smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccccc1Nc1nc(Nc2cc(C)ccc2C)nc(C)c1[N+](=O)[O-] 5006127 DJQOIJIDQKJISU-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB O=C(Nc1ccccc1)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 59960867 JTTXAQMBBPSING-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB C[C@@H]1[C@H](c2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 79051297 VXTHNGAOOLRJNU-OXQOHEQNSA-N 377.444 4.670 5 40 GJBB COc1ccc(C(=C(Cl)Cl)c2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 2345589 NQNGDSCKVBDRIL-UHFFFAOYSA-N 399.186 4.715 5 40 GJBB Cc1ccc(-c2nc3ccccc3c(=O)n2/C=C/c2ccc([N+](=O)[O-])cc2)cc1 5546413 NHAZBTOENPYEJK-CCEZHUSRSA-N 383.407 4.908 5 40 GJBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccccc1Br 6660351 QHBXSNUYSRAFMO-UHFFFAOYSA-N 394.224 4.961 5 40 GJBB O=C(c1cccc([N+](=O)[O-])c1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254600 XSDVOBIANZDIFN-UHFFFAOYSA-N 387.823 4.501 5 40 GJBB CCCCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 12512086 XJKRRHUYNJGWPO-UHFFFAOYSA-N 381.476 4.645 5 40 GJBB O=[N+]([O-])c1cccc(NC(=S)Nc2cc3cccnc3c3cccnc23)c1 408975305 MARYFCWCRZYFSZ-UHFFFAOYSA-N 375.413 4.500 5 40 GJBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 5109441 QTNYYKIMMHDZRH-UHFFFAOYSA-N 380.425 4.764 5 40 GJBB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1[N+](=O)[O-] 32932992 DPSACFIXYWODEC-UHFFFAOYSA-N 388.836 4.693 5 40 GJBB Cn1ccnc1COc1ccc(/C=C/c2ccc3cccc([N+](=O)[O-])c3n2)cc1 40139686 TYAKTONVFUWTLL-WEVVVXLNSA-N 386.411 4.626 5 40 GJBB Cc1ccc(/C=C(/SCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 97998086 PPVVRKAOCPJODN-CXUHLZMHSA-N 386.454 4.829 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 44017748 OSKVYIKLFGBRKB-LLVKDONJSA-N 383.326 4.718 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cs1 7820540 ZYQJNMSNPVZBDG-UHFFFAOYSA-N 393.877 4.672 5 40 GJBB Cc1c(NC(=O)c2ccc(OCCc3ccccc3)cc2)cccc1[N+](=O)[O-] 8564202 ILROGWRGJPQCTD-UHFFFAOYSA-N 376.412 4.777 5 40 GJBB O=[N+]([O-])c1ccc(-c2noc(CN(Cc3ccco3)Cc3cccs3)n2)cc1 47406793 XCDKOZOWXLQRAP-UHFFFAOYSA-N 396.428 4.502 5 40 GJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 408624874 CYESYMDKILZQIH-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 409177404 DIXMBVACFIKGKN-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB Cn1c2ccc(Br)cc2c2cc(Br)cc([N+](=O)[O-])c21 2022164 BRZOKLIEMHOEKR-UHFFFAOYSA-N 384.027 4.765 5 40 GJBB Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 5299675 VANACRXLUFJGPQ-UHFFFAOYSA-N 393.424 4.953 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)s1 11917822 MRNCMPNIQHLSNF-JXFKEZNVSA-N 377.425 4.899 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cs1 12614251 XIECRHKNGAXPQJ-UHFFFAOYSA-N 387.848 4.610 5 40 GJBB Cc1cc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1Cl 14396396 PEKVLLCSCZXENS-LLVKDONJSA-N 383.231 4.924 5 40 GJBB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6979862 CWSUJPYTAIASAJ-UHFFFAOYSA-N 394.456 4.571 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 12776610 MGWHWHHJJXXSGN-AWEZNQCLSA-N 397.406 4.541 5 40 GJBB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 13881451 ILJKDIASLHKJCY-WQRHYEAKSA-N 398.440 4.619 5 40 GJBB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C(C)C 223264551 ARXKXSCJFXXHHU-SCOAYWHSSA-N 382.460 4.926 5 40 GJBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 408564055 XIAINESHVZLTJS-XDOYNYLZSA-N 399.447 4.587 5 40 GJBB O=[N+]([O-])c1cc2c(NCC(c3ccccc3)c3ccccc3)ncnc2s1 1651293286 HNNKQCFERXVEIT-UHFFFAOYSA-N 376.441 4.844 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1cccc(F)c1)CO2 20610075 PUWZVRXFQSCHJN-UHFFFAOYSA-N 389.426 4.788 5 40 GJBB biogenic O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[C@H](Nc2ccccc2)C1 58265499 FJEHYSBQJCFEIQ-LBPRGKRZSA-N 385.773 4.958 5 40 GJBB Cc1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(C)n1C 3430898 NVTUPWVPGVKDOP-UHFFFAOYSA-N 390.852 4.579 5 40 GJBB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 4597453 CUWXJOHDVASOOJ-UHFFFAOYSA-N 392.802 4.815 5 40 GJBB CCOc1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 17077287 FYHQCRXOAFTPQL-UHFFFAOYSA-N 377.809 4.509 5 40 GJBB Cc1ccc(-c2ccc(C(=O)n3c(C)c(CO)c4ccccc43)o2)c([N+](=O)[O-])c1 226767288 XOYVKJFMMBQJOZ-UHFFFAOYSA-N 390.395 4.607 5 40 GJBB CCCCOC(=O)c1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)cc1 408967498 SOYUGLMVXGJMEI-UHFFFAOYSA-N 382.372 4.550 5 40 GJBB O=c1c2ccccc2c2c1c1c3ccccc3c(=O)c1c1c3ccccc3c(=O)c21 1641953 HSMDIUMGCHZHNI-UHFFFAOYSA-N 384.390 5.000 5 40 GJBB CCOC(=O)Oc1cc2c(ccn2C)c2c1c1ccccc1n2C(=O)OCC 1641949 PNLRZSWKKFGKAV-UHFFFAOYSA-N 380.400 4.826 5 40 GJBB CSc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 6288986 MUAUAAFMJHJPIU-UHFFFAOYSA-N 378.453 4.836 5 40 GJBB S=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@H](c2ccccc2)C1 408974325 FCYMUFGAEPXWKS-SFHVURJKSA-N 384.508 4.969 5 40 GJBB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)nc2c1c(=O)oc1ccccc12 4108177 XCLYLSLAVYPHQZ-UHFFFAOYSA-N 398.340 4.921 5 40 GJBB O=c1[nH]c2c(s1)[C@@H](/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859717 SGYWDQXTPZOBCU-GRTIPHEESA-N 386.498 4.662 5 40 GJBB Cc1ccc(OCc2ccc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 25836355 NCHBNJFANKWBDK-MRXNPFEDSA-N 394.427 4.908 5 40 GJBB O=C1CC2(CCCCC2)Oc2cc(Oc3nc4sccn4c3[N+](=O)[O-])ccc21 62580979 YLZVKBPWYIDRJM-UHFFFAOYSA-N 399.428 4.764 5 40 GJBB Cc1c(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cccc1[N+](=O)[O-] 96194161 VLMSZQBXSFSDSY-UHFFFAOYSA-N 391.412 4.791 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 989921 YROMVRSKSQJAMU-YVEFUNNKSA-N 385.489 4.661 5 40 GJBB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])s1 3187566 BXDSPDAWDBNJAD-UHFFFAOYSA-N 397.437 4.891 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@@H](c1ccco1)N1CCCCC1 7780749 MMBQFCKHMLAAAQ-INIZCTEOSA-N 383.370 4.846 5 40 GJBB Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O 830409 KMQWEEZMAZFNQJ-UHFFFAOYSA-N 390.351 4.522 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2434148 USWYDYFEVUSZPD-MRXNPFEDSA-N 397.482 4.871 5 40 GJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Cl)cc1Cl 6025561 KUBDOFNVDRWVNQ-UHFFFAOYSA-N 382.228 4.753 5 40 GJBB Cc1ccc(OCc2ccc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1 25836360 NCHBNJFANKWBDK-INIZCTEOSA-N 394.427 4.908 5 40 GJBB COc1ccc([C@H]2CCCCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 65626430 BFFQMQRQRQQLOS-LJQANCHMSA-N 393.443 4.842 5 40 GJBB Cc1c(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cccc1[N+](=O)[O-] 408618900 HZPSYONIKUZKMV-UHFFFAOYSA-N 399.406 4.644 5 40 GJBB Cc1ccc(Nc2ccc(-c3nn(C)c(=O)c4ccccc34)cc2[N+](=O)[O-])cc1 5041014 DCBNXSIMMGCNGK-UHFFFAOYSA-N 386.411 4.561 5 40 GJBB Cc1ccc(-c2c[n+]3c(n2-c2cccc([N+](=O)[O-])c2)CCc2ccccc2-3)cc1 27546400 CGSAFVHHXCBRTD-UHFFFAOYSA-N 382.443 4.736 5 40 GJBB O=C(Nc1ccccc1OC(F)(F)C(F)F)c1cc([N+](=O)[O-])ccc1Cl 1069953 ACAPCUUSQQSDIP-UHFFFAOYSA-N 392.692 4.737 5 40 GJBB O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 3043658 OAEZEBCPBUBNSD-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)Cc1cccs1 3446753 NBDNVBFCQKSMTP-UHFFFAOYSA-N 376.821 4.745 5 40 GJBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1[N+](=O)[O-] 4176308 NTMGXBACGZGPDY-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 4256129 ICDUNZVASIMUOE-XNTDXEJSSA-N 383.407 4.773 5 40 GJBB COc1ccccc1C(=O)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 6660263 SVOXBNGUBDEDCZ-UHFFFAOYSA-N 379.799 4.861 5 40 GJBB O=[N+]([O-])c1ccc2c(cnn2CN2CCCC[C@H]2c2nc3ccccc3s2)c1 23856001 IHNFJPLIFLPTOL-SFHVURJKSA-N 393.472 4.739 5 40 GJBB O=[N+]([O-])c1ccccc1N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1 12551094 XMRWCTVMWLRNMJ-UHFFFAOYSA-N 384.823 4.682 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(NCc3ccccn3)c([N+](=O)[O-])c2)n1 20897635 WKZCASYRPMOKLQ-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB Cn1ncc2c(-c3ccc(C(F)(F)F)cc3)c3oc4cc(O)cc(O)c4c3nc21 524733155 ZLLNBKFPXRJNOJ-UHFFFAOYSA-N 399.328 4.965 5 40 GJBB Cn1c(Sc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1 708802 NFXCSNZGUWSLTN-UHFFFAOYSA-N 380.351 4.560 5 40 GJBB O=[N+]([O-])c1cc2c(c(CSCc3cccc(Br)c3)c1)OCOC2 32794341 BFKHWBYUJDAUJH-UHFFFAOYSA-N 396.262 4.657 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1cc(C)c(Cl)c(C)c1 4368169 GNTROYZPVRGCSJ-UHFFFAOYSA-N 392.839 4.671 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(N(C)c2ccccc2)nc1C 22245491 JCFYQAPGFMZYOY-UHFFFAOYSA-N 382.445 4.688 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2434020 LLCPIJVKESKLJI-OAHLLOKOSA-N 383.455 4.563 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1cccc2cccnc12 4182022 MBAUGHRDPOKDJS-UHFFFAOYSA-N 377.322 4.653 5 40 GJBB Cc1ccc2c(c1)c1nc3ccccc3nc1n2CC(=O)OCc1ccccc1 5015267 AQVAXPADWDACNT-UHFFFAOYSA-N 381.435 4.790 5 40 GJBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC 408559572 WDBXHGCWJHVDIB-UHFFFAOYSA-N 395.253 4.767 5 40 GJBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc([N+](=O)[O-])c1 408628862 FBPDTUONHQSOGL-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409021248 ZMFBTCLIXMAFLF-VAKHEIKFSA-N 386.429 4.998 5 