCM-UHFFFAOYSA-N 396.407 3.066 5 40 GGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1C(C)C 20051119 VZASHPRRGHOIKI-UHFFFAOYSA-N 379.442 3.069 5 40 GGBB Cc1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 2737679 ZMFBKRCAWWHWBX-UHFFFAOYSA-N 386.795 3.298 5 40 GGBB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1cc([N+](=O)[O-])ccc1F 3240470 WWFYSMWXQGEUHE-UHFFFAOYSA-N 388.138 3.231 5 40 GGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NC[C@@H](CO)Cc1ccco1 32829367 PZDMEWOSVYBRDV-VIFPVBQESA-N 389.286 3.378 5 40 GGBB O=C(COc1ccccc1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17079282 GAKDXEBGVBKSEX-UHFFFAOYSA-N 388.430 3.097 5 40 GGBB Cc1cccc(C)c1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6640348 LZKCZQJCZXMYMD-HNNXBMFYSA-N 384.436 3.109 5 40 GGBB COC(=O)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc([N+](=O)[O-])c1 12627227 TUINRDJJHPSNIK-KRWDZBQOSA-N 394.387 3.235 5 40 GGBB CCOc1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OCC 30852692 IRJVHQSRCXUXJH-UHFFFAOYSA-N 394.449 3.012 5 40 GGBB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 44884581 MMIMHXPERZHUKW-ZDUSSCGKSA-N 391.449 3.065 5 40 GGBB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 224517860 PMAXTLKKSQZVKQ-CYBMUJFWSA-N 393.469 3.454 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 5101078 IAEZNUODMHOECH-MRXNPFEDSA-N 379.294 3.096 5 40 GGBB Cc1ccc(NC(=O)[C@@H](OC(=O)C2=COCCO2)c2ccccc2)c([N+](=O)[O-])c1 4871195 LOXDTAQNXFPNHI-SFHVURJKSA-N 398.371 3.014 5 40 GGBB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 3486209 VSARDAJYODPZEP-UHFFFAOYSA-N 376.340 3.317 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(I)cc1 842482 QGDWLPKUNKXVIK-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 8395788 IDJGFUWLYUXMMM-UHFFFAOYSA-N 381.310 3.372 5 40 GGBB COC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 5260049 FUMQBLMFVXCSJQ-UHFFFAOYSA-N 396.446 3.123 5 40 GGBB CN(Cc1ccccc1)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409055233 XTXWKJASUXZCJO-UHFFFAOYSA-N 381.432 3.106 5 40 GGBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1F 32931514 BIFPAFMWWAHTLK-UHFFFAOYSA-N 399.422 3.211 5 40 GGBB Cc1nc(N2CCN(Cc3ccccc3)CC2)nc(N2CCCCC2)c1[N+](=O)[O-] 38488498 FRSRVYPATDYDPV-UHFFFAOYSA-N 396.495 3.006 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCc1ccc(OC(F)F)cc1 40071737 GTHRHWZGUKOHEY-UHFFFAOYSA-N 386.376 3.026 5 40 GGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 3442348 JPIDFIDGUAOIFE-UHFFFAOYSA-N 382.731 3.191 5 40 GGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc3ccccc23)CC1 24757231 UNHQMQRJFSJBBH-UHFFFAOYSA-N 389.411 3.346 5 40 GGBB COCCCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c1C 5020814 IWKAHKRDFHHWIL-UHFFFAOYSA-N 380.422 3.151 5 40 GGBB COc1ccc([C@H]2CCCN2C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 21625207 LRKGBJJHQKOCIL-GOSISDBHSA-N 397.431 3.005 5 40 GGBB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] 36397783 LCNAKEICFYAONP-UELRPHRMSA-N 388.445 3.231 5 40 GGBB COc1ccc(NC(=O)N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 32895413 WJIKOKWDHCNLPE-UHFFFAOYSA-N 387.392 3.211 5 40 GGBB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2F)cc1 58161917 HTOCDENOUPYYRL-UHFFFAOYSA-N 387.396 3.354 5 40 GGBB CNc1ccc(C(=O)Nc2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] 42762975 XPZRJMGRISSFFF-UHFFFAOYSA-N 381.392 3.201 5 40 GGBB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1 6566121 KKEGIPJUCIIRPJ-VQHVLOKHSA-N 385.332 3.007 5 40 GGBB Cc1ccc(-n2ccc3nc4ncnn4c(-c4ccccc4)c3c2=O)cc1[N+](=O)[O-] 19960224 LIVDFDIJMMXPJL-UHFFFAOYSA-N 398.382 3.312 5 40 GGBB CC[C@@H]1CCc2c(sc3ncn4nc(Cn5cc([N+](=O)[O-])cn5)nc4c23)C1 2803781 RKUBPVVBTCVFTG-SNVBAGLBSA-N 383.437 3.007 5 40 GGBB CCc1onc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 6087475 AQUJSSNRRMLTMZ-VIFPVBQESA-N 381.772 3.291 5 40 GGBB COc1ccc(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)cc1[N+](=O)[O-] 13985989 WRBZYLHZICCFLI-AWEZNQCLSA-N 376.434 3.486 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409240343 GSJWXRVODLMYQY-LFIBNONCSA-N 381.388 3.477 5 40 GGBB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35448414 DNTNSDAAZIEUOF-HNNXBMFYSA-N 378.432 3.470 5 40 GGBB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 24924765 ZCUBPBWWNLYGTI-UHFFFAOYSA-N 396.451 3.150 5 40 GGBB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 5414874 WUYPJMOSJRKJJQ-ZDUSSCGKSA-N 398.448 3.307 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 101847484 SZQUKSDPJDSYML-VJANTYMQSA-N 394.383 3.362 5 40 GGBB O=C(COC(=O)c1ccccc1Br)Nc1cc([N+](=O)[O-])ccc1F 3338164 OPGJFFYZKCWKDM-UHFFFAOYSA-N 397.156 3.292 5 40 GGBB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2625665 RZFJZVMQKLLBHV-GFCCVEGCSA-N 399.432 3.303 5 40 GGBB CCOc1ccccc1[C@@H]1[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408564895 GGAROIMYLXVQCD-RYTRXMBJSA-N 393.443 3.140 5 40 GGBB O=C(NCc1cccc(CN2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1Cl 224707363 NCVMAXSJFFUNTN-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 5578913 HGISOTUWBJVTIR-UHFFFAOYSA-N 394.767 3.304 5 40 GGBB Cc1cc(C)cc(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 23143529 LOYOKRQQSGFISX-UHFFFAOYSA-N 384.841 3.222 5 40 GGBB O=C(NCc1nc2ccccc2s1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 31202937 ACLGXRMHVCMWNJ-UHFFFAOYSA-N 379.401 3.320 5 40 GGBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 6044218 LZUKNGVKJXCBLC-UHFFFAOYSA-N 398.488 3.049 5 40 GGBB CCCOc1ccc(OCCOC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 24884316 GKORNMOZFXYFNQ-UHFFFAOYSA-N 389.360 3.348 5 40 GGBB Cc1ccccc1Oc1cc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)cc([N+](=O)[O-])c1 101844073 KABZEXOEDWBXCZ-VJANTYMQSA-N 394.383 3.362 5 40 GGBB Cc1ccc(S(=O)(=O)NCCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 5027250 LDLVYIQVOXLMCB-UHFFFAOYSA-N 383.857 3.337 5 40 GGBB Cc1c(NC(=O)CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] 12879874 YJJAVAXPKFESPM-MRXNPFEDSA-N 396.447 3.192 5 40 GGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCc1c(C)[nH]c2ccccc12 95461352 RCMSWFHTZTUDIV-UHFFFAOYSA-N 394.431 3.299 5 40 GGBB COc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1[N+](=O)[O-] 13957470 DRDMHFCRSNVELP-UHFFFAOYSA-N 396.388 3.022 5 40 GGBB O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4497530 USZXJPRQFRJPMN-ICSVTGKESA-N 385.807 3.183 5 40 GGBB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 40154076 JRGPYHPYGAEUPU-INIZCTEOSA-N 391.431 3.037 5 40 GGBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)C(=O)Nc1ccc(Br)cc1F 2794338 BWRWHGBCULIOJT-QMMMGPOBSA-N 385.193 3.276 5 40 GGBB CCc1cc(N2CCCC[C@@H]2c2nc[nH]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 95467650 QLHBKSHOKGQMHS-MRXNPFEDSA-N 379.424 3.464 5 40 GGBB C[C@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 4120671 SRYMQXOQLMEIBW-AWEZNQCLSA-N 385.445 3.494 5 40 GGBB COc1cc(Br)c(COC(=O)c2ccc([N+](=O)[O-])o2)cc1OC 7745184 WJPMZLUSISYXAZ-UHFFFAOYSA-N 386.154 3.325 5 40 GGBB COc1ccc(-c2noc(-c3ccc(N4CCN(C)CC4)c([N+](=O)[O-])c3)n2)cc1 8586880 MFXIDSPGVGOGOL-UHFFFAOYSA-N 395.419 3.072 5 40 GGBB aggregator O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)OCC(=O)c1ccc(F)cc1 4625307 FJGZDKLPMVXQLT-UHFFFAOYSA-N 389.364 3.128 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC(=O)c2ccco2)cc1 6926626 BGXFSVQEDGOPJE-UHFFFAOYSA-N 395.323 3.447 5 40 GGBB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1 12633403 MOROIDHJWBCROW-UHFFFAOYSA-N 387.392 3.273 5 40 GGBB O=C(NCc1ccccc1)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 12767468 URMKCPKJUVLOJB-MDZDMXLPSA-N 393.443 3.163 5 40 GGBB COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(F)c21 100877804 VBAHJKIJWJBFHI-ZPHPHTNESA-N 375.381 3.138 5 40 GGBB CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@H](C)O 107535993 COUVHWMTKHUUIE-JSGCOSHPSA-N 378.860 3.078 5 40 GGBB CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12970581 PUBLVPCNOOYQHQ-UHFFFAOYSA-N 386.433 3.171 5 40 GGBB Cc1ccc(COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 4579910 NQQSUBRWAMUOJU-UHFFFAOYSA-N 376.434 3.267 5 40 GGBB Cc1ccc(C2=NN=C(NCc3ccc4c(c3)OCO4)SC2)cc1[N+](=O)[O-] 7889297 ZDVYAAIOHGUQGL-UHFFFAOYSA-N 384.417 3.229 5 40 GGBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1Cc1ccncc1)CCC2 5264409 LIMKZQWRECQCDE-UHFFFAOYSA-N 394.456 3.376 5 40 GGBB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13988375 JCAWPMHPDZNVEB-JDFRZJQESA-N 388.420 3.195 5 40 GGBB O=[N+]([O-])c1cc2c(c(CN3CCN(c4cccc(Cl)c4)CC3)c1)OCOC2 57442529 KUALAEJESXITMP-UHFFFAOYSA-N 389.839 3.437 5 40 GGBB Cc1ccccc1N1CCN(C(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)CC1 72328760 ULTRYEDBAAJMIC-UHFFFAOYSA-N 391.431 3.256 5 40 GGBB COCCCCN1C(=O)[C@H](Oc2cccc(F)c2)[C@H]1c1cccc([N+](=O)[O-])c1 58154932 BBPPKQKCDODQPS-RTBURBONSA-N 388.395 3.491 5 40 GGBB O=C(Nc1ccnn1C1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 58391399 DJNGJZZQEADUNA-UHFFFAOYSA-N 399.451 3.385 5 40 GGBB O=C(NCCCNC(=O)c1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8402897 AVIWWLMOFFCGQA-UHFFFAOYSA-N 399.428 3.466 5 40 GGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 224713383 OJMRLHYVLGXMOB-UHFFFAOYSA-N 398.824 3.007 5 40 GGBB O=C(Oc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1)c1ccco1 851608 GTQWTZJCJPUENP-UHFFFAOYSA-N 378.296 3.208 5 40 GGBB Cc1cc(F)ccc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 17079055 LICCQSNVZZTZPH-UHFFFAOYSA-N 387.371 3.453 5 40 GGBB COc1cc(OCC(=O)NCCOc2cccc3ccccc23)ccc1[N+](=O)[O-] 66025268 TVGMUIJOEZMABY-UHFFFAOYSA-N 396.399 3.331 5 40 GGBB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 47339034 ANWRUXQOWWEMGX-UHFFFAOYSA-N 391.449 3.186 5 40 GGBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[C@@H]1CCCO1 2959646 WOJPXMQPLGAXEU-AWEZNQCLSA-N 392.484 3.423 5 40 GGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(NC3CCCCC3)n2)c1 4306006 RZIJYAVXNZJEGA-UHFFFAOYSA-N 388.428 3.472 5 40 GGBB O=C(NCCNC(=O)c1cccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 8402044 GJXYNSAJVGZJLE-UHFFFAOYSA-N 385.401 3.076 5 40 GGBB CCOC(=O)c1cc(C(=O)NCCCOc2ccccc2F)cc([N+](=O)[O-])c1 11355258 XGBDEEDIEWZJSS-UHFFFAOYSA-N 390.367 3.110 5 40 GGBB C[C@@H](NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1 12938301 YAVBWLATGWCLHG-SNVBAGLBSA-N 393.852 3.317 5 40 GGBB C[C@@H]1COC[C@H](c2ccccc2)N1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 95452658 GZEZZEJSZZXSON-DNVCBOLYSA-N 397.431 3.355 5 40 GGBB CNc1ccc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)cc1[N+](=O)[O-] 4509247 PVNGNNCFBAQDIZ-CYBMUJFWSA-N 375.425 3.189 5 40 GGBB Cc1c(OCC(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12 5203365 FDAPPTCJOIYPCS-UHFFFAOYSA-N 391.427 3.036 5 40 GGBB COCCN(C)C[C@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 95944988 PDEAYAVHGDKZMM-LJQANCHMSA-N 397.475 3.373 5 40 GGBB O=C(Nc1cc(N2CCOCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 72229367 KKPSFOWPNGFHSU-UHFFFAOYSA-N 379.775 3.476 5 40 GGBB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35448417 DNTNSDAAZIEUOF-OAHLLOKOSA-N 378.432 3.470 5 40 GGBB COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611755 PRWVJVJWCFSPTB-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB O=C(O)CCc1ccc(Oc2cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c2)cc1 104184865 KZXOFVYDBYJALS-UHFFFAOYSA-N 377.265 3.221 5 40 GGBB Cn1ccnc1[C@](O)(CCNc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F 45802388 DAQHTWYZIVSOOY-CYBMUJFWSA-N 378.738 3.234 5 40 GGBB CCOc1ccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 17081667 HMCUKISCBMFABD-UHFFFAOYSA-N 399.407 3.404 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409229444 PACGWOIHQFBCSC-LDADJPATSA-N 381.388 3.477 5 40 GGBB COC(=O)c1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 40945764 JJGQIDGAUHCSKV-UHFFFAOYSA-N 396.446 3.123 5 40 GGBB Cc1ccccc1OCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6969286 XCBSUMNWMJKMRL-UHFFFAOYSA-N 389.839 3.284 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6969773 LMFULLWOLAORFC-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB Cc1cccc(C)c1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 8416461 VYXRSLBEZGCMCK-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB Cc1onc(-c2ccncc2)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 95426896 XGMVKOFDHWOEFN-LBPRGKRZSA-N 396.359 3.137 5 40 GGBB Cc1ccc(S(=O)(=O)NCc2ccccc2COC(C)C)cc1[N+](=O)[O-] 28043684 DVBNTLHOSBJIRT-UHFFFAOYSA-N 378.450 3.307 5 40 GGBB CCNc1ccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 8307764 YPDHHQMPWIPXQH-UHFFFAOYSA-N 384.436 3.354 5 40 GGBB Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC(C)(C)N1C[C@H](C)O[C@H](C)C1 85619996 BLVROYLQIOPKNX-OKILXGFUSA-N 378.473 3.221 5 40 GGBB CCOC(=O)c1cc(N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 225014125 YWFHMZZNFABYNV-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Cl)c(Cl)c3)[n+]2[O-])cc1 4924151 DZRWUEQLLUPPSX-UHFFFAOYSA-N 396.190 3.473 5 40 GGBB CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 6186279 IHIKNYUGDRAQNU-UHFFFAOYSA-N 386.389 3.180 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1[N+](=O)[O-] 7059910 UPDZIIMQDQBXMF-UHFFFAOYSA-N 389.477 3.031 5 40 GGBB Cc1cccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 8416418 YPZTZNMJIMCGSW-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccn1 14668327 BBZJCESLJYBPJB-UHFFFAOYSA-N 383.385 3.075 5 40 GGBB COc1ccc(NC(=O)c2cn(Cc3ccc([N+](=O)[O-])cc3)cn2)cc1OC 71775355 QZXDLXSBJKHDIQ-UHFFFAOYSA-N 382.376 3.109 5 40 GGBB CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc21 23077717 VCBAHYPPNRIKAO-DHZHZOJOSA-N 375.388 3.034 5 40 GGBB COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1 12511175 KZGMPQLDZXAKJY-UHFFFAOYSA-N 385.420 3.467 5 40 GGBB CC[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(OC)cc1 25514928 JAIFHACXSIFYNQ-INIZCTEOSA-N 381.392 3.065 5 40 GGBB CCC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 3204393 GHBGVJFPZCWYHG-FXAWDEMLSA-N 393.399 3.413 5 40 GGBB Cc1ccc(NC(=O)[C@@H](NCCCn2ccnc2)c2ccccc2)c([N+](=O)[O-])c1 12629354 FJXYACKOJLQMNP-FQEVSTJZSA-N 393.447 3.459 5 40 GGBB COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)C(C)C 6357755 HNAZQYRXBDWLNA-UHFFFAOYSA-N 387.392 3.215 5 40 GGBB Cc1nn(Cc2c(C(=O)Nc3ccc(F)cc3F)noc2C)c(C)c1[N+](=O)[O-] 17079882 HDQKRSNXRMXYDC-UHFFFAOYSA-N 391.334 3.283 5 40 GGBB C[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 17842588 JQLUAZFNQHIPAR-LLVKDONJSA-N 375.406 3.222 5 40 GGBB CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 193911376 CDKFVLMLRPGJRA-UHFFFAOYSA-N 389.202 3.322 5 40 GGBB CC[C@@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100628124 YTRHYUONMMQKRB-CQSZACIVSA-N 393.491 3.162 5 40 GGBB aggregator O=C1[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc2ccccc2c1 101012321 PYDDQXICUXKDFK-MJGOQNOKSA-N 387.351 3.041 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1C 25790012 DDJIYZZIRSJDGK-UHFFFAOYSA-N 385.420 3.053 5 40 GGBB CCCCCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6595032 MXLSOQHKWBLHAA-UHFFFAOYSA-N 398.916 3.352 5 40 GGBB COCCCN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 409232957 TXZCHTHDIGSDFD-FOWTUZBSSA-N 387.417 3.458 5 40 GGBB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 15638772 BXMCRJKNGVCUDM-HNNXBMFYSA-N 383.404 3.064 5 40 GGBB O=C(CN(Cc1ccco1)C(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1 21711389 