40 GJBB Cc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 5066124 JMDFKVNPPMDEOO-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB COc1cccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)c1 5514814 OBMGCFLPYDPAHD-UHFFFAOYSA-N 380.381 4.500 5 40 GJBB Cc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1[N+](=O)[O-] 10120053 LWIBAGPJQVMMPQ-UHFFFAOYSA-N 387.395 4.888 5 40 GJBB Cc1ccnc([C@@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 89701896 UUYGYZXEDFLXMV-AWEZNQCLSA-N 386.761 4.929 5 40 GJBB C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 222905246 RAQKLCINPBWFLJ-HNNXBMFYSA-N 384.501 4.584 5 40 GJBB O=C(NCCSCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 408563006 HNBNGTSENQWVDT-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB CCN(CC)C[C@@H](OC(C)=O)c1ccc2ccc3ccc(OC(C)=O)cc3c2c1 1594891 CQEYFYDSZBGCCW-XMMPIXPASA-N 393.483 4.864 5 40 GJBB O=C(/N=c1/[nH]c2ccc3ccccc3c2s1)c1cc([N+](=O)[O-])ccc1Cl 6864926 BPWLEFNREPJHBK-UHFFFAOYSA-N 383.816 4.685 5 40 GJBB C[C@@]1(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)CC1(Cl)Cl 3510332 RVUNMYRAWUJKBK-SFHVURJKSA-N 377.223 4.573 5 40 GJBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 4783841 SSLNCXMSSNVJRE-UHFFFAOYSA-N 393.346 4.989 5 40 GJBB O=C(NCc1ccc(F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 22516607 FCGHNLNIZVOTIM-KGENOOAVSA-N 376.387 4.591 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409337504 VUPOFQHXECKPIB-NYVOZVTQSA-N 386.407 4.764 5 40 GJBB O=[N+]([O-])c1cc(SCc2ccc(Cl)cc2)c2c(C3OCCO3)noc2c1 1069819 VGEPFPAAQXLWJI-UHFFFAOYSA-N 392.820 4.727 5 40 GJBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 58416992 LVODCAWSZADQIW-INIZCTEOSA-N 387.439 4.798 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 248255492 SBVFBOOYRSILTP-SIDKUJJXSA-N 394.427 4.598 5 40 GJBB COc1ccc(-c2ccc(-c3nc(O)c4c(C)c(C)sc4n3)o2)c([N+](=O)[O-])c1 408734940 LSVSONUWXWEEJW-UHFFFAOYSA-N 397.412 4.858 5 40 GJBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1[N+](=O)[O-] 6527406 FVMSPQCRHNUMDR-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 8115162 QLZHEGSMEUHHMT-HXUWFJFHSA-N 378.453 4.753 5 40 GJBB COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)cc1Cl 72229479 QHZCIVZCPJMSSW-UHFFFAOYSA-N 375.595 4.816 5 40 GJBB Cc1ncsc1C(=O)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 89565486 XKGYSUTWZGRELT-UHFFFAOYSA-N 377.472 4.825 5 40 GJBB O=[N+]([O-])c1ccc(NN2[C@H]3CC[C@@H]2c2c(ccc4ccccc24)O3)c([N+](=O)[O-])c1 5280486 UFSNMHRUVAYRIG-VQIMIIECSA-N 392.371 4.539 5 40 GJBB Cc1ccccc1COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N=C1O 16713218 ZAQTWWMAIBBVHR-SXGWCWSVSA-N 386.454 4.811 5 40 GJBB Cc1nn(-c2ccccc2)c(O)c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 100848894 PTDGABKAFAMBPE-OAHLLOKOSA-N 392.242 4.602 5 40 GJBB O=[N+]([O-])c1cc(Br)c(NC2CCCCC2)c(Br)c1 226316881 ATVKNQLTTZPBJN-UHFFFAOYSA-N 378.064 4.864 5 40 GJBB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 1534033031 HSMWLMLBJYSXJZ-AWEZNQCLSA-N 383.835 4.995 5 40 GJBB O=C(CSc1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4496723 NERIGTKDPRHNLS-UHFFFAOYSA-N 389.433 4.588 5 40 GJBB C[N+]1(C)CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 4937117 WUCYGYDCOMQTKB-DEOSSOPVSA-N 398.530 4.950 5 40 GJBB Cc1ccc(F)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1 9220857 VVZAEYDQPYACAD-UHFFFAOYSA-N 394.406 4.837 5 40 GJBB O[C@@H](COc1ccc(Cl)cc1Cl)C[N+]1(Cc2ccccc2)CCCC1 41690093 IDZJKOWCJICEKX-GOSISDBHSA-N 381.323 4.544 5 40 GJBB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1C 408623842 SJQGFLWDCSHKLC-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCC1 408976165 PXNPSOWQDOQXOK-UHFFFAOYSA-N 393.450 4.506 5 40 GJBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1Cl 408998421 LVMGPPDPHCBOJQ-UHFFFAOYSA-N 375.837 4.894 5 40 GJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)C(C)(C)C)cc1 12844717 IIPWCGMHVNETTQ-UHFFFAOYSA-N 387.457 4.826 5 40 GJBB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 106702177 DPIHKVCEZCNHNT-SXGWCWSVSA-N 388.832 4.793 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1Cl 134273432 WXGQHCQAUKLLMS-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 6263850 AUWPECRRJJNBLG-UHFFFAOYSA-N 396.230 4.893 5 40 GJBB CCn1c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 6652848 GRKQNZSNWYCSOY-LBPRGKRZSA-N 395.444 4.868 5 40 GJBB Cc1c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)cccc1[N+](=O)[O-] 42730512 BACIAAAIFQOTBQ-UHFFFAOYSA-N 399.834 4.718 5 40 GJBB O=[N+]([O-])c1ccc(NCCOc2cccc3cccnc23)c(C(F)(F)F)c1 59475464 BEQGKUDKWUGTQM-UHFFFAOYSA-N 377.322 4.653 5 40 GJBB COc1ccccc1Nc1nc(Nc2ccc(C)cc2C)nc(C)c1[N+](=O)[O-] 4359186 VROLJCNEYGMPOL-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 19159164 JVKUHROWFKVYMG-UHFFFAOYSA-N 378.228 4.885 5 40 GJBB CC(C)(C)OC(=O)Nc1cccc(-n2cncc2-c2ccc([N+](=O)[O-])cc2)c1 585295225 QTEDMTUDBDMTCG-UHFFFAOYSA-N 380.404 4.795 5 40 GJBB COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(C)cc1 6845232 NSGXBENJNSTFNW-BQYQJAHWSA-N 378.222 4.593 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 15646840 JOTWWZFJSJCOEQ-HNNXBMFYSA-N 387.848 4.835 5 40 GJBB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17078684 NNTIOJIHTNLRCY-GFCCVEGCSA-N 385.445 4.736 5 40 GJBB O=C(c1ccccc1)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 6561701 POFNEUZCMOGWOC-UHFFFAOYSA-N 387.351 4.668 5 40 GJBB CCCOc1ccccc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 7997624 RKXCLTJCQCEYSQ-UHFFFAOYSA-N 397.456 4.683 5 40 GJBB C[C@H]1C[C@@H](C)CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C1 226316565 UZJPAJAZYPYEOS-DTORHVGOSA-N 392.091 4.602 5 40 GJBB CCOc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1 6207169 XHVIKHBARUCBTH-CMDGGOBGSA-N 378.222 4.674 5 40 GJBB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C 22245496 NOVBKZUXYLBKLO-UHFFFAOYSA-N 382.445 4.688 5 40 GJBB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] 215018659 PQUSNCZUVBZTES-XDHOZWIPSA-N 390.420 4.985 5 40 GJBB O=Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc12 226767357 MBAFWHXBWKOGLF-UHFFFAOYSA-N 394.770 4.964 5 40 GJBB CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408565210 BHSGOBATOVJMBD-IBGZPJMESA-N 382.489 4.557 5 40 GJBB CCc1c(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2)oc2cc(C)c(C)cc12 526052234 HQEGAMYZBAFUQM-UHFFFAOYSA-N 396.399 4.559 5 40 GJBB CCn1c(CNc2ccc(C)cc2C)nnc1SCc1ccc([N+](=O)[O-])cc1 899196 LWYNCCMTLFTBKO-UHFFFAOYSA-N 397.504 4.727 5 40 GJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2312917 FRKMOJFGGOKWAU-UHFFFAOYSA-N 397.482 4.782 5 40 GJBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1 5005847 JHQWUKNTPSJOIC-UHFFFAOYSA-N 378.340 4.698 5 40 GJBB C[C@H]1CCCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc23)C1 5024756 YKCQCHFXGLUNJZ-NSHDSACASA-N 387.827 4.764 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)cc1 409000231 NAIPVNJRWRTNCJ-BVSLBCMMSA-N 387.395 4.974 5 40 GJBB COc1cccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc12 4079235 XVXSYVZXROZHDD-UHFFFAOYSA-N 385.426 4.680 5 40 GJBB CC1CCN(c2ccc(C(=O)N[C@@H]3CCCc4ccccc43)cc2[N+](=O)[O-])CC1 5688508 XIZYHCODSTXHLN-HXUWFJFHSA-N 393.487 4.639 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408622453 QJNUKOSLSBZNIJ-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 975779 HPWQDDLOXHUOOD-UNOMPAQXSA-N 390.420 4.985 5 40 GJBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 8156872 UGEUUXWHJUEJPV-MRXNPFEDSA-N 379.460 4.567 5 40 GJBB O=[N+]([O-])c1ccc2nc(SCc3cc4c(cc3Cl)OCO4)sc2c1 44867298 HSQWBRREUSUZGY-UHFFFAOYSA-N 380.834 4.879 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409000899 YYCNKZGNIUCPNS-NYVOZVTQSA-N 387.395 4.974 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409337503 VUPOFQHXECKPIB-COPCDDAFSA-N 386.407 4.764 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)N1CCCCC1)c1ccc(Cl)cc1 10254562 ZKNQJNASSSOBKG-UHFFFAOYSA-N 387.823 4.501 5 40 GJBB CCOc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC 3430892 KODKXMIHFBGYML-GFCCVEGCSA-N 392.839 4.537 5 40 GJBB COc1oc([C@@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 2105913 GQKXCBCSVYJUMI-SCIMTOFYSA-N 397.427 4.665 5 40 GJBB biogenic,in-vitro CCCCCn1cc(OC(=O)CC)c2c1nc(CC)n1c3ccccc3nc21 5485635 WCHXUCOWGXLXNX-UHFFFAOYSA-N 378.476 4.905 5 40 GJBB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12652110 LJPSUURMXWKBEB-UHFFFAOYSA-N 394.456 4.926 5 40 GJBB Cc1ccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409100218 TVBGHMMMTOGDPD-UHFFFAOYSA-N 394.378 4.962 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1c(Cl)cccc1Cl 4679305 QLQNGYKSZYCQBF-UHFFFAOYSA-N 377.231 4.914 5 40 GJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 15539100 DMZPOJKNKGWJDG-AWEZNQCLSA-N 387.848 4.835 5 40 GJBB Cc1nc(CNc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])ccc1[C@H](C)O 95455222 GMWVNHANKNUJGR-VIFPVBQESA-N 389.761 4.636 5 40 GJBB Cc1cc(Cl)ccc1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)o1 19929280 YMRAHWPCZIHNKV-UHFFFAOYSA-N 391.836 4.811 5 40 GJBB C[C@@H](Sc1nnc(-c2nnc(-c3ccccc3)o2)o1)c1cccc([N+](=O)[O-])c1 32922484 XKXDVAASNSLYJU-LLVKDONJSA-N 395.400 4.548 5 40 GJBB