REQLFFLQTMHWOM-UHFFFAOYSA-N 379.372 3.469 5 40 GGBB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 32978713 ZSYZMBGPEQQTAD-MRXNPFEDSA-N 382.464 3.146 5 40 GGBB CC[N+]1(C)CC[C@@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)C1 1628526 GLOWQWBIEALYCU-AZIDCLHTSA-N 384.496 3.261 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)o1 6054809 GKSRRRKNEFGBJM-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(O)c(C(=O)O)c2)CC1 20142842 VSGXKAIGKKOXMG-UHFFFAOYSA-N 399.403 3.487 5 40 GGBB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] 6883423 LIYRQIDNCUYPLB-UHFFFAOYSA-N 399.186 3.462 5 40 GGBB COC(=O)[C@@H]1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc21 95443173 NAVSPEPSZGYVBQ-MRXNPFEDSA-N 394.387 3.312 5 40 GGBB O=C(CCc1ccco1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25378365 RVIFAZVTUJBDET-UHFFFAOYSA-N 397.353 3.488 5 40 GGBB COc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1 408527775 HUWXRRDKIYGEIZ-UHFFFAOYSA-N 396.315 3.188 5 40 GGBB CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)CC 222395044 ANKRRAARBWOXLK-UHFFFAOYSA-N 377.422 3.023 5 40 GGBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 5786082 RASNFXKKZCYGDY-OAHLLOKOSA-N 388.807 3.340 5 40 GGBB CCOC(=O)C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 950601 TUERQQJYVAJYGW-SFHVURJKSA-N 391.387 3.176 5 40 GGBB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2)N1C(C)=O 4046633 KESMRDQTEMEIAJ-AZUAARDMSA-N 393.399 3.112 5 40 GGBB biogenic COc1ccc(NC(=O)COc2ccc(Br)cc2)c([N+](=O)[O-])c1 4699013 CQBPWYQAMIOWHX-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB CC[C@@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 409004507 XJTZSJHAKRTZAV-BEFAXECRSA-N 399.447 3.347 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl 222496840 LCLKDPVKTPCJKS-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB C[C@@H]1CCC2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)[C@H]2C1 245295979 HYTMHLQACCRLDO-AKWBHNSASA-N 385.342 3.023 5 40 GGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 5842380 FOZLSQGUZJUHDZ-UHFFFAOYSA-N 386.433 3.316 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(CN2CCCCC2)cc1 15357112 MJNDVOXSOPZNJG-UHFFFAOYSA-N 389.477 3.059 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 19931716 ZAMYPSQLODOURR-UHFFFAOYSA-N 389.433 3.139 5 40 GGBB C[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 8401345 WVTXMIZOTYKBNM-VIFPVBQESA-N 375.328 3.456 5 40 GGBB COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2S(=O)(=O)N(C)C 13723454 JLPVWKUIEHMWGB-UHFFFAOYSA-N 384.461 3.018 5 40 GGBB Nc1c(C(=O)Nc2ccc(Br)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 4599879 FPPAEVGHPQTYHH-UHFFFAOYSA-N 381.142 3.100 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 4855190 WSVQMTYWBXWQKN-QGZVFWFLSA-N 382.445 3.335 5 40 GGBB O=C(NCCc1csc2nc(-c3cccs3)nn12)c1cccc([N+](=O)[O-])c1 5166157 WRQVESJRIYKJDE-UHFFFAOYSA-N 399.457 3.400 5 40 GGBB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 6206354 XSJCFKKMKYHCAR-UHFFFAOYSA-N 379.394 3.272 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 71858481 YTHWABHCICCNHA-JTQLQIEISA-N 377.759 3.379 5 40 GGBB CC[C@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@@H](C)O 89949222 COUVHWMTKHUUIE-OCCSQVGLSA-N 378.860 3.078 5 40 GGBB O=C(c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1)N1CCCCC1 3111360 RTJDHIDURKPNIT-UHFFFAOYSA-N 379.372 3.022 5 40 GGBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ncc(C(F)(F)F)cc2Cl)cc1 24527630 UKEKRUWTNRFOOU-QWHCGFSZSA-N 391.733 3.168 5 40 GGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6296368 ZBXXTEQNPYXYPZ-UHFFFAOYSA-N 377.736 3.213 5 40 GGBB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12870941 CHVLFSARNGEDCP-GMMCIKNFSA-N 388.445 3.231 5 40 GGBB C[N+](C)(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1 3617100 UPCHZPMUOIOAFQ-UHFFFAOYSA-N 391.499 3.375 5 40 GGBB CCc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408645453 UUPSTBXWTXHEAD-AWEZNQCLSA-N 383.404 3.157 5 40 GGBB O=C1C(=O)N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc([N+](=O)[O-])cc21 4568404 OTCBDPPKKVCMSN-UHFFFAOYSA-N 379.250 3.375 5 40 GGBB Cc1ccccc1C(=O)N1CCC(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 5572191 HNZIXDFZQHDUQP-UHFFFAOYSA-N 382.416 3.499 5 40 GGBB COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] 102621041 SIXSDQDRYMKEPA-FUHWJXTLSA-N 381.432 3.360 5 40 GGBB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 5113309 IRIZFLHRYNAHFA-UKYUDJEDSA-N 382.416 3.289 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1 7079763 YAOPRAXFWRGOIE-SFHVURJKSA-N 384.388 3.124 5 40 GGBB COc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(s2)CCC3)c([N+](=O)[O-])c1 7257671 UIDJLIAMGSUKPS-SNVBAGLBSA-N 390.417 3.338 5 40 GGBB O=[N+]([O-])c1ccc(Sc2nnc(NC[C@H]3CCCO3)s2)c([N+](=O)[O-])c1 15140902 SVGCUQPFUNGZAE-SECBINFHSA-N 383.411 3.097 5 40 GGBB O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc2c(nc3sccn32)s1 33179868 IMOVAOLIGNAZOG-UHFFFAOYSA-N 387.446 3.361 5 40 GGBB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4901179 KQUJBYZITQOIMO-UHFFFAOYSA-N 395.337 3.456 5 40 GGBB Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 5075913 VFFDEGCWBZTNDK-UHFFFAOYSA-N 389.433 3.004 5 40 GGBB CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 6822469 ULOAPUMIOAMKFR-HUUCEWRRSA-N 381.498 3.298 5 40 GGBB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 6829205 PPFPMKPESUIUAR-UHFFFAOYSA-N 384.436 3.379 5 40 GGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc2cccnc12 8269784 YDAOKXPXOYSWDR-UHFFFAOYSA-N 392.371 3.470 5 40 GGBB CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 9067672 HYAVMLAENHHWDP-SFHVURJKSA-N 380.404 3.478 5 40 GGBB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 12651676 VWOATUHOIAJERM-QEORTHHSSA-N 378.425 3.338 5 40 GGBB COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 12943500 PARYCRVWEWRDRZ-OAHLLOKOSA-N 384.388 3.352 5 40 GGBB C[C@@H](Sc1nc2c3ccccc3ncn2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 14162620 CSPDOPAKXVJDBX-LLVKDONJSA-N 394.416 3.305 5 40 GGBB CCOc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 19005557 DAOFSXLVMYSRHN-UHFFFAOYSA-N 396.403 3.044 5 40 GGBB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)cc1[N+](=O)[O-] 69476453 SFDAQXBIKWKBHD-UHFFFAOYSA-N 387.783 3.480 5 40 GGBB CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 409136275 SEDOQTZQPYTLNT-UHFFFAOYSA-N 397.460 3.282 5 40 GGBB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2625664 RZFJZVMQKLLBHV-LBPRGKRZSA-N 399.432 3.303 5 40 GGBB O=[N+]([O-])c1cccc(-c2nnc3n2CN(c2cccc([N+](=O)[O-])c2)CS3)c1 4235189 QWXXDAHSLKVECP-UHFFFAOYSA-N 384.377 3.289 5 40 GGBB biogenic C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 52754367 NEXSDFQAJSEHFM-SNVBAGLBSA-N 382.825 3.143 5 40 GGBB C[C@H](OCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1 95428028 ZZVNETZYAPVKHI-INIZCTEOSA-N 392.477 3.225 5 40 GGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1Br 4040804 CUHYIKFWCIAPML-UHFFFAOYSA-N 396.153 3.283 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cc(C)ccc2C)CC1=O 7929514 ADTZUPOFTVTNHH-AWEZNQCLSA-N 384.388 3.179 5 40 GGBB Cc1cccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 8413259 WWMLBNGXIHAUKO-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 12885705 OELKVATVGOQBMC-GZKZCVOOSA-N 379.416 3.485 5 40 GGBB CN1C(=O)c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2C1=O 8991034 FQFSEDFUYAAVDH-UHFFFAOYSA-N 393.399 3.271 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 5900046 WFHINCDNOYCLKF-UHFFFAOYSA-N 375.450 3.320 5 40 GGBB CC[N+](C)(CC)CCOC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 5469323 KIVHPUOHOJDFDG-UHFFFAOYSA-N 380.468 3.029 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)CC1=O 408643777 RVZCQWDYJISIGZ-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1ccn[nH]1 40399049 IVUSUAQGMHMBNH-UHFFFAOYSA-N 375.432 3.319 5 40 GGBB O=C(NCc1ccco1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 811377 STOWUFDQHXXKKB-CPNJWEJPSA-N 391.383 3.275 5 40 GGBB Cc1c(C(=O)NC[C@@H]2CCCO2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931108 VBHNDRFBEAAJAN-AWEZNQCLSA-N 386.433 3.188 5 40 GGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F 3383784 ICLCTEIIAPWIFM-UHFFFAOYSA-N 397.156 3.292 5 40 GGBB C[C@H](C(=O)Nc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57891823 NBLZMUNRTQFDDT-CQSZACIVSA-N 388.855 3.397 5 40 GGBB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1[N+](=O)[O-] 11342189 VYXGWMXDVAXMDD-NEPJUHHUSA-N 390.367 3.165 5 40 GGBB CCc1ccccc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12790485 JEMCAKAAXSNKCW-UHFFFAOYSA-N 385.420 3.094 5 40 GGBB CCOC(=O)c1cc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)ccc1Cl 20453909 FKFLUZFDBFORGQ-UHFFFAOYSA-N 398.824 3.367 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1-n1ccc2nc3ncnn3c(-c3ccccc3)c2c1=O 22607906 YSGPJXPOJWFVDN-UHFFFAOYSA-N 398.382 3.312 5 40 GGBB NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(Cl)cc1Cl 5896295 SEVUQMTWDJPFBS-UHFFFAOYSA-N 376.221 3.161 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc(N2CCCC2=O)cc1 16144247 SNCSGIGJFZSNOB-OAHLLOKOSA-N 397.431 3.320 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 40093715 ULLGVDRNPTXIBB-BXUZGUMPSA-N 380.422 3.141 5 40 GGBB O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccccc1 4355838 BIDFOLMJNMHEIR-UHFFFAOYSA-N 380.429 3.460 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(Cl)cc1 6225681 NJDUUQRRGXLRNI-UHFFFAOYSA-N 397.840 3.013 5 40 GGBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(F)c(C(=O)O)c2)cc1[N+](=O)[O-] 12770828 GLMBOBDBMPDRGW-UHFFFAOYSA-N 388.760 3.195 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCCN(Cc3ccccc3)CC2)c1C 12992363 HEBCMTNLHVMGSX-UHFFFAOYSA-N 396.491 3.358 5 40 GGBB COc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] 6647218 AAJJGGPJHUHYPW-UHFFFAOYSA-N 389.477 3.032 5 40 GGBB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] 9156036 LPCHAMIIUOFQKK-CQSZACIVSA-N 393.440 3.415 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccco2)CC1 9355827 RKMYAOBWNZNAKM-UHFFFAOYSA-N 377.784 3.332 5 40 GGBB O=C(Nc1ccccc1N1CCCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 28008194 BGBYGPQODZTATP-UHFFFAOYSA-N 396.447 3.284 5 40 GGBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1O 409411556 JBSIPWMWGPHCTA-UHFFFAOYSA-N 399.432 3.310 5 40 GGBB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 409051751 GATHOWUDCZTZHK-UHFFFAOYSA-N 383.404 3.094 5 40 GGBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc2c(c1)OCCO2 32777309 HDSVXCXQCLQPJN-UHFFFAOYSA-N 387.373 3.238 5 40 GGBB O=C(N/C(=C\c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 2707042 DEPZODZJENEUMX-CYVLTUHYSA-N 379.416 3.378 5 40 GGBB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 1467353 FADNSWIRSAZJLU-GOSISDBHSA-N 390.403 3.422 5 40 GGBB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 3383700 GURDOESBTHXZPE-UHFFFAOYSA-N 393.193 3.461 5 40 GGBB COc1ccc(Cl)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4896936 LTPSHAHAWTWSSZ-UHFFFAOYSA-N 391.811 3.346 5 40 GGBB CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccc(OC)cc1 2338979 LPGZJAVVYWLMOH-UHFFFAOYSA-N 389.455 3.258 5 40 GGBB O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccco1 4770808 IKDZAFLXXQTVPW-OAQYLSRUSA-N 392.367 3.195 5 40 GGBB CCOC(=O)CN(CCOC)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 95443204 SOEOGSXTAZADOI-UHFFFAOYSA-N 384.738 3.283 5 40 GGBB Cc1cccc(C(=O)NCCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 8980782 PRWAADCHMDUXPI-UHFFFAOYSA-N 389.839 3.335 5 40 GGBB COc1ccc(Cn2ccc3nc4ccn(C(C)C)c(=O)c4cc3c2=O)cc1 40398791 JNUZDTSQGJBQTK-UHFFFAOYSA-N 375.428 3.349 5 40 GGBB Cc1cc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)c2ccccc2n1 2629681 UNAKPCINQHIKMN-UHFFFAOYSA-N 383.335 3.386 5 40 GGBB Nc1ccccc1[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 6276947 LXCBBBJYUAEZPT-IBGZPJMESA-N 383.429 3.245 5 40 GGBB Cc1ccc(C)c(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 8416337 DMXZXDINOZCBSW-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 19314784 HUEFHTVBOJFHSB-GOSISDBHSA-N 388.420 3.344 5 40 GGBB COc1cc(C(=O)NCc2cc3ccccc3[nH]2)c([N+](=O)[O-])c(OC)c1OC 58115463 NZMOXODFNXHJCK-UHFFFAOYSA-N 385.376 3.032 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 10665379 XRPUPYRWHRFKJV-UHFFFAOYSA-N 393.739 3.260 5 40 GGBB Cc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CC(C)C)cc1[N+](=O)[O-] 6567066 LCQUMABKMJVHAU-UHFFFAOYSA-N 399.451 3.082 5 40 GGBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OC 409235076 AFWVSHJAUBFWFV-OVCLIPMQSA-N 397.387 3.013 5 40 GGBB CCOc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OCC 223701690 IQMJHMMGXFOXEA-UHFFFAOYSA-N 394.449 3.179 5 40 GGBB CCOc1ccccc1CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 13669821 VOIQRXMWCMWBSI-UHFFFAOYSA-N 378.450 3.213 5 40 GGBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1O[C@H](C)CC 15009320 RPTSTMJEGACHCP-MXMFLMJRSA-N 375.381 3.130 5 40 GGBB C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccccc1[N+](=O)[O-] 5078704 XOONISWNQPOLLQ-LLVKDONJSA-N 376.390 3.190 5 40 GGBB Cc1cc(=O)c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)nn1-c1ccccc1[N+](=O)[O-] 21901819 OUNGPDSVPGKXAD-HOTGVXAUSA-N 396.447 3.244 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 6611401 XCLQLHCZRPEYJI-GASCZTMLSA-N 391.468 3.102 5 40 GGBB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20410875 GDEBOSLAEYYVAN-UHFFFAOYSA-N 391.811 3.102 5 40 GGBB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1cc([N+](=O)[O-])ccc1Cl 71979939 GXEAOBYVVFTIAU-FBUIMKQZSA-N 382.800 3.080 5 40 GGBB CCOc1ccccc1-n1nnnc1SCCOc1ccccc1[N+](=O)[O-] 48340844 HSMIHJSVHDWKCO-UHFFFAOYSA-N 387.421 3.140 5 40 GGBB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1[N+](=O)[O-] 10448526 LFIGDGNGELZARC-INIZCTEOSA-N 377.828 3.290 5 40 GGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2C)cc1 8638368 WIQMLPJWJWKDSH-CQSZACIVSA-N 396.403 3.007 5 40 GGBB COc1ccccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 8748723 WJFDATRGEKZLEV-UHFFFAOYSA-N 394.387 3.458 5 40 GGBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1nc(-c2cccs2)no1 218053660 RFBQGPAOWMQKTQ-UHFFFAOYSA-N 390.446 3.256 5 40 GGBB COc1ccccc1N1C[C@@](O)(c2cccc([N+](=O)[O-])c2)[N+]2=C1CCCCC2 2974499 ZPSPSTBFHPBLGC-OAQYLSRUSA-N 382.440 3.254 5 40 GGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1(c2ccccc2)CCC1 32869611 KKBQQAIBELOZJT-UHFFFAOYSA-N 376.434 3.004 5 40 GGBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)[nH]2)c1 7342088 UMZIXGRQZSDEOF-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(OC(F)F)cc1 3535581 DEEZHMMZHXKXIR-UHFFFAOYSA-N 393.375 3.461 5 40 GGBB O=C(CSc1nc(CC2CCCC2)n[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] 8752510 OQEJUJSOECALRQ-UHFFFAOYSA-N 379.417 3.316 5 40 GGBB Cc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 12865158 XQCCSQNNEIACFT-OAHLLOKOSA-N 394.435 3.115 5 40 GGBB O=C(NC1CCCC1)c1ccccc1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 32722129 NUZONUSIFONUBI-UHFFFAOYSA-N 397.387 3.248 5 40 GGBB CN(CC(=O)Nc1ccccc1Br)C(=O)c1cccc([N+](=O)[O-])c1 3174398 ZHWMGDBSZTXXSF-UHFFFAOYSA-N 392.209 3.068 5 40 GGBB Cc1ccc(-n2ncc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)c(C)c1 4479292 YMAATXCINRYMBB-UHFFFAOYSA-N 375.388 3.156 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 5127317 BDVYKHVASVEBCN-UHFFFAOYSA-N 388.420 3.302 5 40 GGBB CN(C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CCCCC1 12090556 JEIJGVYILIPZRI-UHFFFAOYSA-N 399.241 3.305 5 40 GGBB COc1ccccc1OCCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 12536437 OLYBUMSBSSWUMK-UHFFFAOYSA-N 385.420 3.012 5 40 GGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 12819106 NPAPLURSFNNWML-UHFFFAOYSA-N 382.416 3.461 5 40 GGBB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 223985426 HLHVWYXVIUWDFC-UHFFFAOYSA-N 378.450 3.250 5 40 GGBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(C)(=O)=O)cc1 52754366 NEXSDFQAJSEHFM-JTQLQIEISA-N 382.825 3.143 5 40 GGBB O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cn3)s2)nc1 1870338 NVTWRCHXWHEKOB-UHFFFAOYSA-N 394.419 3.447 5 40 GGBB CCn1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 9358113 FDZGUTWZKYWEFA-UHFFFAOYSA-N 397.416 3.313 5 40 GGBB O=Cc1ccc(SC(=S)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 13574662 WRVCMENZBGLJHW-UHFFFAOYSA-N 376.415 3.303 5 40 GGBB CCOc1cc(NC(=O)[C@@H](CC)n2cc([N+](=O)[O-])cn2)ccc1OC(F)F 2805324 YAZVOYMADSTTEX-GFCCVEGCSA-N 384.339 3.381 5 40 GGBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 6238768 MLOYIVJCXKYBGS-UHFFFAOYSA-N 396.447 3.152 5 40 GGBB CCOc1cc2c(cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-])O[C@H](C)C2 11453591 SFTJRNPRSAJQKB-LLVKDONJSA-N 390.367 3.474 5 40 GGBB CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 4105444 LSGGPPDGVSZCHX-LLVKDONJSA-N 378.208 3.096 5 40 GGBB COc1ccc(Nc2nc(N(C)Cc3ccccc3)nc(N)c2[N+](=O)[O-])cc1 5053675 NRTTWLNGRLTDAK-UHFFFAOYSA-N 380.408 3.356 5 40 GGBB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 5325084 UAXZXPBAPPYGCG-UHFFFAOYSA-N 384.388 3.290 5 40 GGBB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn12 20609589 HTMPWQKCKRGSMZ-UHFFFAOYSA-N 380.389 3.322 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1Cl 8080219 YGFISQSTOIBUFZ-UHFFFAOYSA-N 398.824 3.061 5 40 GGBB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(Br)c([N+](=O)[O-])c1 89919287 VVFLURVYGIEGDJ-ZBEGNZNMSA-N 399.241 3.209 5 40 GGBB CCn1c(=O)sc2cc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc21 225092051 MNGNAJAWONHVFS-UHFFFAOYSA-N 393.446 3.100 5 40 GGBB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224633808 GWSBEVWKZMIHDL-INIZCTEOSA-N 383.448 3.081 5 40 GGBB Cc1cccc2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc12 5181486 RCPFQQWFFDHZEP-UHFFFAOYSA-N 382.445 3.475 5 40 GGBB Cc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2CC(N)=O 1069655 VJZRLAWGXDMHRR-NRFANRHFSA-N 379.416 3.288 5 40 GGBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2796754 UYDLUUXRPMUYAP-UHFFFAOYSA-N 381.179 3.053 5 40 GGBB COc1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1OC 4072324 GKEDQDQDUAQTRH-UHFFFAOYSA-N 386.389 3.383 5 40 GGBB COc1ccc(Cc2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 4586128 DKWWDKQTBCTMHP-UHFFFAOYSA-N 381.417 3.144 5 40 GGBB Cc1cc(OC[C@@H](O)CN(C)C(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 4700810 POGRXKAFXCHONL-HNNXBMFYSA-N 378.812 3.069 5 40 GGBB CC1CCN(c2ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)cc2[N+](=O)[O-])CC1 6542875 IJDCPYSKPLAKLW-HNNXBMFYSA-N 391.468 3.149 5 40 GGBB CCn1c(=O)n(CCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c2ccccc21 12767530 GCKGWFBKCITYHP-HNNXBMFYSA-N 396.447 3.341 5 40 GGBB CCCCN(C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-])c1cccc(I)c1 84744409 VSLABSPYEUKNPL-OLZOCXBDSA-N 388.205 3.090 5 40 GGBB CCOc1cc2c(cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-])O[C@@H](C)C2 11453594 SFTJRNPRSAJQKB-NSHDSACASA-N 390.367 3.474 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 21125897 WDZZLVOTGMKQON-UHFFFAOYSA-N 377.378 3.384 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@]1(C)CC1(Cl)Cl 3465583 XXJZPUWPNBNUFA-CLAHSXSESA-N 391.207 3.058 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H](O)c3ccccc32)c1C 96012552 BONFGSCGDWCJKG-KRWDZBQOSA-N 376.434 3.234 5 40 GGBB COc1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 409135751 ZVFLSWCEAHUHQD-UHFFFAOYSA-N 399.432 3.130 5 40 GGBB Cc1ccc(C)c(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 5054833 SMMKCBUCAPUHQH-UHFFFAOYSA-N 393.399 3.254 5 40 GGBB O=C(Nc1ccc(F)c(F)c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270733 VIRBOIOWXFGUEB-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB O=C(Nc1ccc(F)c(F)c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187953 VIFSMRPJWZWNFP-UHFFFAOYSA-N 385.326 3.335 5 40 GGBB CCCCOc1ccc(-c2nnn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 4973944 VUMGEWVLBFCZER-UHFFFAOYSA-N 396.407 3.066 5 40 GGBB O=[N+]([O-])c1cc(Cl)cc(S(=O)c2cc(Cl)cc([N+](=O)[O-])c2O)c1O 3145108 FNLGNHDQCCTORU-UHFFFAOYSA-N 393.160 3.388 5 40 GGBB O=C(COC(=O)COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1Cl 3237813 TZASRKQHCYPCOX-UHFFFAOYSA-N 399.186 3.462 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCCO3)cc([N+](=O)[O-])c1 11725369 RGMGXLMFZZCIIY-UHFFFAOYSA-N 386.360 3.185 5 40 GGBB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1[N+](=O)[O-] 408637795 ADGBQZUEONUEPD-CYBMUJFWSA-N 398.375 3.111 5 40 GGBB CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 217890370 ORHIDCMAKSVRDM-NUCSPZLJSA-N 388.445 3.279 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 102095429 RSXZYHOVVQMHMD-UHFFFAOYSA-N 396.699 3.326 5 40 GGBB CCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c(c(=O)c3ccccc3n2C)c1=O 5450992 QYTOGTFBZLAPEZ-UHFFFAOYSA-N 390.399 3.234 5 40 GGBB COc1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)c([N+](=O)[O-])c1 5943324 OSPLWQDRJOOPHC-UHFFFAOYSA-N 399.432 3.223 5 40 GGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 4262985 OCWVWOTYTIMCRZ-SFHVURJKSA-N 396.403 3.260 5 40 GGBB COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c([N+](=O)[O-])c1 32797397 GWECAGULDHMXTF-ZDUSSCGKSA-N 398.419 3.169 5 40 GGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(-c2ccc[nH]2)cs1 12526652 BUXVUJJYIAKKKN-UHFFFAOYSA-N 387.421 3.357 5 40 GGBB CC(C)c1ccc(C(=O)N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1 29525841 HGLQAIIEJHIMGU-UHFFFAOYSA-N 393.447 3.328 5 40 GGBB Cc1ccc(C)n1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 58153993 GSDZSIZIIKRVEG-UHFFFAOYSA-N 377.466 3.258 5 40 GGBB CCN1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)Oc2ccccc21 7257343 XBTFSSTYEVMCCS-MRXNPFEDSA-N 398.463 3.020 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9547786 GAVJZOPCSSTTKV-WMLDXEAASA-N 389.820 3.457 5 40 GGBB Cc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 8506236 OYFKSQXDLFNTNZ-UHFFFAOYSA-N 389.839 3.284 5 40 GGBB Cc1cccc(CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)c1 409232583 RLBCGWAHMHEHOD-VGOFMYFVSA-N 387.779 3.355 5 40 GGBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)c([N+](=O)[O-])c1 5021206 GCSRJNBORSCCRO-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](C(F)(F)F)C1 16591614 FXAMDOVJVBRSEN-GHMZBOCLSA-N 375.347 3.205 5 40 GGBB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 53541505 QRRAJTFWIVVITQ-MRXNPFEDSA-N 385.420 3.056 5 40 GGBB CCOc1ccc(N2C[C@@](O)(c3cccc([N+](=O)[O-])c3)[N+]3=C2CCCC3)cc1 2966396 LYAIXYBHUWWBLQ-OAQYLSRUSA-N 382.440 3.254 5 40 GGBB CCOc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 8737838 NFVXLHJYXFZJIL-UHFFFAOYSA-N 379.419 3.404 5 40 GGBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@H]1c1ccccc1 100870321 VPJQCYDGMQGVPP-MRXNPFEDSA-N 383.429 3.088 5 40 GGBB Cc1nn(Cc2nnc(-c3ccccc3Br)o2)c(C)c1[N+](=O)[O-] 2651941 MHZVWYFBIMIOFL-UHFFFAOYSA-N 378.186 3.269 5 40 GGBB Cc1c(NC(=O)CN2CCC[C@H](C(=O)Nc3ccccc3)C2)cccc1[N+](=O)[O-] 12879881 YJJAVAXPKFESPM-INIZCTEOSA-N 396.447 3.192 5 40 GGBB C[C@H]1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 5529675 ZCGGXSVCMXSGLZ-BLLLJJGKSA-N 378.392 3.232 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)/C=C/c1ccc(F)cc1 5781918 CXRFOZWEGIPAGX-DJTWPOEFSA-N 388.351 3.326 5 40 GGBB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3ccc([N+](=O)[O-])cc3)n2)cc1F 15674320 DZSORGHXWREIMJ-AEFFLSMTSA-N 398.394 3.400 5 40 GGBB biogenic,in-vitro CC(C)OC(=O)C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1[N+](=O)[O-] 10737642 VVUUNCQECGCVDN-INIZCTEOSA-N 396.403 3.284 5 40 GGBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1 2463274 BRBTWTAMGKUGRC-IAQYHMDHSA-N 389.433 3.195 5 40 GGBB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 13020474 LJAQYLUGPLTTMO-CYBMUJFWSA-N 376.434 3.140 5 40 GGBB CC1CCN(c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2[N+](=O)[O-])CC1 13608721 JOZKXIPTQOZLTL-UHFFFAOYSA-N 395.419 3.253 5 40 GGBB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccccc4[N+](=O)[O-])sc3nc12 6861299 CYPFKAXMXOSJTQ-UHFFFAOYSA-N 380.385 3.378 5 40 GGBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 592696541 XTMXFMSXCRTBHX-HNNXBMFYSA-N 399.304 3.222 5 40 GGBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cccc([N+](=O)[O-])c3C)ccc21 16750543 XINDLSQSTDTKJB-CYBMUJFWSA-N 396.399 3.240 5 40 GGBB O=[N+]([O-])c1ccc(Sc2nnc(N3CCOCC3)n2C2CC2)c(Cl)c1 23043255 JEZSWLSTGROYKE-UHFFFAOYSA-N 381.845 3.162 5 40 GGBB CNc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 12808719 NFSTXARXFSIJOW-KBPBESRZSA-N 397.431 3.117 5 40 GGBB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 6887289 GZVLEKJCRAUAKZ-SFHVURJKSA-N 391.330 3.163 5 40 GGBB Cc1cc(/C=C/C(=O)O)cc(C)c1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 256054029 URMWIUDKFXRUFV-BQYQJAHWSA-N 377.374 3.077 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c1 24542714 HLLFPSOIMKMSJY-INIZCTEOSA-N 398.415 3.417 5 40 GGBB O=C(O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 6615182 FNTVQHQOEANVRL-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB COc1ccc2c(COC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc(=O)oc2c1 6762127 IKJGINMZJHNVHL-UHFFFAOYSA-N 385.328 3.075 5 40 GGBB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OCC 10543967 ILDHLRSLVOYTAO-CYBMUJFWSA-N 394.449 3.432 5 40 GGBB COc1ccccc1N1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 48297763 UDWUYINFCOXRMO-UHFFFAOYSA-N 380.404 3.047 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1ccc2c(c1)OCCO2 3306274 SOJXFSXYXCXWOX-LLVKDONJSA-N 390.417 3.494 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)cc(=O)[nH]1 4625160 GVMKUDMLYMXOOK-UHFFFAOYSA-N 396.428 3.384 5 40 GGBB C[C@](O)(/C=C1/Oc2ccc([N+](=O)[O-])cc2[C@@H]1N1CCOCC1)[C@@H]1C[C@H]2C=C[C@H]1C2 100088412 PSHLMLNENHNYFX-XHQLYNDTSA-N 398.459 3.208 5 40 GGBB Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Br)cc3)[n+]2[O-])c1 4821927 YUAHOGCFGNUWBG-UHFFFAOYSA-N 390.197 3.228 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br)C31CC1 6220277 FFAHMWNZQNAWQE-IOQCUFBNSA-N 389.205 3.059 5 40 GGBB CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)n1 9155393 WBKTXXNSBQZSNX-SNVBAGLBSA-N 395.462 3.276 5 40 GGBB CC(C)c1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 22390015 ZVXPPYHPEXSTJY-UHFFFAOYSA-N 391.449 3.123 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c1C 102874024 QBZKHGOTLDCKQU-KBPBESRZSA-N 388.420 3.089 5 40 GGBB CCCC[C@H](C(=O)Nc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 5597351 OGVUVMNULLGJOH-MRXNPFEDSA-N 381.388 3.388 5 40 GGBB O=C(CCc1c[nH]c2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4901056 NKNBNOMQZTZVMW-UHFFFAOYSA-N 378.432 3.358 5 40 GGBB COCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 8828370 LCNOLXJXYLIOOG-UHFFFAOYSA-N 394.347 3.109 5 40 GGBB O=C(NN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccc([N+](=O)[O-])cc1 408758225 HRDIRKJUOIYHRP-WQLSENKSSA-N 375.387 3.038 5 40 GGBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@@H]1CC(=O)N(C2CCCCC2)C1 35655421 UYTYDLWGXKLKRM-LLVKDONJSA-N 388.449 3.324 5 40 GGBB CN(C)C(=O)Nc1cccc(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 95401210 NIWWIXYEECGWME-UHFFFAOYSA-N 376.800 3.272 5 40 GGBB CNc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 35426138 APWNHJWSEBXWCL-INIZCTEOSA-N 380.408 3.419 5 40 GGBB biogenic,in-vitro CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 217943816 KSRMMHNIWASLOD-MRXNPFEDSA-N 376.434 3.188 5 40 GGBB COc1ccccc1C(=O)COC(=O)c1ccc(Br)c([N+](=O)[O-])c1 5536171 IAIGXQJXBMQOQB-UHFFFAOYSA-N 394.177 3.406 5 40 GGBB C[C@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N(C)Cc1ccccc1 5656288 QGSRMUUWMIMAEZ-LBPRGKRZSA-N 376.796 3.452 5 40 GGBB NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 40083042 XSHAWZTYALFXQM-NSHDSACASA-N 383.433 3.082 5 40 GGBB CCn1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 4996678 RLERBBQCLUPEIV-GFCCVEGCSA-N 398.448 3.388 5 40 GGBB COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 58161066 SBQOFMPTVIZECN-UHFFFAOYSA-N 376.312 3.423 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 20529029 NYPFJCLFOJRGRK-UHFFFAOYSA-N 375.337 3.146 5 40 GGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1NC(C)=O 223788245 ZSUZURVMNMEWLL-UHFFFAOYSA-N 399.812 3.016 5 40 GGBB O=C(CSc1nc2sccc2c(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 16543457 DILVQGYAHCJAHN-UHFFFAOYSA-N 396.837 3.277 5 40 GGBB O=C(NCc1ccco1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1cccs1 4832123 PHSLQZMFMKKTJP-LFIBNONCSA-N 397.412 3.337 5 40 GGBB COc1c2c(cc3c1[C@H](CC(=O)c1ccc([N+](=O)[O-])cc1)N(C)CC3)OCO2 20112927 ZDKJSVJFPLVQLX-HNNXBMFYSA-N 384.388 3.134 5 40 GGBB biogenic O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl)N1CC(O)=Nc2ccccc21 2270547 ZUBUVQVXKWHRPE-UHFFFAOYSA-N 376.712 3.405 5 40 GGBB CC1CCN(c2ccc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 8170133 SDUKWINEHAJNQD-UHFFFAOYSA-N 396.447 3.200 5 40 GGBB CC[C@@H](C)N1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409015359 RRAYOOVTOSTPCR-COOUDCDJSA-N 391.449 3.266 5 40 GGBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccccc1Br 34931797 ALNXHEQSAOJZDW-UHFFFAOYSA-N 396.222 3.190 5 40 GGBB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)o1 226352841 FZTGANYGLSGBCM-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1 223841325 GFAAIOCFDDXQGV-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 5378161 ZHEBHXUMNWAOAF-IEBWSBKVSA-N 379.372 3.023 5 40 GGBB O=C(/C=C\c1ccc(Cl)cc1)N[C@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1=O 5664446 VCMOZQACUJPBAC-XOYTVWKISA-N 384.779 3.101 5 40 GGBB O=C(CN1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 724202 YDRINQAECFDOGY-KRWDZBQOSA-N 393.321 3.247 5 40 GGBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2404061 BUUDTUDKWXKGRK-UONOGXRCSA-N 377.448 3.444 5 40 GGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Br)o1 12651528 AYUREHZNAQCTBS-UHFFFAOYSA-N 396.197 3.039 5 40 GGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CC(=O)N(c2ccccc2)C1 58008389 AGDOTVYTXOCMAF-RCQQVGEISA-N 385.807 3.183 5 40 GGBB CSc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408566854 PNRLTRDFEJRDKO-JTJHWIPRSA-N 395.484 3.463 5 40 GGBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)n1-c1ccccc1 408572703 RVDBXDAXIOLZET-QGZVFWFLSA-N 384.417 3.415 5 40 GGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 408621781 NXALOXQPCGYSKU-UHFFFAOYSA-N 393.808 3.146 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 10544178 OZWLAMLALGUYEA-OAHLLOKOSA-N 376.434 3.484 5 40 GGBB O=[N+]([O-])c1ccc2c(c1)[C@@H]([n+]1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 105347465 XWPQDYQNDPQOMZ-GOSISDBHSA-N 379.308 3.317 5 40 GGBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cccc([N+](=O)[O-])c1 12879294 PZNSNUYBWLFURS-UHFFFAOYSA-N 384.417 3.293 5 40 GGBB