O=C(c1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4363463 LVPINRWVXQAKSJ-UHFFFAOYSA-N 378.350 4.713 5 40 GJBB O=c1[nH]c(-c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)nc2ccccc12 6610179 FYGNZJIJDWXEFQ-UHFFFAOYSA-N 396.406 4.501 5 40 GJBB CC(C)Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1F 9594009 VXEQAFOGZCXTBO-UHFFFAOYSA-N 386.452 4.941 5 40 GJBB C[C@H](Nc1ccc(C(=O)N2CCCCCCC2)cc1[N+](=O)[O-])c1ccccn1 52937978 SSVFNCKSAMQQLQ-INIZCTEOSA-N 382.464 4.569 5 40 GJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 72228865 XOQWODDEBRUUEC-UHFFFAOYSA-N 383.231 4.844 5 40 GJBB O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Br)o1 72229446 GJUKJJZCIYLPQL-UHFFFAOYSA-N 379.981 4.509 5 40 GJBB CC(C)c1nccn1Cc1cccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1 79020685 XYUDIJPPFULIJU-UHFFFAOYSA-N 398.850 4.869 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(Cl)c1 12655556 FGYZPFTXZQTJRL-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB Cc1ccc([C@@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12537755 FLDZQEQWXWMRPI-QFIPXVFZSA-N 396.490 4.827 5 40 GJBB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(Cl)c1 408627129 KMFWOWOOMYGPQW-UHFFFAOYSA-N 398.271 4.645 5 40 GJBB Cc1ccc2oc3nc(C)c(C(=O)Nc4ccc(Cl)cc4)cc3c(=O)c2c1 1390938 NTLMVCIARBPXIO-UHFFFAOYSA-N 378.815 4.864 5 40 GJBB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc([N+](=O)[O-])cc1 3045102 TWLGHEZQUPSHIF-UHFFFAOYSA-N 386.367 4.564 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2Cl)cc1 26805877 PSIBTWYGAVQNTF-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB Cc1ccc(C(=O)COc2ccc(-c3cnc4ccccc4n3)cc2)cc1[N+](=O)[O-] 39411919 ZDFGRJVRZPCSAS-UHFFFAOYSA-N 399.406 4.775 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccc(F)cc1)CO2 54278191 FSHABDYCVSYYNZ-UHFFFAOYSA-N 375.399 4.746 5 40 GJBB biogenic CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106741083 XQKCMMLVDGAOCF-WQRHYEAKSA-N 398.440 4.619 5 40 GJBB CC(C)c1ccc(NC(=O)/C=C/c2cnc(-c3cccc([N+](=O)[O-])c3)nc2)cc1 107719759 QRWFYJHGVVFVNA-IZZDOVSWSA-N 388.427 4.827 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1CO 322547414 USFWLACKPAJWCR-UHFFFAOYSA-N 392.127 4.661 5 40 GJBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccccc1[N+](=O)[O-] 408532875 POUPFGBJYAULLP-UHFFFAOYSA-N 397.390 4.938 5 40 GJBB Cc1ccc2nc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)c(N)c3cc2c1 1222375 CXPMJFRGXLEQPB-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 8587063 PQBRGLCDFSQZSU-UHFFFAOYSA-N 378.432 4.857 5 40 GJBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc([N+](=O)[O-])ccc1Cl 21577105 LWPWJXAILJLKRX-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB O=[N+]([O-])c1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)c(Cl)c1 96193807 KFHVYTQNCIYRKG-UHFFFAOYSA-N 397.803 4.828 5 40 GJBB Cc1cccc(NC(=O)COc2ccccc2CNc2cccc([N+](=O)[O-])c2)c1 408554306 CGYJAMYTPFEQJA-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB O=[N+]([O-])C[C@@H](c1ccc2c(c1)OCO2)c1c(-c2ccccc2)[nH]c2ccccc12 1463190 YMCKYFOWGLHVHB-SFHVURJKSA-N 386.407 4.972 5 40 GJBB Cc1cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)ccc1[N+](=O)[O-] 20140946 CAWHSFGRZODMPY-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33731259 UXWXLQIBLZCDTM-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 65489084 HILNFTBNNZCNMD-UHFFFAOYSA-N 385.807 4.608 5 40 GJBB COc1cc2sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl 6441334 QGLZYWJLEDURLI-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC 408617506 CMPXOBLNAMKSIP-UHFFFAOYSA-N 392.839 4.996 5 40 GJBB CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1NC(C)=O 3617457 RIPZRJFTUHMCMW-UHFFFAOYSA-N 396.490 4.693 5 40 GJBB O=c1cc(CSc2nnc3n2CCCCC3)c2c(ccc3ccccc32)o1 6097599 ZIMGCJNHDFTLAW-UHFFFAOYSA-N 377.469 4.556 5 40 GJBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C)c1-c1ccccc1 937379 CSYLCLFCNYMLQB-UHFFFAOYSA-N 396.424 4.671 5 40 GJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 2305432 MOXKLYYDDSZCGF-UHFFFAOYSA-N 397.482 4.646 5 40 GJBB Cc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 7042353 YNBFKFVHRNDFBG-GFCCVEGCSA-N 381.354 4.670 5 40 GJBB O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 7787252 LGHUQWNQMAGHDP-UHFFFAOYSA-N 391.449 4.855 5 40 GJBB COc1cc(NC(=O)c2cc3ccccc3c3cccnc23)cc(OC)c1OC 40105208 IULPWAVQVNDHLB-UHFFFAOYSA-N 388.423 4.666 5 40 GJBB Cc1ccn2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3ccc(F)cc3)nc2c1 4790941 SQLYMDWRVNLJAQ-UHFFFAOYSA-N 390.374 4.609 5 40 GJBB CCOc1ccc(OCC)c(C(=O)CC[N+](C)(C)Cc2cc(C)cc(C)c2)c1 5316694 JHJCYMCWTLUCIT-UHFFFAOYSA-N 384.540 4.950 5 40 GJBB COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOCc1ccccc1 5350110 BQBFWDOYPWIVKP-UHFFFAOYSA-N 383.451 4.963 5 40 GJBB CC1(C)CCc2c(c(O)cc3oc4cc(O)c5c(c4c(=O)c23)OC(C)(C)CC5)O1 85945801 NAONXHGSDQDBNY-UHFFFAOYSA-N 396.439 4.565 5 40 GJBB biogenic,in-vitro Cc1ccc(-n2c(C3CCCCC3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2438773 DAICPOKCNDEURG-UHFFFAOYSA-N 386.451 4.848 5 40 GJBB CCc1c(C)sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C(=O)OC(C)C 5477155 MGWLOVWZAJCVON-UHFFFAOYSA-N 390.461 4.653 5 40 GJBB CSc1cccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 6152590 ORKIPHCZOSAAEQ-CQSZACIVSA-N 385.489 4.805 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12510875 SUGFYNQSPSUPNN-UHFFFAOYSA-N 394.258 4.757 5 40 GJBB Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)s1 6789921 MLDLKQAYRWBGSH-UHFFFAOYSA-N 380.469 4.850 5 40 GJBB CCOc1ccc(C(=O)Nc2nc3c(Cl)cccc3s2)cc1[N+](=O)[O-] 9426163 SYZPPOZKSNCHIJ-UHFFFAOYSA-N 377.809 4.509 5 40 GJBB CC1(C)C=Cc2c(cc3oc4c(O)c5c(cc4c(=O)c3c2O)C=CC(C)(C)O5)O1 14684034 ZMJXZBDITYZMTK-UHFFFAOYSA-N 392.407 4.726 5 40 GJBB biogenic,in-vitro Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 5750590 HIZRSSXSGSGVOQ-UHFFFAOYSA-N 385.445 4.654 5 40 GJBB O=c1[nH]c(-c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)nc2ccccc12 6609795 FEDWDJZFAJPCER-UHFFFAOYSA-N 396.406 4.501 5 40 GJBB O=C(O[C@H]1CCCCC1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 7433119 PPLKZUYKWRISFF-SFHVURJKSA-N 389.791 4.709 5 40 GJBB Cc1c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cccc1[N+](=O)[O-] 15525353 NVZXUXLHHUDHOQ-UHFFFAOYSA-N 393.424 4.703 5 40 GJBB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 17078685 NNTIOJIHTNLRCY-LBPRGKRZSA-N 385.445 4.736 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] 32825475 MYGJADKHBYRLRN-KRWDZBQOSA-N 394.258 4.505 5 40 GJBB O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cccc2c(Cl)cccc12 408620556 JZNBTJUKSQNHCB-UHFFFAOYSA-N 385.832 4.528 5 40 GJBB CC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1053199 UDXCLFAWEUHRMP-ACCUITESSA-N 376.368 4.709 5 40 GJBB O=C(Nc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2766434 COMQVBOZIDRTBW-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(Cl)c1 57568246 TUUWKXRWZXRQBB-SNVBAGLBSA-N 383.231 4.619 5 40 GJBB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 1939437 SZLIQOYKTQRGQT-UHFFFAOYSA-N 384.432 4.637 5 40 GJBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1c2ccccc2Sc2ccccc21 4793758 DPTYMDFGTKGVEA-UHFFFAOYSA-N 393.380 4.946 5 40 GJBB O=[N+]([O-])c1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc12 6510803 ZKKYDTVURHCPLY-FNORWQNLSA-N 399.200 4.805 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] 72229940 GEFWARBTLLNVSU-LJQANCHMSA-N 382.803 4.582 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CCCCC1)C1CCCCC1 408583703 WTGZXQMAPUFRHB-UHFFFAOYSA-N 389.496 4.509 5 40 GJBB Cc1ccc(C)c(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 4479495 DHVXOUIIPYCPRC-UHFFFAOYSA-N 394.412 4.729 5 40 GJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3[N+](=O)[O-])o2)cc1C 6256226 HZLFYALPPBIGDF-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB Cc1cccc(C(=O)NCc2ccccc2COCc2ccccc2)c1[N+](=O)[O-] 32925088 ZBPXEZLBBDILTO-UHFFFAOYSA-N 390.439 4.550 5 40 GJBB O=[N+]([O-])c1nc(Sc2ccccc2)n(C(c2ccccc2)c2ccccc2)n1 5111622 HUCJDDWCEDSMFX-UHFFFAOYSA-N 388.452 4.975 5 40 GJBB CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 5577242 FBLZAWLFOCCAJB-UHFFFAOYSA-N 394.431 4.514 5 40 GJBB Cc1cc2oc(NCc3ccccc3)c(-c3cccc([N+](=O)[O-])c3)c2c(=O)o1 6755862 NSPVLSUCLFQHBY-UHFFFAOYSA-N 376.368 4.882 5 40 GJBB O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1 9422519 SNURTYIDUMHJSY-FQEVSTJZSA-N 377.375 4.501 5 40 GJBB Cc1cc(C(=O)NC(=S)N(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 6399979 AGOWCKILHCRQNB-UHFFFAOYSA-N 391.452 4.756 5 40 GJBB O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)ccc1F 226862718 IJGAZEMKNVMANO-UHFFFAOYSA-N 379.409 4.549 5 40 GJBB CC(=O)c1cccc(NC(=O)[C@@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 5869432 JHPSAFMXESONAM-NRFANRHFSA-N 390.395 4.556 5 40 GJBB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cccc1[N+](=O)[O-] 12928525 GOPYPDVVTSFXTN-UHFFFAOYSA-N 379.441 4.768 5 40 GJBB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 29111160 TWDKVSQFMAVACF-UHFFFAOYSA-N 387.745 4.585 5 40 GJBB CCCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225860064 PETCEZJBVCOTMW-UHFFFAOYSA-N 397.475 4.928 5 40 GJBB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 1505830 ZWPGRQUNNWHSTG-UHFFFAOYSA-N 377.331 4.794 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCc2ccccc2)cc1 8564213 VGLIAOIJKUNOPZ-UHFFFAOYSA-N 380.375 4.608 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc2ccccc12)c1ccccn1 27662771 UZDHVHYCYUQGEA-UHFFFAOYSA-N 383.407 4.990 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229948 FDTOWNHTAPBPDU-FQEVSTJZSA-N 396.830 4.891 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCSc1ccc(Cl)cc1 10218168 OXROBVQORDNSNC-UHFFFAOYSA-N 380.853 4.768 5 40 GJBB CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCCCC1 2337512 NHUPHSLWTIFEJA-UHFFFAOYSA-N 393.531 4.876 5 40 GJBB C[C@@H](Oc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 12653935 JQHFZDNWXXVBBR-SNVBAGLBSA-N 390.193 4.547 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 72229944 OGHRWSBIYRJGJH-LJQANCHMSA-N 382.803 4.582 5 40 GJBB S=C(Nc1cc2ncccc2c2cccnc12)N1CC[C@H](c2ccccc2)C1 408974658 GFXMPRMQBQVCTA-KRWDZBQOSA-N 384.508 4.969 5 40 GJBB COc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 2284918 MUSCZUWWGYLVIU-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 6495450 IAOWWCUGZWREHB-UHFFFAOYSA-N 398.227 4.529 5 40 GJBB CCn1c2ccccc2c(=O)c2c1nc(-c1ccco1)n1c3ccccc3nc21 5322867 WURVTCZSWJXUDX-UHFFFAOYSA-N 380.407 4.631 5 40 GJBB Cc1ccc(C)c(Oc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)c1 6922595 KWIYIFWYRGGOGZ-KDURUIRLSA-N 394.427 4.684 5 40 GJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2ccc(CO)o2)cc1 20145109 WHROATDXPCTBAD-WTDSWWLTSA-N 398.802 4.652 5 40 GJBB O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1ccc(Cl)cn1)c2c34 98087116 GLQMCBITIZXOKP-UHFFFAOYSA-N 398.805 4.890 5 40 GJBB CC(C)(C)NC(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408974982 IFBMJEQPQSNWQL-UHFFFAOYSA-N 396.454 4.799 5 40 GJBB Cc1ccc(N[C@@H](C[N+](=O)[O-])c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 3282584 PQHXDCHDEDTJNC-QFIPXVFZSA-N 399.454 4.673 5 40 GJBB COc1cc(/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)ccc1OC(F)F 6410455 ZVNANCJKVJAQIG-XVNBXDOJSA-N 378.356 4.985 5 40 GJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1 5021721 VJZHNWBOHQQNAI-UHFFFAOYSA-N 397.482 4.502 5 40 GJBB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 5382979 IYYJIAJNEXBTPF-JOCHJYFZSA-N 386.411 4.523 5 40 GJBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 8393231 CYKOEFZJRKDUKV-JTQLQIEISA-N 375.837 4.691 5 40 GJBB O=[N+]([O-])c1ccc(N2CCCCC2)c([C@@H]2OCCCN2Cc2ccccc2)c1 59489905 AGTVEJCSONCKON-QFIPXVFZSA-N 381.476 4.506 5 40 GJBB Cc1ccn2cc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])c(C)s4)cc3)nc2c1 84250808 YKLAXKMWJUQTDA-UHFFFAOYSA-N 392.440 4.840 5 40 GJBB Cc1nc2ccc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cc2s1 11248774 JBDHSYLLTDCLJO-UHFFFAOYSA-N 399.475 4.712 5 40 GJBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408619438 CBUAGHKENWFECK-UHFFFAOYSA-N 383.360 4.856 5 40 GJBB Cc1[nH]nc(O)c1C(c1c(O)n[nH]c1C)c1c2ccccc2c(C)c2ccccc12 408918199 HNOWJVLMRWLURB-UHFFFAOYSA-N 398.466 4.956 5 40 GJBB C[C@@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O2 2687608 TVSOLXAZAHLXCF-CXAGYDPISA-N 394.214 4.671 5 40 GJBB O=[N+]([O-])c1c(Sc2ccc(F)cc2)ncnc1Sc1ccc(F)cc1 8716937 TZNSJZLXHLLFDI-UHFFFAOYSA-N 377.397 4.965 5 40 GJBB C[C@H](Oc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 12653939 JQHFZDNWXXVBBR-JTQLQIEISA-N 390.193 4.547 5 40 GJBB CCN(CCC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1)CC(C)C 95459669 QUHRABZYRDXFOQ-UHFFFAOYSA-N 390.528 4.515 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 855679 RUDFFERGFQHSOJ-PXAZEXFGSA-N 385.489 4.661 5 40 GJBB COc1cc(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)cc(OC)c1OC 1722558 DGADEUZXQRZXPM-UHFFFAOYSA-N 389.407 4.779 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1-c1cccs1)c1ccc2c(c1)CCO2 8849692 XZUCCPIVMGMJJF-UHFFFAOYSA-N 381.409 4.520 5 40 GJBB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12062432 QFIBSOSDWWBSFK-UARRHKHWSA-N 396.446 4.583 5 40 GJBB CC(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)(c1ccccc1)c1ccccc1 12775586 DJESOVNBDUGJPB-UHFFFAOYSA-N 394.858 4.984 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 855674 MDEUHEHZLQMQGD-GTNSWQLSSA-N 385.489 4.661 5 40 GJBB CC(C)N(Cc1ccc(N2CCC[C@H]2C)nc1)Cc1c(F)cccc1[N+](=O)[O-] 89929877 QHEMZVLFCZKFPQ-MRXNPFEDSA-N 386.471 4.528 5 40 GJBB CCCCCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3122762 TTXKCKNWOOHSGU-CQSZACIVSA-N 396.702 4.790 5 40 GJBB CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 4182629 QHWSETITLCRODQ-UHFFFAOYSA-N 383.448 4.626 5 40 GJBB CSc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 5299269 USARMQWETDPAGZ-UHFFFAOYSA-N 379.850 4.832 5 40 GJBB Cc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 8587167 ZESNBCMGPCRHCL-UHFFFAOYSA-N 378.432 4.857 5 40 GJBB CC(C)[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 57580678 OKKHYXRDXGYHAE-GOSISDBHSA-N 396.274 4.827 5 40 GJBB COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c([N+](=O)[O-])c1 6642274 WOMWRDFFGPHHRZ-ZZXKWVIFSA-N 397.214 4.571 5 40 GJBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1Cl 21577114 PEXNORBLMLNVOV-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB O=C(Cc1csc(-c2ccccc2Cl)n1)N1CCc2ccc([N+](=O)[O-])cc21 29889520 UEWHENHJUUHFHX-UHFFFAOYSA-N 399.859 4.504 5 40 GJBB C[C@@H]1[C@@H](c2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 79051312 VXTHNGAOOLRJNU-UZLBHIALSA-N 377.444 4.670 5 40 GJBB Cc1ccccc1Nc1nc(COc2c(Cl)cncc2[N+](=O)[O-])cs1 506575839 CROHLQYBWISALT-UHFFFAOYSA-N 376.825 4.731 5 40 GJBB CCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 2247090 DHHQEEGTDNIGNZ-UHFFFAOYSA-N 375.476 4.518 5 40 GJBB Cc1ccc(Sc2cc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc([N+](=O)[O-])c2)cc1 6923576 NTAAEVIRLIUQAX-KDURUIRLSA-N 396.468 4.734 5 40 GJBB Nc1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 17209635 STSPZWQISRWDND-UHFFFAOYSA-N 391.218 4.761 5 40 GJBB CC(C)(C)n1ncc2c1N=C(O)CS[C@H]2c1cc([N+](=O)[O-])ccc1Cl 49544492 NTSWVDMQAOJIIL-AWEZNQCLSA-N 380.857 4.624 5 40 GJBB COc1ccc([C@@H](O)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 95976036 HXWQJMXNZILVRH-SZNDQCEHSA-N 398.484 4.544 5 40 GJBB O=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 843987 IINXIHKGAQGJML-UHFFFAOYSA-N 387.189 4.870 5 40 GJBB O=C(Nc1cccc(Cl)c1Cl)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12512328 PVFPOMHLKGMWSO-UHFFFAOYSA-N 394.258 4.757 5 40 GJBB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 1534033032 HSMWLMLBJYSXJZ-CQSZACIVSA-N 383.835 4.995 5 40 GJBB O=C(OCc1ncc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 26466828 YPVZYNYFQTZLSA-UHFFFAOYSA-N 398.371 4.961 5 40 GJBB CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 78823878 PUJDWKYREPWWGR-LBPRGKRZSA-N 391.859 4.690 5 40 GJBB Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Cl 408626527 HWPHLTTZRNHZGS-UHFFFAOYSA-N 398.271 4.645 5 40 GJBB O=C(OCc1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 5769081 FENQJOTVUBQWDV-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB O=C(c1ccccc1)c1ccc(Oc2ccc(-n3ccnc3)cc2)c([N+](=O)[O-])c1 6657567 DTTFLNUIWWQMCD-UHFFFAOYSA-N 385.379 4.804 5 40 GJBB Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)Nc1ccc(Cl)cc1 3016364 DEQSDQUCACQTDI-UHFFFAOYSA-N 382.778 4.694 5 40 GJBB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1 5518569 DLEOUPLTHPCVHW-UHFFFAOYSA-N 393.472 4.509 5 40 GJBB Cc1ccc2nc(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 6649715 BYMDQNWNGPIYQU-NSHDSACASA-N 381.417 4.683 5 40 GJBB O=C(Nc1ccc(CNc2ccc([N+](=O)[O-])c3cccnc23)cc1)c1ccco1 12545780 MPLHDZFMRAQWJV-UHFFFAOYSA-N 388.383 4.600 5 40 GJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccnc2)nc2ccccc12 12555394 RARYTWRHNLDIDR-UHFFFAOYSA-N 385.379 4.562 5 40 GJBB O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCC(Cc2ccccc2)CC1 15511448 JOHDLKBCYHGXND-UHFFFAOYSA-N 380.469 4.904 5 40 GJBB O=[N+]([O-])c1ccc2cnn(CN3CCCC[C@@H]3c3nc4ccccc4s3)c2c1 23856144 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CN(Cc1ccc(Cl)nc1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 12727246 LKBQDRKAYWGQPY-UHFFFAOYSA-N 381.819 4.511 5 40 GJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2[C@H](C)CC 2432141 GURNXYSIDIJSSD-OAHLLOKOSA-N 377.492 4.846 5 40 GJBB Cc1cc(C)c(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 13002002 ZILWKDOLDSXQCS-ZDUSSCGKSA-N 375.808 4.602 5 40 GJBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccc([N+](=O)[O-])c1 408531929 MVKVOMSHOIMVLI-UHFFFAOYSA-N 397.390 4.938 5 40 GJBB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409118324 PXSKKVFGVKPZNC-ODLFYWEKSA-N 394.408 4.949 5 40 GJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2206475 KGDLOVHHRYYDMY-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB Cc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6525460 VUKBDVKNEWJBCZ-NRFANRHFSA-N 375.380 4.684 5 40 GJBB CCN(CC)c1nc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccc(OC)cc12 17299590 FSDJAWHFNPQMEW-JYRVWZFOSA-N 378.432 4.563 5 40 GJBB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 21596106 