CCCOc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 4549581 NDQJZHNPRICHHZ-UHFFFAOYSA-N 388.376 3.188 5 40 GGBB Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1 5899150 WIYYRUFQYWDBPV-UHFFFAOYSA-N 376.416 3.414 5 40 GGBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H](C)CC(=O)c1ccccc1 84086289 LFBYFWOCOUBKQI-AWEZNQCLSA-N 376.434 3.151 5 40 GGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 30530436 GXGNAUJTKWRZCK-UHFFFAOYSA-N 393.396 3.192 5 40 GGBB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 224771174 FDIRCTZEACYIGG-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB COc1cc(CNC(=O)c2ccccc2[N+](=O)[O-])ccc1OC[C@@H]1CCCO1 40106776 RATRELBWHBCTSV-HNNXBMFYSA-N 386.404 3.091 5 40 GGBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OC(C)=O 704509 MHKABLWFISYJPX-SXGWCWSVSA-N 396.355 3.263 5 40 GGBB CCOC(=O)N1CCN(c2cc(N3CCCC[C@@H]3C)c(F)cc2[N+](=O)[O-])CC1 4708588 RALWBYSJSZFQOD-AWEZNQCLSA-N 394.447 3.391 5 40 GGBB COc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 10218587 QGYKMYHXLISUTB-UHFFFAOYSA-N 392.433 3.104 5 40 GGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 28580716 AQHQSTHEGSUDDW-GFCCVEGCSA-N 391.786 3.375 5 40 GGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 12748281 PTCVSBPVSYCOHG-UHFFFAOYSA-N 396.399 3.101 5 40 GGBB CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 57014516 YRYLIYVRSKXWJC-UHFFFAOYSA-N 389.202 3.322 5 40 GGBB O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1C[C@H]1CCCO1 9118088 PVZISDJWMUWUAV-CWTRNNRKSA-N 397.387 3.069 5 40 GGBB CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 46914713 AMVSXUNJUVIMKS-LQWHRVPQSA-N 392.459 3.147 5 40 GGBB CC(C)c1c(C(=O)NCCNc2ccccc2[N+](=O)[O-])cnn1-c1ccccn1 40088842 SAQJUFXSFYIWHT-UHFFFAOYSA-N 394.435 3.141 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 5644383 OPFHVSPEHJGZNS-KRWDZBQOSA-N 382.372 3.366 5 40 GGBB CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nnc(C)s1 6600335 RJUQCDBMBVRUOD-UHFFFAOYSA-N 398.466 3.283 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2101102 QOKWICYVEWEJBG-UHFFFAOYSA-N 386.364 3.477 5 40 GGBB CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 2654114 SAVLTOVUNIKBCC-UHFFFAOYSA-N 394.387 3.269 5 40 GGBB CN1CCC(N(C)C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 58158894 YVDGYOLJMBOWGS-NRFANRHFSA-N 396.491 3.092 5 40 GGBB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 6861851 LIUSRNXMZOTNSZ-UHFFFAOYSA-N 375.400 3.005 5 40 GGBB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 17083843 NKOPRHOKPQXCEP-UHFFFAOYSA-N 396.384 3.265 5 40 GGBB O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1F 409064875 IPIGMIPLTPPUAI-OVCLIPMQSA-N 375.743 3.480 5 40 GGBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F 32931515 IUFNBJHNPJWEGH-UHFFFAOYSA-N 399.422 3.211 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2ccccc2nc1Cl 226821084 LZJLVBZWMTYVDK-UHFFFAOYSA-N 378.797 3.301 5 40 GGBB O=C(NC(=S)/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1 5769798 CROPFCUQKKYRJO-UHFFFAOYSA-N 390.471 3.329 5 40 GGBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 14082227 IWHHGCCLQRFNNC-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1 2058201 JJZKYQKBZPMUGZ-UHFFFAOYSA-N 390.783 3.119 5 40 GGBB C[C@@H]1Cc2ccccc2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 36697984 WPGBGFFIDFUVLO-CYBMUJFWSA-N 381.388 3.261 5 40 GGBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 222630220 PNAQKBXUYWWBLV-MRXNPFEDSA-N 397.475 3.469 5 40 GGBB O=C(O)c1ccc(-c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 226353786 FEFHFFBAUNIFOR-UHFFFAOYSA-N 388.357 3.354 5 40 GGBB O=C(CSc1nnc2ccc(-c3cccnc3)nn12)c1ccc([N+](=O)[O-])cc1 5168479 CHKFTUPBIQQCCM-UHFFFAOYSA-N 392.400 3.070 5 40 GGBB COc1ccc(-c2noc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 7721368 FFKKSBZAMAJKOY-UHFFFAOYSA-N 388.767 3.237 5 40 GGBB O=C(COC(=O)c1ccccc1Br)Nc1ccccc1[N+](=O)[O-] 5059306 OBCNJRXETOFMRG-UHFFFAOYSA-N 379.166 3.153 5 40 GGBB COc1ccc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC 5577247 HXKHXTUFIDNOEC-UHFFFAOYSA-N 398.375 3.233 5 40 GGBB Cc1cc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)n(C)n1 13614612 OJFWSIVOAIGXDV-UHFFFAOYSA-N 384.377 3.154 5 40 GGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2)CC1 57406065 MUDRWWPIALPQGU-AWEZNQCLSA-N 388.855 3.397 5 40 GGBB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 12870939 CHVLFSARNGEDCP-WEKMIXOTSA-N 388.445 3.231 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C 95429689 CXVGUGCBHUPCDP-UHFFFAOYSA-N 392.393 3.004 5 40 GGBB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C2 69209374 UFYIEKJQBYEGCH-IQVOZAENSA-N 387.480 3.376 5 40 GGBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1C[C@@H]2CCC[C@H](C1)C2=O 13095434 VTPMUJOXODFOAC-PBWFPOADSA-N 385.376 3.083 5 40 GGBB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 6084289 PGELEEIHIJHCHU-UHFFFAOYSA-N 381.841 3.088 5 40 GGBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 3502503 YXIKTVBSQAWRLA-UHFFFAOYSA-N 379.166 3.153 5 40 GGBB Cc1cc(O)ccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 3208142 QQUBRINVYOQKIP-UHFFFAOYSA-N 393.311 3.471 5 40 GGBB COc1ccc(Nc2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])cc1 4306104 MTBGNBMDRZGAMM-UHFFFAOYSA-N 380.408 3.374 5 40 GGBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(N2CCCC2=O)c1 14705412 DXDFFXJCGLXVBR-UHFFFAOYSA-N 389.795 3.393 5 40 GGBB Cc1nc2ccc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 8351578 YGWBVYDLPOXZSB-UHFFFAOYSA-N 384.417 3.272 5 40 GGBB CC(C)CC(=O)N1CCC(NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 48356128 VIVBLCWBCLRNQL-AWEZNQCLSA-N 393.509 3.229 5 40 GGBB CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 95081660 JSGZAIHGGGIKJP-UHFFFAOYSA-N 386.246 3.414 5 40 GGBB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c([N+](=O)[O-])c1 4753828 NVIKGEJAENBEAY-UHFFFAOYSA-N 385.405 3.387 5 40 GGBB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 5602986 HNJWAINKFARHHX-UHFFFAOYSA-N 395.419 3.397 5 40 GGBB C[C@@H](OC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1nnc(-c2ccccc2)o1 32739606 LVIKDQCEIQLQNL-SNVBAGLBSA-N 383.316 3.292 5 40 GGBB C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1Cn1nc(-c2ccncc2)n(C)c1=S 24654662 IXZCTYZIVPATJJ-GFCCVEGCSA-N 382.449 3.330 5 40 GGBB O=[N+]([O-])c1ccc(/C=C/c2cc(N(CCO)CCO)c3ccccc3n2)cc1 6576305 ZTVPIPDNMUSRSU-VMPITWQZSA-N 379.416 3.104 5 40 GGBB O=C(COc1ccc2c(c1)CCC2)OCc1cc([N+](=O)[O-])cc2c1OCOC2 2661971 AOGIQWRWJWGEMD-UHFFFAOYSA-N 385.372 3.072 5 40 GGBB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 4120570 OQROCISNWRRMRY-UHFFFAOYSA-N 396.447 3.296 5 40 GGBB COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1[N+](=O)[O-] 9668089 LZYIESRBTYEQHH-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)NCc1cccnc1 20241995 FVGOFGYCFMXJLN-UHFFFAOYSA-N 390.399 3.101 5 40 GGBB O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H](c1c[nH]c2cccc(F)c12)C(F)(F)F 592696543 XTMXFMSXCRTBHX-OAHLLOKOSA-N 399.304 3.222 5 40 GGBB CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 13670817 PRPLXHNVOMEQDQ-ZDUSSCGKSA-N 394.449 3.432 5 40 GGBB O=C(OCc1cn2cc(Cl)ccc2n1)c1cc2c(cc1[N+](=O)[O-])OCCO2 21421161 QNYWOCNDVYHIRK-UHFFFAOYSA-N 389.751 3.024 5 40 GGBB COc1ccccc1CC(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 2098492 OWCHDURVQDTYDD-GOSISDBHSA-N 398.479 3.308 5 40 GGBB biogenic C[C@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@H]1C[C@H]2CC[C@H]1C2 102622454 HJRAEQKPMOWDLT-YHUYYLMFSA-N 384.436 3.382 5 40 GGBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 5569536 HLZOGHGDTPTWNR-UHFFFAOYSA-N 389.433 3.022 5 40 GGBB O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4561728 LIANXZTWYZSZPH-UHFFFAOYSA-N 387.421 3.022 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2c(=O)n3ccccc3nc2s1 6793312 DNKPBENMTPDJJA-UHFFFAOYSA-N 396.384 3.078 5 40 GGBB COc1ccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 17078654 OLICLXRTHAWFKS-UHFFFAOYSA-N 385.380 3.014 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(c3nc4ccccc4s3)C2)c1 89875042 XYFLDHDBZGWWFF-HNNXBMFYSA-N 385.445 3.044 5 40 GGBB O=c1c2c3nc4ccccc4nc3n(C[C@H]3CCCO3)c2ncn1-c1ccccc1 5234800 VPGFQSLIFFNKGP-MRXNPFEDSA-N 397.438 3.463 5 40 GGBB CCCCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(O)c2ccccc21 100502064 NWVHYNFOSVRLGD-UHFFFAOYSA-N 397.387 3.373 5 40 GGBB Cc1cccc2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 105825210 HNMWHKWVMRTEQY-OAHLLOKOSA-N 397.406 3.375 5 40 GGBB COc1cc(C(=O)Nc2cnc3ccccc3c2)c([N+](=O)[O-])c(OC)c1OC 25157192 GEPNZCJOGNLJOM-UHFFFAOYSA-N 383.360 3.421 5 40 GGBB CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6362040 NGPZKZKNPHCHHI-ZDUSSCGKSA-N 391.449 3.232 5 40 GGBB CSc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58160226 CWQHCRWURUDOSL-UHFFFAOYSA-N 386.477 3.077 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c1C 5030336 BINIFBWJUPCSIS-CQSZACIVSA-N 375.208 3.277 5 40 GGBB CS(=O)(=O)c1cccc(NCC2(c3ccncc3)CCCC2)c1[N+](=O)[O-] 95467549 ZDHCXJQWQLVBSG-UHFFFAOYSA-N 375.450 3.317 5 40 GGBB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4556147 IADGZEUTZGZRPG-INIZCTEOSA-N 388.449 3.472 5 40 GGBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc(Cl)ccc1[N+](=O)[O-] 7505789 QCDRXBOHEKTBEA-UHFFFAOYSA-N 375.720 3.417 5 40 GGBB CCCNC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C 408611330 WQGYGOXNGIMRKM-UHFFFAOYSA-N 391.449 3.152 5 40 GGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 32126451 NSDMIMBJKGPOSX-UHFFFAOYSA-N 379.781 3.104 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224651874 CMUXUKGSDPVJLS-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 225859821 IYMIPDGEOUWMOZ-UHFFFAOYSA-N 385.420 3.466 5 40 GGBB O=C(OCc1cc2c(cc1Br)OCCO2)c1cccc([N+](=O)[O-])c1 5673011 MOQAIMDVDYBGTO-UHFFFAOYSA-N 394.177 3.486 5 40 GGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 23486821 CVKZJPSTFCSWKL-YOCVDRLZSA-N 394.475 3.253 5 40 GGBB O=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)c1ccc([N+](=O)[O-])cc1 104274250 FYJLNWCDAWXIGG-UHFFFAOYSA-N 399.359 3.454 5 40 GGBB O=C(NCc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7778922 RIIOQGIDLLOHAX-UHFFFAOYSA-N 383.404 3.244 5 40 GGBB Cc1cccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1C 20611870 WNFRNSXXUHZHFC-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB COc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1 408532545 ZSFIEHKYIOUDPW-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224227646 YSNWFUZEJLXXAL-LJQANCHMSA-N 397.475 3.389 5 40 GGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2ccc(Cl)cc2)c1=O 5269420 TWTKVGNLOUAKNY-UHFFFAOYSA-N 390.808 3.167 5 40 GGBB O=c1nc(SCc2cccc([N+](=O)[O-])c2)c2c(n1C[C@@H]1CCCO1)CCC2 10255374 HZAQHEXDYOYSPT-HNNXBMFYSA-N 387.461 3.112 5 40 GGBB CC(C)OC(=O)C[C@H](NC(=O)c1ccc2cn[nH]c2c1)c1ccccc1[N+](=O)[O-] 32901019 FNFCSWLSBHGKCH-KRWDZBQOSA-N 396.403 3.284 5 40 GGBB Cc1ccc(N2C[C@H](C(=O)O[C@H](C)C(=O)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 7881681 AVBWBPJMBVCEBX-GDBMZVCRSA-N 396.399 3.071 5 40 GGBB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 11443390 SJIIALQUXGBVLK-VIFPVBQESA-N 396.856 3.403 5 40 GGBB O=C(Nc1ccccc1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 28812218 PUJZTZCDRUMYRF-HNNXBMFYSA-N 379.420 3.253 5 40 GGBB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 4090474 BMTVTUVTWKIOMI-UHFFFAOYSA-N 386.433 3.379 5 40 GGBB CCOc1ccccc1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 22527289 MZAOUNPZTCQEAE-UHFFFAOYSA-N 378.450 3.046 5 40 GGBB Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccccc2)n[nH]1 9089489 XCNPHVQNFIURDA-UHFFFAOYSA-N 393.432 3.250 5 40 GGBB CN(C)c1ccc([C@H](CNC(=O)[C@H]2C[C@H]2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 245224651 AMVSXUNJUVIMKS-BBTUJRGHSA-N 392.459 3.147 5 40 GGBB CC(C)N(CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C 12741930 KYVQOAHISXQHKU-UHFFFAOYSA-N 379.504 3.390 5 40 GGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@H]1C=C[C@@H]2C12CC2 4201566 YIYRSRIZYGXCCZ-DJBIQUGXSA-N 389.205 3.059 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(C)n1-c1ccccc1 4959752 TVXBGUZHTWUTQF-UHFFFAOYSA-N 399.432 3.223 5 40 GGBB CC1CCN(S(=O)(=O)c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)CC1 12557734 DKOPYMVGOVPWJU-HNNXBMFYSA-N 381.498 3.394 5 40 GGBB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 55312680 RTXLIIBLERRHPN-UHFFFAOYSA-N 396.186 3.266 5 40 GGBB Cc1c(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 3428281 OCQVIDHLYMADPR-UHFFFAOYSA-N 382.825 3.359 5 40 GGBB COc1ccc(NC(=S)NC(=O)c2cccc(C)c2OC)c([N+](=O)[O-])c1 408623838 SIZTXBWJRPCYJP-UHFFFAOYSA-N 375.406 3.047 5 40 GGBB CCc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1 408565252 JEQLMJIVSWBLNC-CUXKYVRBSA-N 377.444 3.304 5 40 GGBB CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257171 KMBWLMMUAQHAIH-UHFFFAOYSA-N 396.403 3.381 5 40 GGBB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 222821748 AUQJXRXRBHGTOI-UHFFFAOYSA-N 389.433 3.003 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(C)cc2C)CC1=O 7928419 CZRBAAVHCYYEHD-CQSZACIVSA-N 383.404 3.212 5 40 GGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 8413550 HJDPYKBQZXTJCM-UHFFFAOYSA-N 399.403 3.112 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCc1cc(OC)c(OC)c(OC)c1 3401734 NOCVHFRDBJXETE-UHFFFAOYSA-N 390.392 3.201 5 40 GGBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2[nH]cnc2c1 9889877 XNNWTQZDZOVVEU-UHFFFAOYSA-N 393.325 3.332 5 40 GGBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn2)cc1 408530760 RIMJJFQSOZNMGL-UHFFFAOYSA-N 380.316 3.488 5 40 GGBB C[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400057 LDNIXFUJPYWOOZ-NSHDSACASA-N 397.840 3.041 5 40 GGBB CNc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] 11082900 YMAZFARONFOMGT-UHFFFAOYSA-N 379.420 3.154 5 40 GGBB Cc1nc(C2(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)CCCCCC2)no1 24688981 YMXLRAITENPGIV-UHFFFAOYSA-N 394.453 3.123 5 40 GGBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 3447137 SOHVAFSXRPNLPI-CVTTXWKISA-N 380.400 3.345 5 40 GGBB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 3844162 OWFWSFYUHBRYMX-QGZVFWFLSA-N 383.429 3.131 5 40 GGBB biogenic COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1Cl 223830400 JOJMSWRDUOGWLX-UHFFFAOYSA-N 384.797 3.144 5 40 GGBB C[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 12806460 CWOBDDBNSZYBBD-CQSZACIVSA-N 377.400 3.355 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)n1C 812953 VPIASUSJCISRHN-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB COc1ccc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1OC 2344192 IGFFNZOZHJHFFF-UHFFFAOYSA-N 398.375 3.233 5 40 GGBB Cc1ccc(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] 2617275 AORBWWRGQMIDBT-UHFFFAOYSA-N 381.388 3.499 5 40 GGBB CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)C1CCCCC1 78904396 KOVPYUWDSKJSJT-SFHVURJKSA-N 376.457 3.474 5 40 GGBB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 24985331 UPIVUVOIZNIEPU-UHFFFAOYSA-N 396.403 3.404 5 40 GGBB CCOc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OC 6163698 KRPSQGUUWSPYET-UHFFFAOYSA-N 388.376 3.106 5 40 GGBB CCc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1 8560906 RXEYCVCCIDBMND-UHFFFAOYSA-N 375.337 3.092 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 100391244 YTUQDFOFCITVEC-HZVDNRATSA-N 390.395 3.485 5 40 GGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)N[C@H](CN1CCCC1=O)c1ccccc1 48278819 LGOVJEFEDYVEPV-QGZVFWFLSA-N 386.383 3.219 5 40 GGBB COC(=O)c1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1[N+](=O)[O-] 29412066 WWNQIKKFTIMIAJ-AWEZNQCLSA-N 399.451 3.083 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nsnc2c1 21596000 FFCLNIYDNUEMHW-UHFFFAOYSA-N 393.837 3.380 5 40 GGBB CCOC(=O)c1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 225091688 QVTXUPOCLWFFQY-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1[N+](=O)[O-] 31084081 GGVITONACVQWBH-UHFFFAOYSA-N 389.477 3.188 5 40 GGBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[C@H]1CCCO1 2959642 WOJPXMQPLGAXEU-CQSZACIVSA-N 392.484 3.423 5 40 GGBB COc1cc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC 8175412 VPWZNQDXYDBPLQ-UHFFFAOYSA-N 379.800 3.107 5 40 GGBB COc1ccc(CSCC(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 31871861 CYFLZPRILIWWEL-UHFFFAOYSA-N 390.417 3.247 5 40 GGBB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc(COc2ccccc2[N+](=O)[O-])o1 48230164 XXFTWXIWLFFAOT-UHFFFAOYSA-N 378.344 3.317 5 40 GGBB CN(C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 10335594 ZAAZVDVXCMAEAQ-HXUWFJFHSA-N 399.472 3.329 5 40 GGBB C[C@H](SC1=NCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 2711469 IMIKVQRVBAMTCF-ZDUSSCGKSA-N 391.474 3.450 5 40 GGBB Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c1 862146 GBPLYSWCBMVJIM-UHFFFAOYSA-N 383.433 3.430 5 40 GGBB CCOc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] 6355659 FJTFJNUKYKRAAV-UHFFFAOYSA-N 384.348 3.345 5 40 GGBB CCN1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1 9328451 KYUOAQLKBOGOTO-UHFFFAOYSA-N 378.432 3.041 5 40 GGBB Cc1c(C(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 12894967 MGRSFPHYYXWMAG-CYBMUJFWSA-N 376.434 3.140 5 40 GGBB C[C@@H](OC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 21134275 AUQBXPFGEPONET-CHWSQXEVSA-N 380.466 3.456 5 40 GGBB Cc1cc(=O)c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)nn1-c1ccccc1[N+](=O)[O-] 21901823 OUNGPDSVPGKXAD-JKSUJKDBSA-N 396.447 3.244 5 40 GGBB COc1ccc(CSCC(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] 31891878 UOCJTYDUWHARKK-UHFFFAOYSA-N 382.467 3.450 5 40 GGBB CCOc1ccccc1[C@@H]1[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408564892 GGAROIMYLXVQCD-RJJVWVDVSA-N 393.443 3.140 5 40 GGBB Cc1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3cc([N+](=O)[O-])ccc32)cc1Cl 59497850 ZPWVZHCPBLAAJS-UHFFFAOYSA-N 396.790 3.059 5 40 GGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(-n3cccn3)c(F)c2)c1C 40155177 OYIMEYJBCVDRMR-UHFFFAOYSA-N 390.396 3.337 5 40 GGBB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 5711168 OSHYVNYNVUGUEH-OAHLLOKOSA-N 389.452 3.000 5 40 GGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H]1COc2ccccc2O1 31173468 FHLDKZJTINAYHC-OAHLLOKOSA-N 385.420 3.004 5 40 GGBB COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 101658200 YFMCXTFENJJDFK-XGICHPGQSA-N 389.751 3.060 5 40 GGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2cccnc2)cc1 23114256 FDJXPUXNCNSJLK-HXUWFJFHSA-N 393.399 3.032 5 40 GGBB CCC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9062395 DVKUXPAPEJRPAY-UHFFFAOYSA-N 381.348 3.246 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C3CCCCCCC3)CC2)cc1 54991922 ATWIVTVXVWQFSJ-UHFFFAOYSA-N 381.498 3.014 5 40 GGBB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 4554901 QHTHMTLKRLPPQE-NRFANRHFSA-N 398.415 3.211 5 40 GGBB O=C1O[C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)Cc2ccccc21 14227677 IKASJVUNOGMNDH-MRXNPFEDSA-N 395.396 3.439 5 40 GGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1NCCO)C(=O)c1cccc(Cl)c1 18331578 ASJNZLIBGHEMKD-NSHDSACASA-N 392.795 3.081 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)COc1ccc2c(c1)CCC(=O)N2 25457257 HUNDDEIIEMIIBM-CYBMUJFWSA-N 383.404 3.078 5 40 GGBB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409145774 RTDAXFVFEZUGLM-SWLSCSKDSA-N 389.481 3.177 5 40 GGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 32925031 TVRZXPJUNNBTRU-UHFFFAOYSA-N 397.815 3.047 5 40 GGBB CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2c(OC)ccc(OC)c21 100909006 LUCKVEKYHYEYOD-HNENSFHCSA-N 387.417 3.389 5 40 GGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(F)(F)F 2665105 FEIYBAKFBZYYEP-UHFFFAOYSA-N 382.294 3.338 5 40 GGBB Cc1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 2619902 VDXHDDWOEJZHOI-UHFFFAOYSA-N 384.219 3.343 5 40 GGBB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 4744318 VGIDNWRCLRURSQ-UHFFFAOYSA-N 387.779 3.263 5 40 GGBB CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 725469 SQFNJQLVCPDVIA-SFHVURJKSA-N 381.388 3.009 5 40 GGBB COc1cc(C(=O)N2CCc3sccc3C2)c([N+](=O)[O-])cc1OC(F)F 12216749 LKVUDVLTISSKKY-UHFFFAOYSA-N 384.360 3.465 5 40 GGBB C[C@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1[N+](=O)[O-] 5887196 AAYLDWGNWQZEAF-VMPCVLLUSA-N 385.332 3.087 5 40 GGBB O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1CC(F)(F)F 7113312 ZGJLUAKTYLCKKS-HNNXBMFYSA-N 395.293 3.452 5 40 GGBB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccccc1 408638297 QXHXQMWGJFZHNQ-YJBOKZPZSA-N 396.399 3.152 5 40 GGBB O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(c4ccccc4Cl)CC3)n2)cc1 32923122 LFERCWOIHIVJLC-UHFFFAOYSA-N 398.854 3.286 5 40 GGBB O=C1COc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(Cl)cc2N1 33194434 GEMQZZASEZGNAD-UHFFFAOYSA-N 382.159 3.485 5 40 GGBB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 4428036 XVALLBMPSDDMPQ-CXUHLZMHSA-N 385.401 3.321 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 3012201 YBCWTMMIIQDJTC-UHFFFAOYSA-N 387.167 3.098 5 40 GGBB COc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1=O 11419106 MZEWQKSAUIMVSA-IZZDOVSWSA-N 381.388 3.382 5 40 GGBB COc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])cc1OC 4195987 UEDOQWVGRZIQJB-UHFFFAOYSA-N 381.728 3.426 5 40 GGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1cc(Cl)ccc1Cl 8855859 JBXSUWGCIIBMNA-UHFFFAOYSA-N 396.186 3.266 5 40 GGBB O=C(Sc1nc2cc([N+](=O)[O-])ccc2n1C(=O)C(F)(F)F)C(F)(F)F 5771024 PTCBOYGMJUHOIE-UHFFFAOYSA-N 387.217 3.328 5 40 GGBB O=c1oc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1ccc(F)c(Cl)c1 575617152 ZRLFYPCPHWDFOF-UHFFFAOYSA-N 383.740 3.327 5 40 GGBB Cc1ccoc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25320226 ZJZDVWVCMKPRDA-UHFFFAOYSA-N 383.326 3.477 5 40 GGBB O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1ccccc1OC(F)(F)F 14253901 GBXCCVRZAOJEOU-UHFFFAOYSA-N 381.259 3.400 5 40 GGBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)CCc3ccccc3)cc21 408526167 ATDWMQQAULCBDM-UHFFFAOYSA-N 382.420 3.322 5 40 GGBB Cc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 32101103 LAUYRIAOPINHFU-KRWDZBQOSA-N 393.321 3.404 5 40 GGBB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 36092268 YTUQDFOFCITVEC-LOHFZDIYSA-N 390.395 3.485 5 40 GGBB COC(=O)c1cc(C(=O)OCCCC(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1 5702481 JSRCMEQECRRFSF-UHFFFAOYSA-N 389.335 3.340 5 40 GGBB COc1ccc2nc(-c3ccc(Cl)cc3)c3c(=O)n(C)c(=O)n(C)c3c2c1 12427986 SMAUXAZNDYXWBW-UHFFFAOYSA-N 381.819 3.114 5 40 GGBB CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(Br)cc1 6637914 HNKSWGFFZAKWQN-UHFFFAOYSA-N 378.226 3.428 5 40 GGBB CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1 2463263 BRBTWTAMGKUGRC-NHYWBVRUSA-N 389.433 3.195 5 40 GGBB O=C1O[C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)Cc2ccccc21 14227674 IKASJVUNOGMNDH-INIZCTEOSA-N 395.396 3.439 5 40 GGBB CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 1505840751 ZEIFDKDZHIUESW-IEBWSBKVSA-N 379.372 3.023 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCSc1ccccc1 4928828 LWJDCFVCWSRUNG-UHFFFAOYSA-N 390.417 3.268 5 40 GGBB CCCCCNC(=O)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 36846993 QYBUVKQLEGUGBC-UHFFFAOYSA-N 378.498 3.310 5 40 GGBB COc1ccc(OCCNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 7815816 FXWJGQNWZUNOEF-ZDUSSCGKSA-N 376.434 3.279 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](C(F)(F)F)C1 48260285 FMTOGIHHVSZISL-MRVPVSSYSA-N 377.275 3.068 5 40 GGBB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCCNc1ccc([N+](=O)[O-])cc1 7256863 VWBAPDAKNGIXMT-HXUWFJFHSA-N 394.431 3.087 5 40 GGBB O=C(Cn1cnc2cc3ccccc3cc2c1=O)N1CCc2sccc2C1 22079557 ZWWMTZOUMOGRPT-UHFFFAOYSA-N 375.453 3.196 5 40 GGBB CCCN1C(=O)N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409229191 KYSZRXBZSFINCP-NTEUORMPSA-N 398.375 3.093 5 40 GGBB COC(=O)[C@@H]1C[C@@]23CCC[N+]4(C)CC[C@@]5(c6ccccc6N(C(C)=O)[C@]15CC2)[C@@H]34 32124389 AVRZAJRDJDMMDG-BAONPRDCSA-N 395.523 3.016 5 40 GGBB Cc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 224791302 IXUASLUUQPGRRE-UHFFFAOYSA-N 385.785 3.290 5 40 GGBB Cc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])s1 5150502 ZMRDAUPQWOYXBL-UHFFFAOYSA-N 376.390 3.110 5 40 GGBB CC(=O)N(c1nc(Cn2cc([N+](=O)[O-])ccc2=O)cs1)c1ccccc1F 12922215 DDKQARBSJFMQRC-UHFFFAOYSA-N 388.380 3.085 5 40 GGBB COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1 1280090 CYDUFDRHCDJTNR-KRWDZBQOSA-N 384.452 3.379 5 40 GGBB biogenic CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Cl)c1OCC 10013970 BMOQTVWONCFEMK-AATRIKPKSA-N 381.772 3.005 5 40 GGBB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 13075980 SJBOEZUZWZPYGE-FOSCPWQOSA-N 394.811 3.125 5 40 GGBB Cc1cccc(N2CCN(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)c1C 32923126 USELPFQYWCPFEN-UHFFFAOYSA-N 392.463 3.250 5 40 GGBB C[C@H]1CN(C(=O)C2CCN([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)C[C@@H](C)O1 45803359 QGDKVZDNIDFJKK-XHSDSOJGSA-N 375.469 3.004 5 40 GGBB Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 8749089 HFVDPIMGRGOVGS-UHFFFAOYSA-N 389.839 3.335 5 40 GGBB Cc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220398853 PADOBCNTIGIUGA-AWEZNQCLSA-N 391.449 3.005 5 40 GGBB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 4525279 NZZIUPXDHAIAKB-RUDMXATFSA-N 375.381 3.269 5 40 GGBB Cc1ccc(C)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)nc12 4583534 LNLGKPXCIJXZGA-UHFFFAOYSA-N 386.433 3.377 5 40 GGBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1C[C@@H]1CCCO1)CCC2 10255411 HJWKFNBQUZHTTN-HNNXBMFYSA-N 387.461 3.112 5 40 GGBB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 10219101 RLKPMXWSPVYKRS-UHFFFAOYSA-N 382.825 3.441 5 40 GGBB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 4960252 NXJOSAQKMSAHCS-UHFFFAOYSA-N 399.403 3.201 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 7882199 STDYFTSYSHUERJ-DZGCQCFKSA-N 383.404 3.152 5 40 GGBB O=C(COC(=O)COc1cccc(C(F)(F)F)c1)Nc1cccc([N+](=O)[O-])c1 2660552 SAOMXIZCRVAHIF-UHFFFAOYSA-N 398.293 3.174 5 40 GGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N=c1[nH]c2ccccc2[nH]1 6662640 LBBPCANJZVCFIM-UHFFFAOYSA-N 385.379 3.262 5 40 GGBB COC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1Cl 224787183 OGYLKCSTPGECIB-UHFFFAOYSA-N 398.824 3.168 5 40 GGBB CCN1CCN(c2c(Br)cc([N+](=O)[O-])cc2Br)CC1 226316807 KUWLGPLOQZAEJE-UHFFFAOYSA-N 393.079 3.262 5 40 GGBB C[C@@H]1CC(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4276700 CLKZLLNJWMMNOU-SNVBAGLBSA-N 395.824 3.174 5 40 GGBB CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1 3777839 NUFNKYNBZYIQDG-UHFFFAOYSA-N 378.436 3.415 5 40 GGBB CCn1c(C)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Br 20033723 CIRXTNRQFRIREM-UHFFFAOYSA-N 385.243 3.252 5 40 GGBB COCCCn1c(-c2ccc(F)cc2)nc2oc3ccccc3c(=O)c2c1=O 2200941 IBEPHBBCNQAHLJ-UHFFFAOYSA-N 380.375 3.346 5 40 GGBB CCn1c(=O)c2ccccc2n2c(COc3ccc([N+](=O)[O-])cc3Cl)nnc12 29271284 GDAFKKWUAKXAOS-UHFFFAOYSA-N 399.794 3.205 5 40 GGBB Cc1c(OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-] 53837500 JVLKNRIAPAUEES-UHFFFAOYSA-N 391.811 3.033 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 12853955 XKYHMJQLKVAUBH-UHFFFAOYSA-N 383.751 3.056 5 40 GGBB COc1ccc(NC(=O)CNc2cccc(Br)c2)c([N+](=O)[O-])c1 6507861 LZZXAMPFZZRYSI-UHFFFAOYSA-N 380.198 3.417 5 40 GGBB CCCNC(=O)CSc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 7290074 AUCJYUYUSHDJSO-UHFFFAOYSA-N 384.508 3.357 5 40 GGBB CCO[C@@H](O)[C@H]1N[C@@H](c2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1 19871511 RTTHNEXNTOBPTG-HVMFNXBNSA-N 376.840 3.137 5 40 GGBB Cc1nc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)nn1-c1ccc(F)cc1 12752685 KHLKGOUIPBWXNV-LBPRGKRZSA-N 383.383 3.456 5 40 GGBB COc1cc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc([N+](=O)[O-])c1O 32831714 QTDBEFCRSQSNKF-XNWCZRBMSA-N 391.723 3.363 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCC2 3420494 CNCNSVNMIGYLDY-SNVBAGLBSA-N 390.417 3.338 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 4977102 PUKVFCSHFMWZDV-UHFFFAOYSA-N 399.432 3.135 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 5270032 IGUGESYBBNHLBX-UHFFFAOYSA-N 396.378 3.423 5 40 GGBB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 7053269 ZOYIHVZIXNJNOO-UHFFFAOYSA-N 387.211 3.167 5 40 GGBB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 9366701 UIGQUIKKCRSRIW-UHFFFAOYSA-N 399.447 3.247 5 40 GGBB COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 12906421 ZWPIGHGGCBUXGR-UHFFFAOYSA-N 396.403 3.423 5 40 GGBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 24193279 FKNDYSLKPYZZIS-IBGZPJMESA-N 383.448 3.015 5 40 GGBB O=C(/C=C/c1c(F)cccc1F)OCc1cc([N+](=O)[O-])cc2c1OCOC2 46560014 AYKLNBZLTWEGNF-SNAWJCMRSA-N 377.299 3.496 5 40 GGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408640545 IJFJDZPLJOTBFM-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB O=C(c1ccccc1[N+](=O)[O-])N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 4616827 BXUSITOYAPIQAH-INIZCTEOSA-N 379.294 3.096 5 40 GGBB O=C(COc1cc(Cl)ccc1Cl)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 14017626 UJKYOYBLHMEWPH-AWEZNQCLSA-N 385.203 3.130 5 40 GGBB COc1ccc(Br)cc1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 6441648 YHWXVBHWTGCZIL-UHFFFAOYSA-N 377.150 3.167 5 40 GGBB O=c1oc2ccc3ccccc3c2cc1C1=Nc2ccccc2S(=O)(=O)N1 2960011 PWKPCFYPGWEMKY-UHFFFAOYSA-N 376.393 3.316 5 40 GGBB Cc1ccc(C(=O)NCc2cccc(NC(=O)c3cccnc3)c2)cc1[N+](=O)[O-] 12974907 JSGHWGFAWHGNEJ-UHFFFAOYSA-N 390.399 3.481 5 40 GGBB O=C(CNc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1 6923132 JBFLRFWVGNGBRH-UHFFFAOYSA-N 397.172 3.250 5 40 GGBB Cc1cc(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)C)no1 24957028 AMYBZEJDELYXCC-AWEZNQCLSA-N 381.772 3.365 5 40 GGBB COc1ccc(CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(OC)c1OC 95963864 SZVFLDMHALFWPB-UHFFFAOYSA-N 386.364 3.283 5 40 GGBB Cc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 32101106 LAUYRIAOPINHFU-QGZVFWFLSA-N 393.321 3.404 5 40 GGBB CCOc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] 16302326 QKSXUOZAGYNFKF-UHFFFAOYSA-N 380.404 3.168 5 40 GGBB CNc1ccc(C(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1[N+](=O)[O-] 25172718 QVCQIPHYZZFXLT-UHFFFAOYSA-N 385.405 3.457 5 40 GGBB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 7927984 NTZNZCIZEBVHLJ-AWEZNQCLSA-N 383.404 3.294 5 40 GGBB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 45798594 IEZLUQUNBPYQAX-UHFFFAOYSA-N 389.477 3.157 5 40 GGBB CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(c1ccccc1)c1ccccc1 12892986 OPDCPFKTKGDJCQ-UHFFFAOYSA-N 377.400 3.005 5 40 GGBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2CC(C)C 4326211 PKKBHNVEGNAQRH-HNNXBMFYSA-N 391.475 3.438 5 40 GGBB O=C(CCc1cccnc1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8144035 