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CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5383939 LUJQOZMOLUAGQB-UHFFFAOYSA-N 390.439 4.938 5 40 GJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 12194886 HJLKVPMAXDNQPE-FXAWDEMLSA-N 377.425 4.899 5 40 GJBB Cc1ccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])cc1C 4817267 GCLCRONPJXCBRX-UHFFFAOYSA-N 381.436 4.872 5 40 GJBB CNc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 6950116 KGJDDOCJVAQIQF-UHFFFAOYSA-N 378.384 4.786 5 40 GJBB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12556391 FIKFHSQZRCXROC-LLVKDONJSA-N 393.365 4.541 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408996990 FURYZBAEQKGPHC-IQUZMVKNSA-N 378.428 4.678 5 40 GJBB CCCCc1nc2sc3c(nc(SC)n4cnnc34)c2c2c1CCCC2 2249200 RKMFEMJLVGYFJS-UHFFFAOYSA-N 383.546 4.831 5 40 GJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H]3Cc4ccccc4[C@H]23)cc1 4147002 OGRVBKLJVZWOAQ-YADHBBJMSA-N 385.423 4.536 5 40 GJBB COc1ccc(N(C)C(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 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O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(F)(F)F)c1 95950195 FLHVXEJMAZULOX-UHFFFAOYSA-N 396.346 4.568 5 40 GJBB O=C(Nc1ccc(F)cc1F)c1sccc1Oc1ccccc1[N+](=O)[O-] 3125657 HKGNKXQMHNMFRP-UHFFFAOYSA-N 376.340 4.979 5 40 GJBB CC(=O)Nc1nc(-c2cccc3ccccc23)nc2c1c(=O)oc1ccccc12 226758454 UGACTSRHBZDFNS-UHFFFAOYSA-N 381.391 4.515 5 40 GJBB Cc1ccc(Cl)c(OC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 14234265 SJHUSLGTXDRBPZ-UHFFFAOYSA-N 377.827 4.722 5 40 GJBB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 44844550 ODHIJFQBUIBLOD-INIZCTEOSA-N 380.853 4.766 5 40 GJBB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])cc1 103591763 TWXOICDLOQFOAY-SFHVURJKSA-N 384.432 4.602 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1F 4715903 DXCNXTIHYULOJB-GORDUTHDSA-N 385.178 4.701 5 40 GJBB CCn1c(=O)c2cc(Cl)ccc2n2c(C(=O)c3ccco3)c3ccccc3c12 16756734 HNRJKVWJQSAVRJ-UHFFFAOYSA-N 390.826 4.905 5 40 GJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)oc1=O 12062404 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O=C1S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CC1CCCCC1 409135425 QOXVJIKJRAEXNU-OQLLNIDSSA-N 380.853 4.865 5 40 GJBB CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 5713430 ZJPWEELNGKRUAU-WYMLVPIESA-N 378.384 4.905 5 40 GJBB Cc1cccc(-c2noc(-c3ccc(NCc4ccccn4)c([N+](=O)[O-])c3)n2)c1 15833770 VKTIKSMLURQRBK-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCc2ccccc2C1 59267033 BXLJZFYTGZSYOK-XQNSMLJCSA-N 384.435 4.720 5 40 GJBB CCn1c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 6652853 GRKQNZSNWYCSOY-GFCCVEGCSA-N 395.444 4.868 5 40 GJBB Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F 12558664 WNFHLUSKKDGASJ-INIZCTEOSA-N 394.328 4.688 5 40 GJBB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 224999807 FCMQMWZDIICDJC-UHFFFAOYSA-N 398.440 4.602 5 40 GJBB C[N+]12CCC(CC1)[C@@H](C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 1260466 ZOURJSVVMXNTQS-QOTJCZOLSA-N 377.335 4.716 5 40 GJBB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1Cl 5756848 ZZYNWWLRKUNDQN-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB C[C@@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2o1 8239298 YVRUPDSJNLNMER-SNVBAGLBSA-N 389.205 4.595 5 40 GJBB CC1CCN(c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 8938274 XYDWRFMDJIZUNY-CQSZACIVSA-N 387.509 4.611 5 40 GJBB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 2737152 OVIGBVZAWPUDSN-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H]3Cc4ccccc4[C@@H]23)cc1 4147005 OGRVBKLJVZWOAQ-FGZHOGPDSA-N 385.423 4.536 5 40 GJBB COCc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 223426381 WCXDOOJCMFYIAO-PXLXIMEGSA-N 388.423 4.921 5 40 GJBB C[S@](=O)Cc1cccc(C(=O)OCc2nc3ccccc3c3ccccc23)c1 54748806 DKYRARDLHNIQHW-MUUNZHRXSA-N 389.476 4.624 5 40 GJBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl 205688494 WQQTZOXDUYTWLO-VIZOYTHASA-N 392.795 4.624 5 40 GJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COCC(C)C 224742259 NGKCQBZGUNQPRS-UHFFFAOYSA-N 386.448 4.727 5 40 GJBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 7497819 RZSRUYNDCHGULK-HNNXBMFYSA-N 377.400 4.744 5 40 GJBB COc1ccc(-c2nc3oc4ccccc4c(=O)c3c3nc4ccccc4n23)cc1 5207495 DIGOXFAVEFHPRX-UHFFFAOYSA-N 393.402 4.818 5 40 GJBB O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]21 14186263 IXMNKTUICILJED-BVSLBCMMSA-N 386.407 4.764 5 40 GJBB CCN(CC)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 58161487 JDNRMFYXPZSAHY-INIZCTEOSA-N 396.900 4.514 5 40 GJBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)c1ccccc1 846121 FBOKXZOXHBYAJJ-UHFFFAOYSA-N 396.424 4.752 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1O)Nc1cc(C(F)(F)F)ccc1Cl 1752618 XMWWHGPMXTWRRI-UHFFFAOYSA-N 375.690 4.617 5 40 GJBB CCN(CC)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 408977289 VEXJHILMZWXXEH-UHFFFAOYSA-N 396.454 4.753 5 40 GJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(c1ccccc1)c1ccccc1 3318172 APHRTNNTFILSFL-UHFFFAOYSA-N 389.436 4.975 5 40 GJBB O=C(CSc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1Cl 5034570 GRXXHTDEHXNZCU-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)cc1 4813299 OAURYBRFYSXHFB-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB Cc1cccc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 19927252 BGRSZOLDTRHPCU-UHFFFAOYSA-N 389.820 4.582 5 40 GJBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409071810 PZMMMTHBTCRZCG-KZKLBEMASA-N 391.448 4.591 5 40 GJBB Cc1nc2c(c(=N)o1)c1nc3ccccc3nc1n2-c1ccc2ccccc2c1 3854978 WYQUSEYUNMHIKQ-UHFFFAOYSA-N 377.407 4.656 5 40 GJBB Cc1ccc(OCC(=O)OCc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(C)c1 6281841 ONWZXEZFTZWIOS-UHFFFAOYSA-N 395.411 4.902 5 40 GJBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cc1ccccc1 7344771 HZJKTUWEGGBYHA-UHFFFAOYSA-N 378.453 4.916 5 40 GJBB COc1ccc(-c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 7466830 GZMRVVHHVJIVGR-UHFFFAOYSA-N 397.334 4.823 5 40 GJBB Cc1ccc(-c2ccc(C(=O)n3cc(C(=O)O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767187 SMHZGPJWYHUQBL-UHFFFAOYSA-N 390.351 4.505 5 40 GJBB Cc1cc(C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-] 408573914 FHNYNBQYZKYAQU-UHFFFAOYSA-N 399.299 4.873 5 40 GJBB CCc1ccc([C@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)cc1 8062263 IITSWSKDPJSRHV-NRFANRHFSA-N 396.468 4.503 5 40 GJBB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] 32772704 CJYVXBQKHVAQAK-QGZVFWFLSA-N 381.457 4.880 5 40 GJBB Cc1nc2c(sc3cc([N+](=O)[O-])cc(SCc4ccccc4)c32)c(=O)n1C 1089629 PQVSVTJPYIEPAH-UHFFFAOYSA-N 397.481 4.657 5 40 GJBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(C(=O)N1CCCCC1)c1ccccc1 10254477 MAJGFENXHJWCON-UHFFFAOYSA-N 387.823 4.501 5 40 GJBB Cc1cccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c1 408576060 XGSVAOQUVFENAW-QGZVFWFLSA-N 388.880 4.648 5 40 GJBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCC1 408977743 XXLUUOSMLSIYRY-UHFFFAOYSA-N 393.450 4.506 5 40 GJBB Cc1ccccc1NC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4587608 RYNTUUALZWVOAF-UHFFFAOYSA-N 392.371 4.807 5 40 GJBB Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)ccc1[N+](=O)[O-] 7684918 XOYRBFQFCYIOAX-OAHLLOKOSA-N 381.457 4.533 5 40 GJBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5175771 BTJOQCCMPSBRMW-MRVPVSSYSA-N 389.622 4.961 5 40 GJBB CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1NCc1ccc(Cl)cc1 20405762 PCRCYAYRGKDIFM-UHFFFAOYSA-N 385.807 4.585 5 40 GJBB Cc1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1[N+](=O)[O-] 7947074 RABNFAIMVFWYLX-SFHVURJKSA-N 384.482 4.814 5 40 GJBB Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1[N+](=O)[O-] 12588508 ZTCWTHKXNOTQEM-UHFFFAOYSA-N 390.443 4.694 5 40 GJBB O=C(Nc1cccc(OC(=O)c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 797225 ZHDYUCYCTZUOCW-UHFFFAOYSA-N 396.786 4.720 5 40 GJBB CN(C)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408977140 VMDABOOYHBNFEU-UHFFFAOYSA-N 381.439 4.583 5 40 GJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2250935 LRLHKRYWQADNJN-UHFFFAOYSA-N 397.482 4.556 5 40 GJBB CC[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1 2720980 CHVPXKHXEOFLNC-GFCCVEGCSA-N 394.456 4.666 5 40 GJBB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccc(C)cc2)cc1 3270317 CWEQRYZHHRBMEE-FQEVSTJZSA-N 379.368 4.586 5 40 GJBB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 6081112 ZWWQXZDQJUPUFL-OAHLLOKOSA-N 396.472 4.517 5 40 GJBB O=C(Nc1ccccc1)c1sc(N2CCCC2)nc1-c1ccc([N+](=O)[O-])cc1 7015770 IKUQWVGHYXHESC-UHFFFAOYSA-N 394.456 4.571 5 40 GJBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C)c1CC 998069 MNVMLKABJGDCFM-UHFFFAOYSA-N 396.852 4.610 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 248342379 XZKMHNQLUWIQJD-VEZIVQCBSA-N 392.455 4.986 5 40 GJBB Cc1c(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cccc1[N+](=O)[O-] 408627623 MRJYPKLPBRHQDX-UHFFFAOYSA-N 387.395 4.641 5 40 GJBB CCc1cccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)c1 5478562 GDEDEKRAPMYWIO-UHFFFAOYSA-N 384.439 4.623 5 40 GJBB Cc1cc([N+](=O)[O-])cc2nc(CCCc3nc4cc([N+](=O)[O-])cc(C)c4o3)oc12 98086939 