QGFUONHYPCWJNL-UHFFFAOYSA-N 382.342 3.170 5 40 GGBB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1 17086049 ZVDYILPCOVPBGX-PWJLMRLQSA-N 387.417 3.364 5 40 GGBB CC[C@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100628127 YTRHYUONMMQKRB-AWEZNQCLSA-N 393.491 3.162 5 40 GGBB aggregator CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc(Cn2cncn2)cc1 11282730 WINKNBBAMKUVCD-UHFFFAOYSA-N 385.811 3.160 5 40 GGBB O=C(Nn1cnc2scc(-c3cccs3)c2c1=O)c1ccc([N+](=O)[O-])cc1 7968047 GCSYHMRZGKGXNF-UHFFFAOYSA-N 398.425 3.479 5 40 GGBB O=C(O)CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1 408948028 OPYGOHJHDQEXBD-UHFFFAOYSA-N 379.372 3.464 5 40 GGBB Cc1cccc(-n2c(=O)c3ccccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 4905110 DWRPKKQXKVLXNP-UHFFFAOYSA-N 387.395 3.417 5 40 GGBB COC(=O)c1cn(CC(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)c2ccccc12 32818854 GMKJWGGSNYSHCX-ZDUSSCGKSA-N 393.399 3.314 5 40 GGBB CC1CCN([C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)C)CC1 58161492 ZRRAEIKPBUZCID-HXUWFJFHSA-N 399.495 3.267 5 40 GGBB CCCC[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102729660 RKROBLKADFNWMV-IPMKNSEASA-N 395.415 3.463 5 40 GGBB Cn1ccc(CC(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)[N+](=O)[O-])n1 96011155 GNOTZCRRXKMLEO-OAHLLOKOSA-N 396.241 3.065 5 40 GGBB CN(Cc1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5688297 URXGXRSOZWAZBE-UHFFFAOYSA-N 381.479 3.077 5 40 GGBB COc1ccc(/C=C2/C(=O)N[C@H]3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1 31853093 ALPCFHJYBJDHMV-VPEZWSJASA-N 381.413 3.405 5 40 GGBB CC(C)NC(=O)COc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1 40488371 QGFORVXHWIWRAM-UHFFFAOYSA-N 382.376 3.215 5 40 GGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1 17076927 ONOLBCJBBFRUIZ-UHFFFAOYSA-N 376.394 3.470 5 40 GGBB Cc1c(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)cccc1[N+](=O)[O-] 12632001 HGWHCRVUQPXESI-UHFFFAOYSA-N 386.799 3.188 5 40 GGBB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C(=O)NCC(F)(F)F 12850938 PLWXSSJRXXSDLZ-UHFFFAOYSA-N 397.309 3.148 5 40 GGBB Cc1nc2nc(SCc3nc(-c4cccc([N+](=O)[O-])c4)no3)nn2c(C)c1C 32937874 QKFJPSPQPXFVRE-UHFFFAOYSA-N 397.420 3.300 5 40 GGBB COC(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(C)c2)cc([N+](=O)[O-])c1 30528280 DBSGMUONYPIZJA-UHFFFAOYSA-N 394.387 3.187 5 40 GGBB Cc1cccc(N2C(=O)C[C@@]3(CC(c4ccc([N+](=O)[O-])cc4)=NO3)C2=O)c1C 5245277 ONLBDHAMNFHBOB-FQEVSTJZSA-N 379.372 3.038 5 40 GGBB COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1I 5918143 OOIHDTSNOIIDTH-UHFFFAOYSA-N 398.156 3.460 5 40 GGBB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 23503673 PFIYIJXEXRATPE-LBPRGKRZSA-N 391.374 3.213 5 40 GGBB COc1ccc(/C=C2\C(=O)N[C@H]3SC=C(c4cccc([N+](=O)[O-])c4)N23)cc1 1637158 ALPCFHJYBJDHMV-SCFJZMLDSA-N 381.413 3.405 5 40 GGBB Cc1c(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 1741726 HNUJONWZLQEODI-UHFFFAOYSA-N 385.355 3.176 5 40 GGBB CCCC(CCC)C(=O)OC[N+](C)(C)Cc1ncccc1OC(=O)N(C)C 4123191 DTOIHOVSJUHYOB-UHFFFAOYSA-N 380.509 3.436 5 40 GGBB Cc1cccc(-n2ncc3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)cnc32)c1C 4479219 UDFSPTFCGOLNIH-UHFFFAOYSA-N 375.388 3.156 5 40 GGBB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 6348466 XSPDKVHZYCEOHS-MRXNPFEDSA-N 386.408 3.165 5 40 GGBB CC(C)[C@H](NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1cccs1 7121345 VXEHDRZGMJBWDI-INIZCTEOSA-N 375.406 3.078 5 40 GGBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F 7235965 BFKHNTQIMBWPAE-UHFFFAOYSA-N 387.396 3.260 5 40 GGBB O=[N+]([O-])c1ccc(CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1 8403123 HVNXIQSHBYOGJY-UHFFFAOYSA-N 393.490 3.457 5 40 GGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2N2CCCC2=O)c1C 12514891 ZXWCNSMMCKWPJT-UHFFFAOYSA-N 382.420 3.389 5 40 GGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1F 17076926 XMORCDKYTFXCDB-UHFFFAOYSA-N 376.394 3.470 5 40 GGBB CCNC(=O)COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 25649165 AXRTWRPGIGEKOV-UHFFFAOYSA-N 377.784 3.015 5 40 GGBB CN1CCC(Oc2ccc(CNC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 216926327 ROKZGXBZYBHAKL-JXMROGBWSA-N 395.459 3.397 5 40 GGBB O=C(Oc1ccc(-c2ccc(F)cc2)nn1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408527846 IQWARKVTONJRNG-UHFFFAOYSA-N 384.279 3.318 5 40 GGBB C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N(C)C 10537910 MVZVDWOLXFUMJM-CYBMUJFWSA-N 397.460 3.411 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1nc(-c2ccccc2Cl)no1 12797885 BEKAHXHRTWHXJU-UHFFFAOYSA-N 383.751 3.056 5 40 GGBB CC[C@H]1c2ccsc2CCN1C(=O)CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 12925490 XEKOYZBVJCWISI-HNNXBMFYSA-N 387.461 3.231 5 40 GGBB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 7738671 KTQJJXFKEGLZJA-VIFPVBQESA-N 388.767 3.309 5 40 GGBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1 408783924 PGVAAWLHHFLUGC-BHCQIWIZSA-N 387.417 3.168 5 40 GGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 31186552 AUBHHCIRKYQWST-UHFFFAOYSA-N 393.443 3.032 5 40 GGBB CC(=O)c1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4981360 LBYGUYYVHIANPP-GOSISDBHSA-N 396.403 3.432 5 40 GGBB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c(c1)OCO4)[N+](C)(C)CC3)OCO2 2118508 WLUFFQSGSGIQMG-OAHLLOKOSA-N 398.435 3.099 5 40 GGBB biogenic O=C1c2ccccc2[C@](O)(Cc2ccccc2)N1Nc1ccc([N+](=O)[O-])cc1 4553030 LDLNYBUYQOMGNO-OAQYLSRUSA-N 375.384 3.466 5 40 GGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408739161 YTSFBYIKWSEYTQ-KRWDZBQOSA-N 397.387 3.170 5 40 GGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(I)c1 819812 QJNHYKPQIRUFBK-UHFFFAOYSA-N 394.124 3.000 5 40 GGBB COC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 1102661 HEZKBKKGHDKBGU-UHFFFAOYSA-N 390.417 3.339 5 40 GGBB COc1cccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6954305 KBCCBJPJZRMCPN-UHFFFAOYSA-N 375.812 3.219 5 40 GGBB COc1ccc(-c2ccc(C(=O)NCc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1 20140658 SYBQJOYJXRHFQV-UHFFFAOYSA-N 396.355 3.492 5 40 GGBB CCCC[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2ON1c1ccccc1 102729662 RKROBLKADFNWMV-GUDVDZBRSA-N 395.415 3.463 5 40 GGBB CCn1c(=O)c([N+](=O)[O-])c(N[C@H](Cc2ccccc2)C(=O)O)c2ccccc21 11615321 XELVUTHSEHSFKQ-OAHLLOKOSA-N 381.388 3.037 5 40 GGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1cccc(Cn2cncn2)c1 48356380 GUERITGJBFFISZ-AWEZNQCLSA-N 397.460 3.032 5 40 GGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(C(=O)c2cccs2)CC1 7131293 ZVNWMYMKQZRMNA-UHFFFAOYSA-N 377.397 3.286 5 40 GGBB COc1cc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc(N)n2)cc(OC)c1OC 71977574 IEDXADVMBFHELJ-UHFFFAOYSA-N 382.376 3.327 5 40 GGBB Cc1cc(=Nc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[nH]n1C1CCCCC1 577154098 UPFJYKNXBHQTED-UHFFFAOYSA-N 378.454 3.174 5 40 GGBB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)COc1cccc([N+](=O)[O-])c1 1532461086 KOFTXJPCRXXWLE-UHFFFAOYSA-N 383.360 3.270 5 40 GGBB CCOc1ccccc1/C=C/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 6010655 NFDGZSMLEGYUPQ-JXMROGBWSA-N 388.351 3.328 5 40 GGBB Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1[N+](=O)[O-] 22297451 SBBDFUHSGWBYRN-STQMWFEESA-N 390.465 3.221 5 40 GGBB Cc1nn(CC(=O)N[C@@H](C)c2ccccc2Br)c(C)c1[N+](=O)[O-] 14016928 HHZALINQUPHHGD-VIFPVBQESA-N 381.230 3.048 5 40 GGBB C[C@H]1CCCN(c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2[N+](=O)[O-])C1 6657418 DNWOAARLKRQULP-ZDUSSCGKSA-N 379.420 3.382 5 40 GGBB COCCCn1c(C)cc(C(=O)COc2ccc(OC)cc2[N+](=O)[O-])c1C 6602868 OXZRLQGCMPKOGK-UHFFFAOYSA-N 376.409 3.320 5 40 GGBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(C)=O 408556382 IDODJIDKZOGGQH-UHFFFAOYSA-N 393.421 3.061 5 40 GGBB NC(=O)c1ccc(Nc2ccc(N3CCc4sccc4C3)nc2)c([N+](=O)[O-])c1 30675205 YQKSGZSKLSCSCG-UHFFFAOYSA-N 395.444 3.457 5 40 GGBB Cc1cccc2sc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)nc12 3558864 WDPPZGMZOZGNSV-UHFFFAOYSA-N 384.417 3.272 5 40 GGBB O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1CC(F)(F)F 7113310 ZGJLUAKTYLCKKS-OAHLLOKOSA-N 395.293 3.452 5 40 GGBB C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408756685 UBHOYBLDLPBBIQ-IIMDRIAPSA-N 376.368 3.095 5 40 GGBB O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 12754069 UZQLUJZZQJMNHH-GOSISDBHSA-N 389.839 3.052 5 40 GGBB Cc1nn(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(C)c1[N+](=O)[O-] 22986427 QHVJRMZPAZODLU-AWEZNQCLSA-N 399.432 3.441 5 40 GGBB O=C(N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl 6969766 BGHMXHACWBTGAL-UHFFFAOYSA-N 387.050 3.267 5 40 GGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc1[N+](=O)[O-] 3442444 UFOKMCQKRHFNOL-UHFFFAOYSA-N 382.731 3.191 5 40 GGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cccnc1 4996679 JQVYAHJMMQEGMB-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB COC(=O)CCSc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 7156802 WYBDJCOWPDFAMI-UHFFFAOYSA-N 396.446 3.051 5 40 GGBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2nncs2)cc1 32789018 HNAAONYOJIISNC-UHFFFAOYSA-N 386.389 3.139 5 40 GGBB CCOC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)CC1 40128411 SDOKUTYGQXBGIQ-UHFFFAOYSA-N 399.403 3.301 5 40 GGBB COC(=O)/C=C/c1ccc(N[C@H](c2nnc3n2CCC3)C(C)C)c([N+](=O)[O-])c1 79063706 GDWFZSCZIUIJIN-KOEDOTQGSA-N 385.424 3.128 5 40 GGBB O=C1C(=O)N(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(Br)cc21 6224683 HWTSXUIVUGCFGT-UHFFFAOYSA-N 392.121 3.127 5 40 GGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12 6170078 FEQVETREHHBICV-UHFFFAOYSA-N 387.373 3.237 5 40 GGBB CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 725468 SQFNJQLVCPDVIA-GOSISDBHSA-N 381.388 3.009 5 40 GGBB CC(=O)N(c1ccccc1[N+](=O)[O-])N1C(=O)c2cccc3cccc(c23)C1=O 4696712 MRRBXHKJUZWANE-UHFFFAOYSA-N 375.340 3.312 5 40 GGBB CN(C)C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3279982 BUQPZQNNKYBBKK-UHFFFAOYSA-N 378.768 3.286 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 8725563 BHTVTXLAAHYQPV-MRXNPFEDSA-N 386.433 3.305 5 40 GGBB NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 32125272 VGSJIQXGYAUELC-UHFFFAOYSA-N 389.433 3.042 5 40 GGBB Cn1c(SCCCOc2ccc([N+](=O)[O-])cc2)nc2sccc2c1=O 48363846 IQCJYVIPABTURV-UHFFFAOYSA-N 377.447 3.464 5 40 GGBB O=C(O)c1cc(Cl)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 16449300 NYCMRYWZXRNFMK-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB C[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3435427 RWEFYTMTWPPCRV-LBPRGKRZSA-N 388.351 3.267 5 40 GGBB CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C(=O)OC 2091860 RQXJYXQTOBQBAB-UHFFFAOYSA-N 393.377 3.474 5 40 GGBB Cc1c(C(=O)NCCc2ccc(OCCN3CCCC3)cc2)cccc1[N+](=O)[O-] 95460111 LBXCXTRIYVAMSV-UHFFFAOYSA-N 397.475 3.350 5 40 GGBB CCOc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3231781 MCTAYJGFTGUJGF-UHFFFAOYSA-N 378.768 3.442 5 40 GGBB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 23601614 HZUXWZXXQQMEFE-UHFFFAOYSA-N 394.330 3.240 5 40 GGBB Cc1cccc(C(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-] 12924851 WURQARVMELSTNV-ZDUSSCGKSA-N 376.434 3.140 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2ccco2)o1 9634960 FVRKGSXQLXIHIB-VIFPVBQESA-N 390.377 3.366 5 40 GGBB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)c([N+](=O)[O-])c1 16687796 GKSNSPLJFDRNQT-RIYZIHGNSA-N 387.373 3.170 5 40 GGBB CCCC[C@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1 18059166 RKROBLKADFNWMV-OTWHNJEPSA-N 395.415 3.463 5 40 GGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)C2CCCC2)cc1 40074353 YNDDIQPBQHACKU-UHFFFAOYSA-N 388.445 3.492 5 40 GGBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2F)CC1 2627250 OOICKANCLNEHIA-UHFFFAOYSA-N 375.425 3.175 5 40 GGBB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 37164653 VOXZYULWMGKLMZ-CYBMUJFWSA-N 381.388 3.290 5 40 GGBB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccccc1[N+](=O)[O-] 408625465 DNRJUUYJBFQWEI-UHFFFAOYSA-N 376.394 3.470 5 40 GGBB Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1N(C)S(C)(=O)=O 222478439 KJAURQDFLLSDBD-UHFFFAOYSA-N 397.840 3.205 5 40 GGBB Cc1c(C(=O)N2CCN(C(=O)c3cc4ccccc4o3)CC2)cccc1[N+](=O)[O-] 40082506 VGICMACNGHULJT-UHFFFAOYSA-N 393.399 3.248 5 40 GGBB CCOC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)c(C)c1 4950354 FSPQFQBECMSPCO-UHFFFAOYSA-N 379.390 3.156 5 40 GGBB CCc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 8416555 OHNNVLRLNMIWCG-UHFFFAOYSA-N 399.403 3.058 5 40 GGBB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c([N+](=O)[O-])cc1O 12556318 PIGPWDQEVKSTND-CWTRNNRKSA-N 399.403 3.055 5 40 GGBB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCC2 40945579 UPNGIXXZZPSUMJ-UHFFFAOYSA-N 396.446 3.123 5 40 GGBB COc1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)cc1SC 78939968 BRFFXZBJZBVWGR-SFHVURJKSA-N 394.449 3.173 5 40 GGBB CC[C@H](C)n1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cc(C)ccc3nc21 100628130 UFWIPAOUWUZASC-AWEZNQCLSA-N 393.491 3.080 5 40 GGBB COC(=O)c1ccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 101085005 IWBYQUPXGJMTKN-BEFAXECRSA-N 383.360 3.151 5 40 GGBB O=C(NC(=S)Nc1cccnc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408624426 TWGYDODTBKOEBM-UHFFFAOYSA-N 385.449 3.107 5 40 GGBB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1 2788265 XBQGKFUHSACCBJ-UHFFFAOYSA-N 381.179 3.053 5 40 GGBB COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)[nH]c2c1 4274645 HLIGTHFXBJNCAN-UHFFFAOYSA-N 388.405 3.219 5 40 GGBB COc1cc(=O)cc2n(-c3cc(OC)c(O)c(OC)c3)c3ccccc3nc1-2 5372641 ZKYRFURQSLSXJL-UHFFFAOYSA-N 378.384 3.222 5 40 GGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1N)C(=O)Nc1cccc(C(F)(F)F)c1 6534095 UICOAFLEFGHCBU-VIFPVBQESA-N 397.309 3.380 5 40 GGBB O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 14869172 OGYPFYMPQGKTAV-UHFFFAOYSA-N 395.824 3.176 5 40 GGBB CN(Cc1ccc(C(F)(F)F)cc1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 22340236 UGUDVIJTBNXPLU-UHFFFAOYSA-N 393.321 3.299 5 40 GGBB C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)Cc1ccc(N(C)C)nc1 95446794 IXDSUYJKFPGFEN-CYBMUJFWSA-N 382.424 3.299 5 40 GGBB O=[N+]([O-])c1cccc(Nc2nc3nonc3nc2Nc2cccc([N+](=O)[O-])c2)c1 3150517 WSMKZWJNEWLIJQ-UHFFFAOYSA-N 394.307 3.316 5 40 GGBB CCOc1cc(CN(C)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1OC(F)F 25482985 MXILZIUBBQCKLP-UHFFFAOYSA-N 384.383 3.498 5 40 GGBB O=C(COC(=O)c1cc(F)ccc1Br)Nc1ccccc1[N+](=O)[O-] 7867364 DRYGWMQJKWOVDK-UHFFFAOYSA-N 397.156 3.292 5 40 GGBB CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]2ON1c1ccccc1 101054706 SRVKUUHUJMQTIZ-BZSNNMDCSA-N 381.388 3.073 5 40 GGBB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1C 6049071 HFXTVAVOEUPTNR-UHFFFAOYSA-N 393.783 3.191 5 40 GGBB Cc1ccc(OCCN(C)C(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)cc1 14136882 CHVKATZCEWNGSW-VMPITWQZSA-N 398.415 3.320 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](C(F)(F)F)C1 16591615 FXAMDOVJVBRSEN-WDEREUQCSA-N 375.347 3.205 5 40 GGBB CCOc1cc2c(cc1CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)O[C@H](C)C2 8144570 DNZMHROHRSJTNQ-CYBMUJFWSA-N 399.447 3.313 5 40 GGBB Nc1ccc([N+](=O)[O-])cc1-c1nc(CS(=O)(=O)c2ccccc2)cs1 95468745 JQMOWBRAZWOANR-UHFFFAOYSA-N 375.431 3.274 5 40 GGBB CCOc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1[N+](=O)[O-] 27544804 ZJJSIJMSSWRLDA-UHFFFAOYSA-N 380.404 3.168 5 40 GGBB O=C(c1cccc(Br)c1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-] 408731611 