FDKRQXSRIAEUCS-UHFFFAOYSA-N 396.359 4.578 5 40 GJBB CCSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1=C(O)CC(C)(C)CC1=N2 102677988 JVKSWOSNLJXGKR-MRXNPFEDSA-N 399.476 4.606 5 40 GJBB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-] 223976048 UFEOJVFOWHEKTG-UHFFFAOYSA-N 382.397 4.603 5 40 GJBB Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 224770791 ASVGXBNVEZFGDI-UHFFFAOYSA-N 398.440 4.521 5 40 GJBB Cc1cccc(C)c1NS(=O)(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1 4694544 JTCSCABPMIZZFC-UHFFFAOYSA-N 396.424 4.912 5 40 GJBB O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4525891 PNKVDDQVVGZDJX-UHFFFAOYSA-N 396.786 4.720 5 40 GJBB Cc1c(NC(=O)CSCc2ccccc2Br)cccc1[N+](=O)[O-] 6455971 YVDCKDMBPUNBFT-UHFFFAOYSA-N 395.278 4.538 5 40 GJBB C[N+](C)(Cc1ccc(F)cc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 226072119 WFTZPTRIAZJRSN-HSZRJFAPSA-N 380.483 4.509 5 40 GJBB O=C1S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CC1CCCCC1 409149001 VQBDWAJCSNUKRC-OQLLNIDSSA-N 380.853 4.865 5 40 GJBB CN(C)CCCNc1cc(/C=C\c2ccc([N+](=O)[O-])cc2)nc2ccccc12 17129868 RWUQBOXMJIIXOZ-FLIBITNWSA-N 376.460 4.677 5 40 GJBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 6566474 FQIOKMQSTOHOQO-SCUMNGBJSA-N 397.519 4.530 5 40 GJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccc([N+](=O)[O-])cc1 7655014 CILWGNSUGPVXLP-UHFFFAOYSA-N 390.754 4.708 5 40 GJBB CCCN(CCC)C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 4931031 ZTEDOROAIRXRGA-UHFFFAOYSA-N 386.477 4.542 5 40 GJBB Cc1nc(-c2ccccc2)ccc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 10903369 WQDSAHCRXQZTOG-UHFFFAOYSA-N 395.846 4.891 5 40 GJBB CCOC(=O)c1sc2cccc(F)c2c1CNc1ccc(F)c([N+](=O)[O-])c1 24765746 UKPHHUBREBEMKG-UHFFFAOYSA-N 392.383 4.877 5 40 GJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@@H]1c1ccccn1 55517705 ZHDUFQJCNZYMID-QGZVFWFLSA-N 397.818 4.881 5 40 GJBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 100675943 BUPIOAQHMBSCAQ-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc(Cl)ccc1[N+](=O)[O-] 5193271 LOHVSOWZEWODEZ-UHFFFAOYSA-N 385.832 4.723 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 6970875 NTDUNTWRPFEKKS-FHLIZLRMSA-N 389.249 4.992 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2s1 12780375 LQUMKMOBTXVEFE-SXSDINLZSA-N 379.441 4.581 5 40 GJBB Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC3CCCCCC3)c12 36618405 SNSMBJXVESNHEJ-UHFFFAOYSA-N 394.431 4.559 5 40 GJBB C[C@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 84641004 QPPQUOWNAUEPBD-SNVBAGLBSA-N 390.852 4.611 5 40 GJBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1042463 MMKSJYHVVFBNJJ-UHFFFAOYSA-N 392.255 4.814 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C)cc1[N+](=O)[O-] 6922617 JVNMYTPIAGKJNP-GQCTYLIASA-N 381.215 4.871 5 40 GJBB Cc1ccc(-c2ccc(Oc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])cc2)cc1 7982326 NHCWZBIRUJQEJW-UHFFFAOYSA-N 383.425 4.766 5 40 GJBB CCCCc1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 32118968 VVEDFFRGOJNTPA-UHFFFAOYSA-N 385.445 4.565 5 40 GJBB Cc1c(CSc2nnc(COc3ccccc3Cl)o2)cccc1[N+](=O)[O-] 40122837 GESIHPUNLDLKAD-UHFFFAOYSA-N 391.836 4.811 5 40 GJBB CCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2302988 MOYJHQSLHRCCQF-UHFFFAOYSA-N 397.482 4.782 5 40 GJBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 226768109 HKPNLEQNYVNUHH-UHFFFAOYSA-N 390.351 4.505 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cs1 7820521 ZCCSQCZVKGRLSK-UHFFFAOYSA-N 393.877 4.672 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1nccn1Cc1ccccc1 12551574 CQNBWKUWCYFPPC-UHFFFAOYSA-N 390.365 4.513 5 40 GJBB COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 15409817 ZBSHAYICHQMYHO-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB C[C@@H](Nc1ccc(C(=O)N2CCCCCCC2)cc1[N+](=O)[O-])c1ccccn1 52937981 SSVFNCKSAMQQLQ-MRXNPFEDSA-N 382.464 4.569 5 40 GJBB C[C@H]1c2ccccc2C2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4904931 USLFBHNVGZBRAL-AWEZNQCLSA-N 395.415 4.532 5 40 GJBB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2[N+](=O)[O-])cc1 1506354 PAULIIIGQUULAD-QFIPXVFZSA-N 385.423 4.895 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1cc(Cl)ccc1Cl 5103613 DTFMFJJVBWBPDP-UHFFFAOYSA-N 387.244 4.641 5 40 GJBB COc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c([N+](=O)[O-])c1 409099312 LAKRYZACBQFRTP-ODLFYWEKSA-N 394.408 4.949 5 40 GJBB COC(=O)c1sc2ccccc2c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 4176824 GLHKGTJSDLPONS-UHFFFAOYSA-N 390.804 4.502 5 40 GJBB COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2CC(C)C)cc1 6256216 GOXALZDZGGOXAF-UHFFFAOYSA-N 398.488 4.810 5 40 GJBB CCCCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624616 XOEILLFPOXCSSU-UHFFFAOYSA-N 397.478 4.902 5 40 GJBB biogenic O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1Cc3ccccc3[C@@H]21 101397432 NSBACPAXNQNGKI-JBACZVJFSA-N 386.407 4.764 5 40 GJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)cc1 2251674 DILSBRWBWWPJML-UHFFFAOYSA-N 395.466 4.707 5 40 GJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)c1 2426354 KVGZXEJJNQBRPK-OAHLLOKOSA-N 397.482 4.817 5 40 GJBB COc1ccc(-c2c3c(=O)c4ccccc4c3nc3c2c(=O)c2ccccc23)cc1 3150544 UCXXQWRMVPCHQP-UHFFFAOYSA-N 389.410 4.966 5 40 GJBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 6263854 GWZGIJXQNFZFEE-UHFFFAOYSA-N 396.230 4.893 5 40 GJBB Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1 2228636 VIRQFIPWPKGWTG-UHFFFAOYSA-N 394.430 4.527 5 40 GJBB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 3200061 ROHXNUGUNTXGCS-UHFFFAOYSA-N 395.440 4.523 5 40 GJBB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc12 4130208 QCWDVHQNGWGCMU-UHFFFAOYSA-N 378.413 4.556 5 40 GJBB O=[N+]([O-])c1ccccc1SNc1cc(C(F)(F)F)ccc1-n1ccnc1 12559742 QVATVWSRYYHHMS-UHFFFAOYSA-N 380.351 4.919 5 40 GJBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 40142568 SCJDIMJFXZEWMS-GUYCJALGSA-N 388.489 4.807 5 40 GJBB COc1ccc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c(OC)c1 4615829 PVHFNJRWDOEVGE-UHFFFAOYSA-N 394.383 4.657 5 40 GJBB Cc1cccc2sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc12 6248088 VRURSTDUNZWZRY-UHFFFAOYSA-N 396.472 4.756 5 40 GJBB CCOc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 40090741 UYWJTBWHTJKKMT-OAQYLSRUSA-N 376.412 4.513 5 40 GJBB CC(C)Oc1cc2c(cc1[N+](=O)[O-])C=C[C@]1(O2)N(C)c2ccccc2C1(C)C 3028301 RQTFHPUKIUEOTO-JOCHJYFZSA-N 380.444 4.912 5 40 GJBB COc1ccc(-c2noc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1F 12878144 BRIWLVQTGAHUDT-UHFFFAOYSA-N 388.354 4.811 5 40 GJBB CC(C)c1ccc([C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(C)C)cc1 24059357 SDNAECQTCKKATD-SFHVURJKSA-N 380.448 4.535 5 40 GJBB CCOC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 205696754 KCPCPQCNRKKURE-XDHOZWIPSA-N 391.448 4.592 5 40 GJBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975401 JGXOYJXGBHINPS-CQSZACIVSA-N 378.435 4.856 5 40 GJBB Cc1ccc(NCc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 6389600 ZKHOHIFFLYHKHN-UHFFFAOYSA-N 376.412 4.872 5 40 GJBB O=[N+]([O-])c1cc(Br)c(N2CCc3ccccc32)c(Br)c1 252479362 BDRWWHQRWCNLNW-UHFFFAOYSA-N 398.054 4.814 5 40 GJBB CC(=O)c1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408977271 WMLYXZUGMNEHPX-UHFFFAOYSA-N 380.407 4.719 5 40 GJBB COc1ccccc1Oc1cc(NC(=O)c2ccc(C)cc2)cc([N+](=O)[O-])c1 2795679 FDBSMCPQMFDJMH-UHFFFAOYSA-N 378.384 4.956 5 40 GJBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)Nc1cccc(Cl)c1 3245572 UJWBKAQBNSEPTP-UHFFFAOYSA-N 379.799 4.617 5 40 GJBB CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 6943853 JFNZCJAKXWDLAL-UHFFFAOYSA-N 388.383 4.773 5 40 GJBB Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1F 12558666 WNFHLUSKKDGASJ-MRXNPFEDSA-N 394.328 4.688 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 12911445 MOEQILWCEBTYFJ-UHFFFAOYSA-N 381.395 4.991 5 40 GJBB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1ccc([N+](=O)[O-])cc1 1447951 XXRIVMXXLWMSTG-UHFFFAOYSA-N 387.347 4.587 5 40 GJBB biogenic CCCNC(=O)CSc1ncnc2c1sc1nc3c(C)cc(C)cc3cc12 4898290 YRROZADNHIOOKW-UHFFFAOYSA-N 396.541 4.628 5 40 GJBB CC(=O)Nc1cc(N2CCC[C@H](c3cc4ccccc4[nH]3)C2)c(F)cc1[N+](=O)[O-] 40135278 BXDGAUDTRMRBOJ-HNNXBMFYSA-N 396.422 4.558 5 40 GJBB Cc1ccc(NCc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 6389617 PVIUDAKQSNVMBD-UHFFFAOYSA-N 376.412 4.872 5 40 GJBB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 226766958 MHVLGQRHCAOUGT-UHFFFAOYSA-N 390.351 4.505 5 40 GJBB Cc1c(CSc2nnc(Nc3ccccc3F)s2)cccc1[N+](=O)[O-] 59123263 IPZNEFNYVYEILG-UHFFFAOYSA-N 376.438 4.930 5 40 GJBB CCOc1ccc(OCC)c(NC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c1 62582069 JSIRJNNYXKATKH-CQSZACIVSA-N 387.436 4.617 5 40 GJBB COc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226071258 XSRCTCNXJLCZNY-OAQYLSRUSA-N 398.567 4.543 5 40 GJBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC 408613731 ZUPCSGBHWDMHNW-UHFFFAOYSA-N 395.253 4.767 5 40 GJBB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 17079901 QMBFARDXYMOYBT-UHFFFAOYSA-N 391.427 4.703 5 40 GJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(C)c1 224113404 PRODOLCOWABZGO-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB COc1cc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)cc([N+](=O)[O-])c1 2755545 CZULKFBLMRIRCO-UHFFFAOYSA-N 396.399 4.645 5 40 GJBB COc1ccc(-c2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2C)cc1 4279324 ZWFWGMAYALAFOZ-IZZDOVSWSA-N 395.440 4.687 5 40 GJBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl 6547962 FMHJCTPFTWVRRF-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408563035 SZZSSNUPFJVJIS-DQRAZIAOSA-N 395.484 4.811 5 40 GJBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2[nH]c3nc4ccccc4nc3c2c1 408975400 JGXOYJXGBHINPS-AWEZNQCLSA-N 378.435 4.856 5 40 GJBB CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)cc1 728364 XZDXSXGCKKPCKX-UHFFFAOYSA-N 391.383 4.598 5 40 GJBB CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 4256018 LMNRDLGGAUHHNF-UHFFFAOYSA-N 395.419 4.588 5 40 GJBB CC(C)Oc1cc2c(cc1[N+](=O)[O-])C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C 4859575 RQTFHPUKIUEOTO-QFIPXVFZSA-N 380.444 4.912 5 40 GJBB O=C(OCc1c(Cl)cccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4869447 WKCYZFMPUAURKO-UHFFFAOYSA-N 395.242 4.859 5 40 GJBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc([N+](=O)[O-])cc1 5704911 GFYLRUDZQSXRFC-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145205 XJFDLWQALUNDSV-RUDMXATFSA-N 398.802 4.652 5 40 GJBB CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 225865847 WKZNMINDJFNNGA-UHFFFAOYSA-N 383.448 4.538 5 40 GJBB C[N+]1(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCCCC1 16975553 NGMSRGMCIPSJRU-YXPXJKJVSA-N 398.611 4.915 5 40 GJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C 224101207 RTJBDONTQKAGFN-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB Brc1ccc(-c2csc3nnc4c5ccccc5nc-4n23)cc1 642436 LKIRUXUUHLFBQP-UHFFFAOYSA-N 381.258 4.873 5 40 GJBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc([N+](=O)[O-])s1 4176321 FHGCTMPGRVOVIZ-UHFFFAOYSA-N 388.455 4.642 5 40 GJBB O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 20120427 VXTSHYIRMLEKQO-QHCPKHFHSA-N 397.434 4.864 5 40 GJBB CCN1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O 408756888 KEDNGFYEIAGFDF-UHFFFAOYSA-N 395.802 4.761 5 40 GJBB COc1ccc2oc(=O)c(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)cc2c1 846070 SFJITPUJDQAWTO-UHFFFAOYSA-N 380.381 4.500 5 40 GJBB Cc1ccc(OCc2cn(-c3ccccc3)nc2-c2ccccc2)c([N+](=O)[O-])n1 6832212 FZWQSPBUFMINOW-UHFFFAOYSA-N 386.411 4.730 5 40 GJBB Cc1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)sc2nc(-c3ccccc3)cn12 15786511 PXMRZTWRMZKBSI-UHFFFAOYSA-N 396.403 4.671 5 40 GJBB COc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 59294539 ZJINAULNGMABPB-UHFFFAOYSA-N 386.448 4.697 5 40 GJBB CC1(C)OCC(c2ccc3cc(OCc4ccccc4)ccc3c2)([N+](=O)[O-])CO1 82048730 VSJBREXGTRXFPS-UHFFFAOYSA-N 393.439 4.674 5 40 GJBB Cc1ccc(C(=O)O)cc1Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] 12651556 OFXFWNBBQOTRAG-UHFFFAOYSA-N 376.368 4.576 5 40 GJBB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1[N+](=O)[O-] 19814573 HPCNFSLFMGCBMO-UHFFFAOYSA-N 386.367 4.564 5 40 GJBB COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 24463792 VPMHVWSCGLCRFW-UHFFFAOYSA-N 388.470 4.569 5 40 GJBB Cc1cc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)ccc1[N+](=O)[O-] 95481700 JPZJGVQTUQQRRF-UHFFFAOYSA-N 395.488 4.537 5 40 GJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COCc1ccccc1 224353751 XFZQYUAVQGFAOV-UHFFFAOYSA-N 392.411 4.573 5 40 GJBB O=[N+]([O-])c1cccc(NC(=S)Nc2cc3ncccc3c3cccnc23)c1 408976441 QYYJCCWHYJABOH-UHFFFAOYSA-N 375.413 4.500 5 40 GJBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)NC1CCCCC1 408976715 SLEYYWDERWQNHA-UHFFFAOYSA-N 375.501 4.883 5 40 GJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)c1 408988630 FCIYTMMCQRATJY-NNWRFLSQSA-N 387.395 4.974 5 40 GJBB O=[N+]([O-])c1ccc(NN2[C@@H]3CC[C@H]2c2c(ccc4ccccc24)O3)c([N+](=O)[O-])c1 5280479 UFSNMHRUVAYRIG-LPHOPBHVSA-N 392.371 4.539 5 40 GJBB COc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2cc1Cl 8114165 CWXVGCTWAQGACA-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12764070 BIYCTXLXXKNFCL-CZIMKVFHSA-N 386.835 4.634 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cs1 12794996 JZAOGHPGSDUKIV-UHFFFAOYSA-N 393.877 4.672 5 40 GJBB COc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226071251 XSRCTCNXJLCZNY-NRFANRHFSA-N 398.567 4.543 5 40 GJBB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 248175665 AASHRNXTEZEPOJ-GYPRTHBGSA-N 394.427 4.598 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1OC 409337686 XXRTUYSEUMHJQI-WHPBGRISSA-N 380.444 4.909 5 40 GJBB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6079756 NRFWRODBGWFPBA-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB C[C@H](Sc1ccc(C(F)(F)F)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 8780419 VLGIJHOUZONANH-VIFPVBQESA-N 396.350 4.912 5 40 GJBB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc([N+](=O)[O-])o1 830419 QHMORIDZRJHGLG-UHFFFAOYSA-N 383.747 4.902 5 40 GJBB O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1cccc(F)c1 7978648 KGPSXOXCMVLADN-UHFFFAOYSA-N 380.379 4.528 5 40 GJBB C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 12750143 IMLOYHFQSHGRDR-ZDUSSCGKSA-N 395.381 4.683 5 40 GJBB COc1ccc(C(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1 6660731 WYBYQTGKZXOVCV-UHFFFAOYSA-N 379.799 4.861 5 40 GJBB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 8470697 RMHLTXYKZZDMMA-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2s1 17081465 VNEZUFCVLFXPLV-UHFFFAOYSA-N 398.444 4.504 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2)c1C 40130865 JWDQOJLZMCQSOA-UHFFFAOYSA-N 398.850 4.540 5 40 GJBB O=[N+]([O-])c1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1 65748129 UFAXMTYCHLXRRB-UHFFFAOYSA-N 386.411 4.985 5 40 GJBB in-vitro Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 830441 HFHJEQYHKQJNDM-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB CCOc1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 4135209 NEXFCMJPHUDBMI-UHFFFAOYSA-N 377.809 4.509 5 40 GJBB Cc1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1C 5151381 MUAXVWCJZBQVOQ-UHFFFAOYSA-N 398.854 4.593 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl 7748303 UDAMKSMCPBLAKY-FPYGCLRLSA-N 381.613 4.663 5 40 GJBB CCOC(=O)C(c1ccccc1)(c1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] 16682198 SXILMGFNPKQHLS-UHFFFAOYSA-N 396.830 4.541 5 40 GJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 20141060 SSWHHJCKQABHPM-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB CC1(C)C(=O)O[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O 1316005 NXLUMXTWTSVDNI-GOSISDBHSA-N 396.443 4.529 5 40 GJBB Cc1occc1-c1nnc2sc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nn12 2706909 HORVOVNLTBQLKT-UHFFFAOYSA-N 393.384 4.589 5 40 GJBB COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1[N+](=O)[O-] 6216495 SLSHUJLTWVRWDU-UHFFFAOYSA-N 383.429 4.596 5 40 GJBB Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc([N+](=O)[O-])cc1 8475537 VHRKTGYYSRPYAW-UHFFFAOYSA-N 383.835 4.645 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 8766837 UHWLEWJDTRAVIZ-UHFFFAOYSA-N 381.436 4.605 5 40 GJBB O=[N+]([O-])c1ccc(Oc2nccc(C(F)(F)F)n2)c(Cc2ccccc2)c1 29429802 AJPUSOLBIBGHLX-UHFFFAOYSA-N 375.306 4.787 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30758037 JTRKAAROXNVPAD-UHFFFAOYSA-N 387.439 4.718 5 40 GJBB O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(F)ccc1[N+](=O)[O-] 58166813 ABEVBNITTJTMCG-UHFFFAOYSA-N 384.338 4.704 5 40 GJBB Nc1nc2oc3ccc(Cl)cc3c(=O)c2cc1-c1nc2ccccc2s1 94986158 ABACYUQEIINTSA-UHFFFAOYSA-N 379.828 4.854 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc(C3=CSC4=NCCCCN34)cc2)cc1 100960522 AIJNUORMXZFQGL-UHFFFAOYSA-N 381.457 4.671 5 40 GJBB Cc1cc(Br)ccc1NC(=O)c1coc2ccc([N+](=O)[O-])cc12 197630839 FZPXFSURQQGDPN-UHFFFAOYSA-N 375.178 4.664 5 40 GJBB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 6541052 MQQBPGATNOIXAI-GFCCVEGCSA-N 390.823 4.557 5 40 GJBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1nc2ccccc2s1 12982740 CPAPTDIZFXCPRD-FLVLSHQESA-N 379.441 4.581 5 40 GJBB Cc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)cc1C 408530922 SHOVZQMZPAMGDN-UHFFFAOYSA-N 383.791 4.541 5 40 GJBB Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 4503107 RLWOCBQPVGDVAT-VOTSOKGWSA-N 375.222 4.626 5 40 GJBB Cc1sc2c(c1C)c(=O)nc1c3ccccc3/c(=C\C=C\c3ccccc3)n12 16756690 PMMSRBKKOVIANH-BTXLNPSKSA-N 382.488 4.892 5 40 GJBB CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)c2ccccc2Br)c1 17965037 BQPMKVDDKGXGIW-JTQLQIEISA-N 395.278 4.570 5 40 GJBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(F)cc1 408561388 IRIKCMDLZSSBLJ-XDOYNYLZSA-N 399.447 4.587 5 40 GJBB CCOc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2C)cc1 4294102 FWRPIKURCBMATJ-UHFFFAOYSA-N 383.429 4.678 5 40 GJBB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 4614961 YRHDAUFGZKYFOG-UHFFFAOYSA-N 387.745 4.585 5 40 GJBB Cc1csc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)cn12 5083703 JHQSXNRAYZRZFO-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB Cc1c(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 8562748 OKMKSQNWLAVYHO-INIZCTEOSA-N 