MGUQDZFOZIVLRY-UHFFFAOYSA-N 387.193 3.173 5 40 GGBB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1 6322558 TUENRYHBOJCNDY-UHFFFAOYSA-N 379.398 3.311 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)C(C)C)c1 10253466 IPLOCNBTQNFXJN-UHFFFAOYSA-N 378.406 3.038 5 40 GGBB O=[N+]([O-])c1cnc(NCc2nc3ncc(Br)cc3[nH]2)c(Cl)c1 79063558 ANLBWVXWTGPPBN-UHFFFAOYSA-N 383.593 3.289 5 40 GGBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccncc1 3501807 VOIZGMXOKVBPBK-UHFFFAOYSA-N 398.448 3.307 5 40 GGBB COc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4902606 ISKHWZHKJAQDRU-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB CC(C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCCCC1 12545868 SJMYEDBFBUWZFN-SFHVURJKSA-N 383.514 3.311 5 40 GGBB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 3244937 RTQQCRYJYCAMBC-UHFFFAOYSA-N 394.339 3.480 5 40 GGBB Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 25421545 XIJNNINRRMFFHM-KRWDZBQOSA-N 397.431 3.450 5 40 GGBB COc1ccc(OC)c(Nc2nc(N3CCCCCC3)nc(N)c2[N+](=O)[O-])c1 4306272 SDVFEKAKYBSEJX-UHFFFAOYSA-N 388.428 3.108 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN=C2SCc2cccc(F)c2)cc1 2711424 LMVJHPBKGOZDOJ-UHFFFAOYSA-N 395.437 3.028 5 40 GGBB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 6883011 CWCLEOYYGLWJPQ-UHFFFAOYSA-N 379.781 3.073 5 40 GGBB COc1ccccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 4902612 PGZJSNGNGJQWIF-UHFFFAOYSA-N 386.389 3.384 5 40 GGBB Cc1cccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 8417274 GOASFAPXCOIVSF-UHFFFAOYSA-N 399.403 3.194 5 40 GGBB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 408758689 PFBNRJCQMMPBPN-YHDSQAASSA-N 390.395 3.485 5 40 GGBB O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)s3)CC2)nc1 13985258 BCALSMDSUWDNNC-UHFFFAOYSA-N 383.271 3.136 5 40 GGBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1ccco1 5449636 BQHIDEQGUPODAL-LBPRGKRZSA-N 384.344 3.310 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Cl)c(N)c1 6421779 CUZUDQXOKKSIAH-VIFPVBQESA-N 393.783 3.023 5 40 GGBB COc1cc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)cc(OC)c1O 4678689 DNCZLRDLFKJELD-UHFFFAOYSA-N 384.392 3.330 5 40 GGBB C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 408756690 UBHOYBLDLPBBIQ-IKVWTGGYSA-N 376.368 3.095 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086579 ZRIXYVOVIQRHLF-UHFFFAOYSA-N 395.393 3.035 5 40 GGBB Cc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220133641 NKXXHNJAVVLFJE-CQSZACIVSA-N 391.449 3.005 5 40 GGBB Cc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1C 5054838 ZLSIWVXFIBDMOP-UHFFFAOYSA-N 393.399 3.254 5 40 GGBB C[C@H]1CCCN(CCCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 36393212 KBEAVDUKWIOJGQ-ZDUSSCGKSA-N 389.905 3.039 5 40 GGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2302824 SDJBWUQTONAUGC-UHFFFAOYSA-N 385.427 3.238 5 40 GGBB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20410785 STVIXIOOJTZNOX-UHFFFAOYSA-N 385.420 3.471 5 40 GGBB COc1ccc(CCNc2c(Br)cncc2[N+](=O)[O-])cc1OC 89464443 HUNQBQDVMLPMRW-UHFFFAOYSA-N 382.214 3.424 5 40 GGBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1C[C@H]1CCCO1)CCC2 10255414 HJWKFNBQUZHTTN-OAHLLOKOSA-N 387.461 3.112 5 40 GGBB Cc1ccccc1-c1noc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)n1 32724225 XEWTZSUXBZAIRF-UHFFFAOYSA-N 383.316 3.039 5 40 GGBB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24187875 MJJIBSDQDLDHQW-UHFFFAOYSA-N 387.411 3.485 5 40 GGBB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C 7509421 XDOKQFBWPCICAF-UHFFFAOYSA-N 388.376 3.106 5 40 GGBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccccc1OCCOc1ccccc1 409317767 SEXROJCRWLYZLO-KHPPLWFESA-N 395.371 3.424 5 40 GGBB Cc1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])nnc3c2c1 4976315 HPBFUYDTJWCKBE-UHFFFAOYSA-N 394.416 3.454 5 40 GGBB O=C(NCCc1ccc(Cl)cc1)c1cccn2c(=O)c3ccccc3nc12 51317288 LMGQHOCPLBRPKU-UHFFFAOYSA-N 377.831 3.474 5 40 GGBB O=C(O)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 20142788 LGVMNSFFZGXZJM-UHFFFAOYSA-N 383.404 3.465 5 40 GGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9667495 MCRPWGZIDAQXOA-LLVKDONJSA-N 389.795 3.248 5 40 GGBB O=C(COC(=O)CCc1ccco1)Nc1ccc([N+](=O)[O-])cc1Br 25211731 CQXLLPAYBVSOHZ-UHFFFAOYSA-N 397.181 3.065 5 40 GGBB O=[N+]([O-])c1cccc(CS(=O)(=O)NCCSc2ccc(Cl)cc2)c1 20453062 QEHPBIZMALFQNU-UHFFFAOYSA-N 386.882 3.460 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1C 225082312 UXYHQTRCEWQUBW-UHFFFAOYSA-N 398.824 3.145 5 40 GGBB COC(=O)c1cccc(C(=O)OC)c1Oc1c([N+](=O)[O-])ccc(C)c1[N+](=O)[O-] 12447438 TWRZNPGZNDLSEF-UHFFFAOYSA-N 390.304 3.177 5 40 GGBB COc1cc(C(=O)OCc2nc3ccccc3nc2C)c([N+](=O)[O-])cc1OC 32911101 GXVYBXNQDLNALB-UHFFFAOYSA-N 383.360 3.221 5 40 GGBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)CNC(=O)OC(C)(C)C)ccc12 2094610 BTNHLIBKVJESCX-UHFFFAOYSA-N 399.399 3.385 5 40 GGBB biogenic CC[C@@H](Oc1ccccc1)C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F 4433758 QJQNGIKZGFNVHG-MRXNPFEDSA-N 376.340 3.073 5 40 GGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N1C[C@@H](C)C[C@H](C)C1 6611416 XCLQLHCZRPEYJI-GJZGRUSLSA-N 391.468 3.102 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1CCOc1ccc(Br)cc1 7005816 ILYWLCHWMJLXKM-UHFFFAOYSA-N 390.193 3.146 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 7356481 VSRQDZKQYUGSHL-INIZCTEOSA-N 398.463 3.063 5 40 GGBB O=C(CN(Cc1ccco1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 8881873 JYGHIGPDZDYGEO-UHFFFAOYSA-N 379.372 3.469 5 40 GGBB COc1ccccc1-c1noc([C@@H](C)Nc2ncc([N+](=O)[O-])c(NC3CC3)n2)n1 72307648 FFLYHRBVJSQVST-SNVBAGLBSA-N 397.395 3.191 5 40 GGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 40094709 BBPYQXVQBKBHSO-UHFFFAOYSA-N 397.815 3.047 5 40 GGBB C[C@]1(c2cccc(Br)c2)NC(=S)N(c2ccc([N+](=O)[O-])cc2)N1 225342668 QKCPHSXUNNSQAR-HNNXBMFYSA-N 393.266 3.429 5 40 GGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1 5603869 QQURODRIYDIINK-ISQHLFTMSA-N 396.402 3.472 5 40 GGBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 14831682 NAQOHOPMZDHSTG-UHFFFAOYSA-N 386.433 3.316 5 40 GGBB CC1CCN([C@@H](CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)c2cccs2)CC1 10137120 VJCJTDZMFKFUGU-KRWDZBQOSA-N 388.493 3.442 5 40 GGBB C[C@@H](Nc1nc2ccccn2c(=O)c1[N+](=O)[O-])c1nc(-c2ccccc2)c[nH]1 58061532 NQIQQHKABKOVDP-GFCCVEGCSA-N 376.376 3.166 5 40 GGBB COc1ccc2nc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])sc2c1 9011762 PIOOEAGSYADJPZ-UHFFFAOYSA-N 389.389 3.483 5 40 GGBB CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772162 JFUPWMCXRBQSIB-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12755540 DHHYKCSEEVADKS-CQSZACIVSA-N 383.404 3.237 5 40 GGBB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc([N+](=O)[O-])cc1 6849547 ZEBNXURLWBITHK-UHFFFAOYSA-N 379.166 3.381 5 40 GGBB COCCNc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1[N+](=O)[O-] 17296163 WNAURWQIEIBGFC-UHFFFAOYSA-N 382.420 3.107 5 40 GGBB CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 95463369 NYAKCODIAKEQKK-QFYYESIMSA-N 377.328 3.148 5 40 GGBB C[C@@H](Oc1ccccc1)C(=O)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 4120672 SRYMQXOQLMEIBW-CQSZACIVSA-N 385.445 3.494 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 4187354 DJTGUJWGGDRBBY-UHFFFAOYSA-N 389.477 3.031 5 40 GGBB COc1ccc([C@H](C[N+](=O)[O-])[C@H]2CCCC=C2N2CCOCC2)cc1OC 945464 JDIUZCZPZSDLBY-SJORKVTESA-N 376.453 3.080 5 40 GGBB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] 3245260 SZVPIIALGDSZHS-UHFFFAOYSA-N 382.416 3.233 5 40 GGBB O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccc(Cl)cc12 13733992 VEHCTUAABPOTKG-UHFFFAOYSA-N 387.827 3.285 5 40 GGBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 5112768 UNJHIFOMNLALHP-UHFFFAOYSA-N 377.736 3.059 5 40 GGBB O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1cccc(Cl)c1 5321841 HVSAJCFQDWLTIE-GOSISDBHSA-N 385.763 3.075 5 40 GGBB CS(=O)(=O)N1CCCCC[C@@H]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 70038737 IFOWAKUWTVKBLH-LJQANCHMSA-N 395.525 3.011 5 40 GGBB CNC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC2 5055719 NGJRJWILGPGLHT-UHFFFAOYSA-N 379.825 3.410 5 40 GGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F 24989595 WKPCIRMPUIPFGK-UHFFFAOYSA-N 394.302 3.476 5 40 GGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 7928424 JPBGSHLCIYJZLF-NSHDSACASA-N 389.795 3.248 5 40 GGBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2247546 PFPPQKUTROBNKW-HNNXBMFYSA-N 391.475 3.438 5 40 GGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc([N+](=O)[O-])o1 20611562 OKDPQMDNFHLLNY-UHFFFAOYSA-N 396.197 3.039 5 40 GGBB CN(Cc1ccc(C(F)(F)F)cc1)c1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] 29187209 VQENUBJGUZSYJE-UHFFFAOYSA-N 378.310 3.487 5 40 GGBB O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCCC2)nc1 48345747 KMKNZFXPKQJTRR-UHFFFAOYSA-N 384.436 3.065 5 40 GGBB Cc1nn(C)c(C)c1NC(=O)CSc1ccc(Br)cc1[N+](=O)[O-] 79015332 LBJAZSXXGCEHKN-UHFFFAOYSA-N 399.270 3.438 5 40 GGBB Cc1cc(C(=O)N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c(C)o1 48290419 GNKZZQYMSRRAQF-UHFFFAOYSA-N 380.404 3.315 5 40 GGBB COCCN(C)C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 95944987 PDEAYAVHGDKZMM-IBGZPJMESA-N 397.475 3.373 5 40 GGBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN12 408569788 XUWZNFYVDPGKPM-RMJJICAUSA-N 383.835 3.395 5 40 GGBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)N1CCCCCC1 13148144 VFABJLNMEWOAMB-PTNGSMBKSA-N 389.433 3.034 5 40 GGBB O=C(CCSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 16400705 NZBDLNLIZUUEQO-UHFFFAOYSA-N 390.373 3.411 5 40 GGBB O=C1c2cccc3cccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4696714 DZKXCGLCNUFNCG-UHFFFAOYSA-N 378.300 3.279 5 40 GGBB CCOC(=O)c1cc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc([N+](=O)[O-])c1 32844985 FDVDOVBVZRRTKO-UHFFFAOYSA-N 392.371 3.481 5 40 GGBB CC1CCN([C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C(C)C)CC1 58161491 ZRRAEIKPBUZCID-FQEVSTJZSA-N 399.495 3.267 5 40 GGBB Cc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 176950209 KMHDLVGSBRSRTD-UHFFFAOYSA-N 381.432 3.072 5 40 GGBB C[C@H](Oc1cccnc1[N+](=O)[O-])C(=O)Nc1ccc(Br)cc1F 7202779 KUHFHDMBZRPTPY-QMMMGPOBSA-N 384.161 3.297 5 40 GGBB O=Cc1ccc(-c2ccc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)o1 409182574 MWTMDPWIZJPGQT-UHFFFAOYSA-N 394.339 3.463 5 40 GGBB CCOC(=O)N1CCN(C(=O)Nc2cc3ncccc3c3cccnc23)CC1 33771113 GMLPWNIACJHVLY-UHFFFAOYSA-N 379.420 3.089 5 40 GGBB CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 44884578 MMIMHXPERZHUKW-CYBMUJFWSA-N 391.449 3.065 5 40 GGBB CN1C(=O)c2cccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C1=O 4263829 WOPMUWZRCHHVTL-UHFFFAOYSA-N 398.374 3.424 5 40 GGBB CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1cc2ccccc2oc1=O 11852715 GEBHFVFBXYWIOV-UHFFFAOYSA-N 388.357 3.192 5 40 GGBB CC(=O)N(C(C)=O)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 4942498 YQXGAUBISZUWEB-UHFFFAOYSA-N 398.418 3.404 5 40 GGBB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 5390872 YHUNDOWZIOKUNQ-GQCTYLIASA-N 396.222 3.477 5 40 GGBB CO[C@@H]1[C@H](C)[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1(C)C 97033956 TWHPIITWNRUQIO-BZHVJNSISA-N 378.397 3.063 5 40 GGBB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])nn2)c1 408534577 VOZSJYWVQZUTCG-UHFFFAOYSA-N 381.344 3.288 5 40 GGBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 834095 GNCJDFIOIYUCNS-UHFFFAOYSA-N 392.751 3.074 5 40 GGBB CCCC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4310072 FWKSUTIERCJPKQ-QGZVFWFLSA-N 381.388 3.388 5 40 GGBB CC1=C(C(N)=O)[C@H](c2ccccc2)NC(SCc2ccc([N+](=O)[O-])cc2)=N1 408993742 XIBYOEAFNBJIMX-KRWDZBQOSA-N 382.445 3.288 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccccc2)s1 225362074 IUXLYQNHVSBKQP-UHFFFAOYSA-N 376.419 3.223 5 40 GGBB C[C@H](OC(=O)c1c[nH]nc1-c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 25066689 SXGPUUVSKCOYMH-LBPRGKRZSA-N 380.360 3.169 5 40 GGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(C(=O)c2ccco2)CC1 25832625 GLAUZOOMCTUCCT-CQSZACIVSA-N 385.420 3.260 5 40 GGBB O=C(NCCSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 26528372 BSDYPULXDZRAFE-UHFFFAOYSA-N 386.477 3.219 5 40 GGBB CCOC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 59498284 WXZJPEANUIUWCQ-UHFFFAOYSA-N 396.446 3.123 5 40 GGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 2763066 UKHRDYCPEHNODR-UHFFFAOYSA-N 392.824 3.294 5 40 GGBB Nc1ccc(C(=O)OCc2cc3c(cc2Br)OCO3)cc1[N+](=O)[O-] 5228816 SWTOVNXLHQPWTE-UHFFFAOYSA-N 395.165 3.025 5 40 GGBB COCCN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C 24366738 CECHDWRUTSHSDN-UHFFFAOYSA-N 384.479 3.110 5 40 GGBB CCOC(=O)c1cccc(N(CC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 224788643 XZVOARDZLQLZJV-UHFFFAOYSA-N 392.433 3.295 5 40 GGBB COc1cc([C@@H]2NC(=O)c3ccccc3N2C)c([N+](=O)[O-])cc1OC(F)F 54371637 RARBQXGZYXWRAG-OAHLLOKOSA-N 379.319 3.083 5 40 GGBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)cc1[N+](=O)[O-] 6517650 RLRWTMBAOMNFAO-UHFFFAOYSA-N 398.463 3.388 5 40 GGBB Cc1ccc(C(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 3270758 BQYJONJSXAWBKD-FUHWJXTLSA-N 395.444 3.445 5 40 GGBB O=C1CCCN1c1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1[N+](=O)[O-] 4015976 BCYLVCZBKRSVGF-UHFFFAOYSA-N 396.808 3.143 5 40 GGBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Cl)c1OCC 409309136 BZQUWENYLZXGML-WAYWQWQTSA-N 381.772 3.417 5 40 GGBB Cc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-] 15638299 ZLUWOFLPACBLOF-HNNXBMFYSA-N 383.404 3.064 5 40 GGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2cccc(Br)c2)nn1 32816246 QBQDPMINJQBCOY-UHFFFAOYSA-N 388.181 3.190 5 40 GGBB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1005521 PIVHAUKCNIKHCM-INIZCTEOSA-N 387.417 3.211 5 40 GGBB COc1cc([N+](=O)[O-])cc2cc(C(=O)Oc3cccc4cccnc34)c(=O)oc12 2710264 WPLNKVRCPVVUCI-UHFFFAOYSA-N 392.323 3.477 5 40 GGBB CC(C)Oc1cccc(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 13673460 IXWBWQWMTSYWFG-UHFFFAOYSA-N 378.450 3.293 5 40 GGBB CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1 15816536 YMAWGQOKSIWAIC-CQSZACIVSA-N 391.468 3.291 5 40 GGBB O=C(CCn1nc(C(F)(F)F)cc1C1CC1)Nc1cc([N+](=O)[O-])ccc1O 36003613 XGPVQSODBRKTBN-UHFFFAOYSA-N 384.314 3.422 5 40 GGBB CCN(C)Cc1cccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 58166323 HBTSKMCWOLLRIE-UHFFFAOYSA-N 377.466 3.062 5 40 GGBB Cc1onc(-c2ccncc2)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] 95426897 XGMVKOFDHWOEFN-GFCCVEGCSA-N 396.359 3.137 5 40 GGBB C[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220400292 KQGMCDNELRZDRE-LLVKDONJSA-N 397.840 3.041 5 40 GGBB CC(C)COc1ccc(/C=c2\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc1 408722068 CWMOJHWBRZIUDG-NVMNQCDNSA-N 395.440 3.400 5 40 GGBB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1467237 YNCXFHXMASIECJ-SFHVURJKSA-N 381.388 3.308 5 40 GGBB CCOC(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9062399 CHAODFZKIMNWHJ-UHFFFAOYSA-N 397.347 3.466 5 40 GGBB O=C(NC1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 12769637 ULRNSTONHAGJNW-ZHACJKMWSA-N 379.416 3.029 5 40 GGBB CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)c2cc(OC)ccc21 22235981 KYDGPQACJQWLME-UHFFFAOYSA-N 381.388 3.499 5 40 GGBB COc1cccc(N2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]2C)c1 89939360 IRBHVXHYXLKYIJ-OFAQMXQXSA-N 381.432 3.354 5 40 GGBB O=C(c1ccc(Br)cc1)n1nc(-c2ccccc2)nc1C[N+](=O)[O-] 408732575 RZLDCDIWVNRZDK-UHFFFAOYSA-N 387.193 3.173 5 40 GGBB O=C(CCn1cnc([N+](=O)[O-])c1)Nc1ccccc1N1CCc2sccc2C1 40134157 NJISDQBDSNRBHB-UHFFFAOYSA-N 397.460 3.444 5 40 GGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 32410301 ULLGVDRNPTXIBB-SMDDNHRTSA-N 380.422 3.141 5 40 GGBB CC(C)OC(=O)C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] 10737632 DCVIVFPOTHQXDK-INIZCTEOSA-N 396.403 3.284 5 40 GGBB Cn1ccnc1[C@@](O)(CCNc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F 45802387 DAQHTWYZIVSOOY-ZDUSSCGKSA-N 378.738 3.234 5 40 GGBB CCOCCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 9426434 RRNLBUFXMTWLRH-UHFFFAOYSA-N 385.420 3.312 5 40 GGBB CCOC(=O)N[C@H](CC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 408979990 PDLPJCLEPNORFN-OAHLLOKOSA-N 387.392 3.419 5 40 GGBB O=C(Nc1ccc(-n2cccn2)nc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 32965954 KPWBLOVPSJHTGK-UHFFFAOYSA-N 378.392 3.028 5 40 GGBB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 24833951 OHUYUFRVOWXIHS-UHFFFAOYSA-N 387.823 3.413 5 40 GGBB COc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c([N+](=O)[O-])c1 8264970 CMZNMEFEOHDAEL-AWEZNQCLSA-N 383.404 3.212 5 40 GGBB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 16399879 DIXNZQZUFYGELB-VZJWBNGJSA-N 390.395 3.485 5 40 GGBB O=C(N[C@H](NCc1ccco1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 24302872 HZCRVGBRKQXVPF-ZDUSSCGKSA-N 392.626 3.404 5 40 GGBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(C)=O 224840581 KTBOZIJTKZTYDQ-UHFFFAOYSA-N 381.435 3.076 5 40 GGBB Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccccc3Br)[n+]2[O-])c1 4822626 GVPWNSRLKJJORE-UHFFFAOYSA-N 390.197 3.228 5 40 GGBB CS(=O)(=O)c1ccc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc1[N+](=O)[O-] 58297924 JOQSHOZJVXBIJK-SJLPKXTDSA-N 376.434 3.331 5 40 GGBB CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 57014514 YYSDBXGAWMCUJF-UHFFFAOYSA-N 389.202 3.322 5 40 GGBB CC(=O)c1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 6905911 NJCHBDDFIWOWBA-OAHLLOKOSA-N 387.779 3.195 5 40 GGBB COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OC 8134068 FUWMCMQCBPQHFF-UHFFFAOYSA-N 385.420 3.142 5 40 GGBB CNc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897815 ZDGQOPZRNWPNHA-UHFFFAOYSA-N 386.364 3.379 5 40 GGBB Cc1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)c([N+](=O)[O-])c1 409328613 YTQXNLAPZCOGNT-DAXSKMNVSA-N 384.304 3.443 5 40 GGBB CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077620 ZVPUHXNYFJCKRK-UHFFFAOYSA-N 380.422 3.136 5 40 GGBB C[C@@H](OC(=O)CSc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCCCC1 32910699 UPUYCFAMBFAOIC-CYBMUJFWSA-N 380.466 3.410 5 40 GGBB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 5657991 VWOATUHOIAJERM-HACGYAERSA-N 378.425 3.338 5 40 GGBB O=C(Oc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 17080086 XYXRZNPLIFKLBM-QZTJIDSGSA-N 392.367 3.270 5 40 GGBB CCOc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 15326853 JMXBZLPCRCVOJD-UHFFFAOYSA-N 378.450 3.431 5 40 GGBB O=c1nc(SCc2ccc([N+](=O)[O-])cc2)c2c(n1Cc1cccnc1)CCC2 4330209 KHRULPYNDYIRFU-UHFFFAOYSA-N 394.456 3.376 5 40 GGBB CCOC(=O)C1=C(O)C(=O)N(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(OC)cc1 20150117 FQBSJFICCIXUIJ-QGZVFWFLSA-N 398.371 3.067 5 40 GGBB CCOCc1ccc(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc1 24745344 WEZNTCDOJQJQOI-UHFFFAOYSA-N 380.404 3.247 5 40 GGBB Cc1ccc([C@@](O)(CCNC(=O)Nc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 12740487 WCDCSIYCSROQKZ-HNNXBMFYSA-N 387.314 3.458 5 40 GGBB Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccccc2F)cccc1[N+](=O)[O-] 68362393 DRPDDAJDVISTLN-MRXNPFEDSA-N 389.408 3.196 5 40 GGBB CC[C@@H]1CN(c2cc3ccc(Cl)nc3cc2[N+](=O)[O-])CCN1C[C@@H](C)O 89949221 COUVHWMTKHUUIE-TZMCWYRMSA-N 378.860 3.078 5 40 GGBB CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)OC(C)(C)OC2=O)[C@H]1c1ccccc1 5426883 JYTZUGJSRZWHSI-QGZVFWFLSA-N 396.399 3.151 5 40 GGBB COc1ccc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC 15700510 NTUPEOVWWQNLRT-UHFFFAOYSA-N 399.447 3.145 5 40 GGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1F 21508896 ZFEPRMOLUPTGNX-UHFFFAOYSA-N 375.175 3.297 5 40 GGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(OC(F)F)c1 3291827 LKKYDVFCKHKHJQ-UHFFFAOYSA-N 381.287 3.420 5 40 GGBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(C(F)(F)F)ccc1Cl 5039019 JZCUDNULCVPQCA-UHFFFAOYSA-N 375.690 3.067 5 40 GGBB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(F)cc1[N+](=O)[O-] 9156035 LPCHAMIIUOFQKK-AWEZNQCLSA-N 393.440 3.415 5 40 GGBB CCOc1ccc(CN(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC 29539398 CVDBGKIRHZWIBO-UHFFFAOYSA-N 397.435 3.350 5 40 GGBB O=C(O)C[C@@H](NC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 4580526 OXJWTIJAWAGOQY-CQSZACIVSA-N 393.193 3.303 5 40 GGBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Nc2cn[nH]c2)c([N+](=O)[O-])c1 36398130 BADUNXDIJPVYQD-UHFFFAOYSA-N 387.421 3.277 5 40 GGBB Cc1ccc([N+](=O)[O-])c(OCC(=O)NCC2(c3ccccc3)CCOCC2)c1 48366443 IORGNWMLAOORPY-UHFFFAOYSA-N 384.432 3.147 5 40 GGBB O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccccc2)CCCC1 3178017 ZGHNSRAKMOUHFI-RTWAWAEBSA-N 384.496 3.015 5 40 GGBB COc1ccc(-n2nnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1 4274055 MSNHUNUKRDBDAG-UHFFFAOYSA-N 394.416 3.420 5 40 GGBB C[C@@H]1CCCN(c2ccc(C(=O)N=c3[nH]c4ccccc4[nH]3)cc2[N+](=O)[O-])C1 6657417 DNWOAARLKRQULP-CYBMUJFWSA-N 379.420 3.382 5 40 GGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2ccccc2F)c1 7594290 IMYBOGMAOYQTBO-UHFFFAOYSA-N 397.362 3.205 5 40 GGBB COc1cc(OCC(=O)Nc2cccc(Br)c2)ccc1[N+](=O)[O-] 22259437 KBMPGAFHQJZEAU-UHFFFAOYSA-N 381.182 3.383 5 40 GGBB O=C(Oc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 108402843 XYXRZNPLIFKLBM-HDICACEKSA-N 392.367 3.270 5 40 GGBB Cc1c(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cccc1[N+](=O)[O-] 222553990 VQOXCKULWMKUOX-UHFFFAOYSA-N 389.433 3.086 5 40 GGBB Cc1cccc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 8902566 IJUKDBVDXNQFMJ-UHFFFAOYSA-N 385.420 3.066 5 40 GGBB Cc1cc(N[C@@H]2CCCN(c3ncccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 48235048 GPSWKLHEXUBJMO-MRXNPFEDSA-N 391.435 3.231 5 40 GGBB Cc1nc2[nH]n(-c3ccccc3)c(=O)c2c2c1c(=O)oc1ccc([N+](=O)[O-])cc12 20085958 LSBVKNCEZWHQAD-UHFFFAOYSA-N 388.339 3.190 5 40 GGBB Cc1noc2nc(C3CC3)cc(C(=O)NCCNc3ccccc3[N+](=O)[O-])c12 32870510 YPDNKYYAIIDPAJ-UHFFFAOYSA-N 381.392 3.159 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)c1 103155491 SZQUKSDPJDSYML-NCXUSEDFSA-N 394.383 3.362 5 40 GGBB CC(C)[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc2c(c1)OCCO2 24750000 WIGRZJOIAXMKIR-GOSISDBHSA-N 396.403 3.369 5 40 GGBB O=C(CSc1ccc(SC(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 1475701 XOVGPMSGEBCLDR-UHFFFAOYSA-N 382.385 3.158 5 40 GGBB Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)ccc1[N+](=O)[O-] 2093169 NSXFBBSQBKARFD-UHFFFAOYSA-N 391.430 3.169 5 40 GGBB COc1c([N+](=O)[O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 105393858 VCYUXGQXBKETBT-UHFFFAOYSA-N 396.699 3.326 5 40 GGBB O=C(NCc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 29882126 JJQNKXGCSDNORA-UHFFFAOYSA-N 389.839 3.010 5 40 GGBB Cc1cc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)ccc1[N+](=O)[O-] 8061598 OYIZIDFRNWDBSO-UHFFFAOYSA-N 377.404 3.333 5 40 GGBB COc1ccccc1NC(=O)C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 48362727 GTBKKCPFRPMLSA-UHFFFAOYSA-N 399.447 3.333 5 40 GGBB CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)CC 222397114 QZSOOHARUHXSPL-UHFFFAOYSA-N 391.449 3.332 5 40 GGBB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 96032768 CTGWOSCDHSRKIX-HZMBPMFUSA-N 393.469 3.454 5 40 GGBB NC(=O)c1cn(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 226368126 LNOHKHBKNWLNDP-UHFFFAOYSA-N 388.177 3.099 5 40 GGBB CNc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] 104706769 QNAGCIQGINTWDJ-RMRHIDDWSA-N 377.441 3.123 5 40 GGBB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccccc1[N+](=O)[O-] 4976635 RMUFXXJGFVPOJU-UHFFFAOYSA-N 398.379 3.284 5 40 GGBB O=C(CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1 45829201 IYPRGNVZXWVYPE-UHFFFAOYSA-N 380.360 3.008 5 40 GGBB O=C(COc1ccc(C(=O)O)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 13053729 IZMBXPYSTQWZFG-UHFFFAOYSA-N 384.266 3.329 5 40 GGBB Cc1cccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1C 5054825 BBGNQSYXFPGIHP-UHFFFAOYSA-N 393.399 3.254 5 40 GGBB COc1ccc(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 3514268 KWCCNGREWCXNSO-UHFFFAOYSA-N 378.768 3.361 5 40 GGBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCCC2)CC1 72328735 YDMKTXWFQCACHY-UHFFFAOYSA-N 383.452 3.075 5 40 GGBB CCN(c1cc(C(=O)OC)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224758678 HZUBDTCFKXKLMG-UHFFFAOYSA-N 398.824 3.250 5 40 GGBB Cc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 2711834 UBENHOFELAKMQW-UHFFFAOYSA-N 391.474 3.197 5 40 GGBB COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)[N+](C)(C)CC3)OCO2 4038603 NDEKLSGDZJXAAG-GVDBMIGSSA-N 392.516 3.054 5 40 GGBB O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 5156929 GKZHDDXZSJYHCL-ZDUSSCGKSA-N 396.856 3.061 5 40 GGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2cc(C)ccc2C)NC(=O)N1 6052545 JENZKXKIIAIRAE-SFHVURJKSA-N 380.404 3.478 5 40 GGBB O=C1S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1c1ccccc1 8398641 UHDOGMFMIUYZPC-QPEQYQDCSA-N 387.329 3.450 5 40 GGBB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 9726460 FDBAUHIRVGBTMX-UHFFFAOYSA-N 392.437 3.162 5 40 GGBB Cc1cccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)c1 13960326 SZQUKSDPJDSYML-RDGPPVDQSA-N 394.383 3.362 5 40 GGBB O=[N+]([O-])c1cc(F)ccc1N1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 23145345 DXCGDNYAYWISDR-UHFFFAOYSA-N 378.335 3.498 5 40 GGBB C[C@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 32638850 WGZIJPXXPOWGPT-JTQLQIEISA-N 388.767 3.080 5 40 GGBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCO[C@H](c3ccc(Cl)cc3)C2)c1 40153694 IYKIKJKJAKNLOC-MJGOQNOKSA-N 392.839 3.061 5 40 GGBB O=c1c2cc([N+](=O)[O-])ccc2ncn1C[C@H](O)c1cc(Cl)ccc1Cl 51264980 CJFTXOXBKNARBY-HNNXBMFYSA-N 380.187 3.345 5 40 GGBB O=C(NCC(=O)N1CCC(CCc2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 11453400 SEBJCFFGZCGUBV-UHFFFAOYSA-N 395.459 3.196 5 40 GGBB CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 46464947 HWFCLWMJRKXHKY-ZDUSSCGKSA-N 391.449 3.232 5 40 GGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1c(=O)oc2ccccc21 9050367 RGTRZIRYFRMMEX-UHFFFAOYSA-N 389.795 3.205 5 40 GGBB O=C(COc1ccccc1I)Nc1ccccc1[N+](=O)[O-] 31656290 CTIDSRLMMAKDHG-UHFFFAOYSA-N 398.156 3.217 5 40 GGBB CCOC(=O)c1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C 225091203 IHWUBLBRHFOWGM-UHFFFAOYSA-N 392.433 3.213 5 40 GGBB O=C(c1ccccc1)c1ccc(N(CCO)Cc2cccnc2)c([N+](=O)[O-])c1 72301712 WBVMVNXKRDKTHQ-UHFFFAOYSA-N 377.400 3.220 5 40 GGBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)cc1Cl 2780002 XHTCFJURPAIVBC-UHFFFAOYSA-N 381.728 3.426 5 40 GGBB NC(=O)c1ccc(COC(=O)CCC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 16748637 GPWMSOYIJCRSDQ-UHFFFAOYSA-N 390.779 3.053 5 40 GGBB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccccc1[N+](=O)[O-] 21509878 XYULWILMUWETPE-GFCCVEGCSA-N 398.350 3.104 5 40 GGBB CCOC(=O)c1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc(C)c1C 4623097 PORZCIYZIBPBIL-UHFFFAOYSA-N 380.426 3.065 5 40 GGBB O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cc(Cl)c2c(c1)OCCCO2 23055443 WNHCYEZZBHFHIJ-UHFFFAOYSA-N 376.752 3.366 5 40 GGBB O=C(O)c1ccc2c(=O)n3cc(C(=O)c4ccccc4O)cc(Cl)c3nc2c1 3418870 RVZKGVXQVXBSDW-UHFFFAOYSA-N 394.770 3.136 5 40 GGBB O=C(NCc1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14407417 FYLURQMMTXVGSM-UHFFFAOYSA-N 391.431 3.311 5 40 GGBB CCN(CC)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4853141 QPIVXBHUBXWVCG-UHFFFAOYSA-N 382.464 3.403 5 40 GGBB Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1[N+](=O)[O-] 95454068 OVXUYJWLCZMJKU-CRAIPNDOSA-N 387.823 3.258 5 40 GGBB COCCn1c(SCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)nc(C)c1C 48365747 LKHXUBZIUULNPB-UHFFFAOYSA-N 389.437 3.397 5 40 GGBB CC[C@@H](C)[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 24754679 VBDIPNFYUAFAEU-ACJLOTCBSA-N 396.399 3.349 5 40 GGBB Cc1c(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)noc1-c1ccc(F)cc1 14019316 URHBVYUEBBEJNJ-UHFFFAOYSA-N 380.335 3.456 5 40 GGBB COc1ccccc1[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)N(C)C 8019936 BVLAZOKHBWEBOX-LJQANCHMSA-N 398.463 3.210 5 40 GGBB COc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 5602341 IWEDEFZEPFIFLV-UHFFFAOYSA-N 391.449 3.395 5 40 GGBB CCCNC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 1816547 WLCYHSYMFFQJCC-UHFFFAOYSA-N 393.325 3.463 5 40 GGBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 12919941 QWTAPBKEECGPBX-IBGZPJMESA-N 383.448 3.015 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1cccc2ccccc12 223539321 XFWKABDCXBCKLD-UHFFFAOYSA-N 386.429 3.414 5 40 GGBB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 40154075 JRGPYHPYGAEUPU-MRXNPFEDSA-N 391.431 3.037 5 40 GGBB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 32752807 IGDJWOVNPHRAHL-UHFFFAOYSA-N 384.783 3.489 5 40 GGBB CN(CCOc1ccccc1F)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 24213989 JTAAJDAWKXHLBP-UHFFFAOYSA-N 387.411 3.485 5 40 GGBB O=C1C[C@H](C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CN1c1cccc(Cl)c1 58690145 DDLLLUPONYWRIK-ZDUSSCGKSA-N 385.807 3.190 5 40 GGBB C[C@@H](NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1)[C@@H]1C[C@H]2CC[C@H]1C2 102622452 HJRAEQKPMOWDLT-UGUYLWEFSA-N 384.436 3.382 5 40 GGBB COC(=O)c1cc(C(=O)OCc2coc(-c3cccs3)n2)cc([N+](=O)[O-])c1 6642037 XCHYDZGUMMQYPS-UHFFFAOYSA-N 388.357 3.455 5 40 GGBB O=C(CNC(=O)c1ccc(COc2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 408562658 RFHWSPYFALHEBD-UHFFFAOYSA-N 395.371 3.135 5 40 GGBB NC(=O)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1 225536587 TYONBRXUOBDKRC-UHFFFAOYSA-N 397.431 3.300 5 40 GGBB CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899826 LALVXJQNPJIYIQ-UHFFFAOYSA-N 377.422 3.077 5 40 GGBB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccnc3)n[nH]2)cc1[N+](=O)[O-] 5027619 FIRYZBXRGRTQJC-LLVKDONJSA-N 384.421 3.203 5 40 GGBB Cc1ccc(CSCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20454039 UTNAROFUVZURTJ-UHFFFAOYSA-N 380.491 3.256 5 40 GGBB O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1CCc1ccccc1 36366650 XKIIZOPJXZCSQR-UHFFFAOYSA-N 394.434 3.338 5 40 GGBB O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3878785 DBPRBUPBJQQWSV-UHFFFAOYSA-N 390.237 3.320 5 40 GGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 13847264 NTLBRXUWCRWLSP-UHFFFAOYSA-N 391.449 3.088 5 40 GGBB Cc1nn(Cc2c(C(=O)Nc3ccc(F)c(F)c3)noc2C)c(C)c1[N+](=O)[O-] 17079880 LLPVIMOGFXKSEU-UHFFFAOYSA-N 391.334 3.283 5 40 GGBB Cc1ccc2c(c1)C(C)(C)[C@]1(C=Cc3cc([N+](=O)[O-])ccc3O1)N2CC(N)=O 1069652 VJZRLAWGXDMHRR-OAQYLSRUSA-N 379.416 3.288 5 40 GGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 12846603 DCYOIZABNOOFMO-CABCVRRESA-N 396.447 3.352 5 40 GGBB COc1cc(CCNC(=O)c2cc3cc(C)ccc3[nH]2)c([N+](=O)[O-])cc1OC 32753160 AHWZIENCHGWEQP-UHFFFAOYSA-N 383.404 3.374 5 40 GGBB CN(CCc1cccc([N+](=O)[O-])c1)c1nc(O)c2cnn(-c3ccccc3)c2n1 509459034 HHQUOVWOXLZBEX-UHFFFAOYSA-N 390.403 3.108 5 40 GGBB