376.412 4.976 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14207176 IZROZJPYOAYHRK-UHFFFAOYSA-N 385.807 4.783 5 40 GJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c3c(cccc13)CC2 223409107 DCVNYWSGLOGBHX-UHFFFAOYSA-N 378.453 4.719 5 40 GJBB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 224862315 VXIXWMXQSRGYGN-UHFFFAOYSA-N 395.415 4.528 5 40 GJBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl 4526406 XEWYNGDVBMXJLA-RZNTYIFUSA-N 397.601 4.900 5 40 GJBB O=C(CSc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5863901 DPFILBQDMMGQCX-UHFFFAOYSA-N 390.770 4.998 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1OC(F)(F)F 43878766 FAEIUEPGIJJEMI-NSHDSACASA-N 383.326 4.718 5 40 GJBB O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)cc1 4860711 VSPCYHKNOQWGQC-OAQYLSRUSA-N 388.383 4.859 5 40 GJBB CCCCc1nc2c(c(=O)c(C)nn2-c2ccc(C)cc2)c2nc3ccccc3n12 5206967 WZOLCQYDJFCYOX-UHFFFAOYSA-N 397.482 4.541 5 40 GJBB Nc1c(C(=O)Nc2ccccc2[N+](=O)[O-])sc2nc(-c3cccs3)ccc12 5338258 YNDKKGCIGXOWCK-UHFFFAOYSA-N 396.453 4.768 5 40 GJBB O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 5568905 HKPUYQRJCJJVEK-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB O=C(COc1ccc(F)cc1)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 6660925 WBDSIQBPTXTBCV-UHFFFAOYSA-N 397.789 4.756 5 40 GJBB Cc1nn(C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1471318 RNBOBUGTNKDLBJ-UHFFFAOYSA-N 387.848 4.901 5 40 GJBB CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O 5659715 OQYQSXFEAUAEGB-PQMHYQBVSA-N 399.211 4.828 5 40 GJBB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1 59475446 WWEVHDCLCFNWDS-UHFFFAOYSA-N 386.301 4.794 5 40 GJBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cccc2c(Cl)cccc12 408617300 ACWRJDWJEUDILE-UHFFFAOYSA-N 385.832 4.528 5 40 GJBB Cc1ccc(-c2nc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cs2)cc1 5842665 LQAMQTHJZNZXHF-JXMROGBWSA-N 380.425 4.783 5 40 GJBB O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 13286322 VEWQCPIGRMSBBI-QGOAFFKASA-N 391.408 4.626 5 40 GJBB O=C(Nc1nc(-c2ccncc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 4063464 RSYLLVONGODLSO-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB CC(=O)Oc1cn(-c2cc(C)cc(C)c2)c2nc(C)n3c4ccccc4nc3c12 5478710 HAKQKBVUXQYLST-UHFFFAOYSA-N 384.439 4.677 5 40 GJBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CC=C(c2ccccc2)CC1 12549028 QMCLCEPJSZYESY-UHFFFAOYSA-N 391.471 4.515 5 40 GJBB CC[N+](C)(CC)CCCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 31939010 IQTKDFUCKTYFDY-INIZCTEOSA-N 382.783 4.573 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 12777477 KZOLKGJQBBRDJS-AWEZNQCLSA-N 397.406 4.541 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)oc1ccccc12 224154168 BQEUKEFHXXYRNW-UHFFFAOYSA-N 382.397 4.603 5 40 GJBB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 40142564 SCJDIMJFXZEWMS-DYVFJYSZSA-N 388.489 4.807 5 40 GJBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl 205687982 TXYIBQHMUWKZAV-VIZOYTHASA-N 392.795 4.624 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 6453794 QAXQEHPHEAXZJN-ZZXKWVIFSA-N 397.214 4.571 5 40 GJBB CN(Cc1ccccc1)c1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] 8586901 PMOAJTZRVWOGEO-UHFFFAOYSA-N 376.372 4.541 5 40 GJBB Cc1c(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cccc1[N+](=O)[O-] 20412128 WPPOSFYBMOXSNI-UHFFFAOYSA-N 382.416 4.645 5 40 GJBB Cc1nc2c(cc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c3ccsc32)s1 39477808 CQQBGIQBXXBUPC-UHFFFAOYSA-N 399.453 4.745 5 40 GJBB CCCSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408750688 QIMOFHLNGSIMGX-UHFFFAOYSA-N 399.453 4.507 5 40 GJBB Cc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 48279713 VKUVEPVWDDUJKV-XSFVSMFZSA-N 384.391 4.631 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 408620942 MYOVOCVCLYQQFE-UHFFFAOYSA-N 399.406 4.644 5 40 GJBB CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 851901 ZFDSBEGBFYZNIL-UHFFFAOYSA-N 393.399 4.846 5 40 GJBB Cc1ccccc1NCc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 6396584 POFDJMXGVQPQMW-UHFFFAOYSA-N 376.412 4.872 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)o1 226768615 CLZPXKLPFVCXQZ-UHFFFAOYSA-N 390.351 4.505 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 248255490 SBVFBOOYRSILTP-LNARHQNUSA-N 394.427 4.598 5 40 GJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cccc(Cl)c1Cl 409393197 VMTQLHSUKSKLEB-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2cc1C 830440 BUEORCJSAIZDRJ-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB Cc1ccc(-c2nc(C)sc2C2=C(c3ccc([N+](=O)[O-])cc3)COC2=O)cc1 3369451 HRQKLMUUXFCKDA-UHFFFAOYSA-N 392.436 4.803 5 40 GJBB O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1-c1ccccc1 3477454 ORNPJUMGDVCWQV-UHFFFAOYSA-N 389.436 4.586 5 40 GJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2[C@@H](C)CC 2432138 GURNXYSIDIJSSD-HNNXBMFYSA-N 377.492 4.846 5 40 GJBB O=c1c2ccccc2nc2cc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nn12 4593914 AWXMVZMZOYGRCV-UHFFFAOYSA-N 385.373 4.855 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Sc1ccccc1 5108387 CVYGQWGYDJCMSK-UHFFFAOYSA-N 380.425 4.764 5 40 GJBB O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1cccc(O)c1)c2c34 95471041 XJSILQMQMNDRKD-UHFFFAOYSA-N 379.371 4.547 5 40 GJBB Cc1ccc(N[C@H](CCOC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1 5687559 JIDSTNVLAUGPMF-GOSISDBHSA-N 380.400 4.897 5 40 GJBB Cc1ccc(C(=O)OCc2ccccc2)c([N+](=O)[O-])c1OCc1ccccc1 1687709 YKBJUTVEODSQGP-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 7365360 GOXANEKXNXRUMT-UHFFFAOYSA-N 389.814 4.849 5 40 GJBB Cc1c(-c2ccc(C(=O)n3cc(C(=O)O)c4ccccc43)o2)cccc1[N+](=O)[O-] 226768365 JMSBGAVINPYTEO-UHFFFAOYSA-N 390.351 4.505 5 40 GJBB Cc1ccc(NC(=O)Oc2cc(C)c(Br)c(C)c2)cc1[N+](=O)[O-] 1560699 MJSIXKCRYDSFMB-UHFFFAOYSA-N 379.210 4.893 5 40 GJBB O=[N+]([O-])c1ccccc1N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58956114 PFEUAGRQAFDRLJ-UHFFFAOYSA-N 384.386 4.647 5 40 GJBB Cc1cc(N2CC[C@@H](C)C[C@H]2c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 107506907 YXMCXUFXDRFOAV-KDOFPFPSSA-N 378.432 4.931 5 40 GJBB Cc1ccc(C)n1NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 3440134 CRRMOBMQBAVBKB-UHFFFAOYSA-N 385.807 4.843 5 40 GJBB CC(C)c1ccc(N2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)cc1 4193159 OWNNOGNQZXDQHL-LPLGYCIKSA-N 397.500 4.899 5 40 GJBB Cc1cccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)c1 8587134 IFTQRCQZENPKOJ-UHFFFAOYSA-N 376.372 4.825 5 40 GJBB aggregator COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 408559332 VGNDRLJMRXICPD-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122598 IVSMHQQIGPUSMG-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB Cc1cccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1[N+](=O)[O-] 5578867 PACYMQCTPDULMX-UHFFFAOYSA-N 375.356 4.557 5 40 GJBB O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)nc1 408558816 WEPZKKCTITYLNE-UHFFFAOYSA-N 387.424 4.660 5 40 GJBB COC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C)c1-c1ccccc1 937388 WIZCZSIEJGOKMQ-UHFFFAOYSA-N 396.424 4.671 5 40 GJBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(C2SCCS2)c1 65719870 JTUMHFKANHDDPW-UHFFFAOYSA-N 399.497 4.667 5 40 GJBB Cc1c(-c2ccc(C(=O)n3c(C)c(C=O)c4ccccc43)o2)cccc1[N+](=O)[O-] 226768487 MBFNLJZRUKELRW-UHFFFAOYSA-N 388.379 4.927 5 40 GJBB Cc1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[N+](=O)[O-])cc1 1506349 PAULIIIGQUULAD-JOCHJYFZSA-N 385.423 4.895 5 40 GJBB O=[N+]([O-])c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4784601 RTSLFXDUPHHTTO-UHFFFAOYSA-N 392.227 4.735 5 40 GJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1[N+](=O)[O-] 408993042 BPDNQPLLFFNOIT-UBNQIVLKSA-N 394.427 4.598 5 40 GJBB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 6788258 ZQDWXMOMWPDRST-UHFFFAOYSA-N 377.130 4.755 5 40 GJBB C[C@@H](Sc1ccc(C(F)(F)F)cn1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 8780420 VLGIJHOUZONANH-SECBINFHSA-N 396.350 4.912 5 40 GJBB CC(C)c1nc(Sc2ccc3nsnc3c2[N+](=O)[O-])c2ccccc2n1 1421284 AXWNTBRYIAXAAX-UHFFFAOYSA-N 383.458 4.817 5 40 GJBB Cc1c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cccc1[N+](=O)[O-] 6968670 OSOOIUSAQNAVET-UHFFFAOYSA-N 375.356 4.557 5 40 GJBB CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] 9087359 HADJUFZVJCIEBR-UHFFFAOYSA-N 383.429 4.678 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 15409293 JSLWLACPNXGVTF-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)n2c1CCCCC2 58761918 ZRQQISXIICHPLR-UHFFFAOYSA-N 391.427 4.542 5 40 GJBB CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1c[nH]c2ccccc12 4138594 DCXSXYWNXSIZGO-UHFFFAOYSA-N 379.445 4.647 5 40 GJBB CCCCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)C[C@@H](C)O 5837934 LDKULCXSHMBMDR-QGZVFWFLSA-N 398.572 4.618 5 40 GJBB CCc1cc2c(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)ncnc2s1 7652586 UQUNQIWWLIKFSK-UHFFFAOYSA-N 399.457 4.504 5 40 GJBB Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2n1 40384493 MNWOEYPGDXHESL-UHFFFAOYSA-N 387.395 4.622 5 40 GJBB Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(F)c1 12551194 NVVSPFIZNVFULF-INIZCTEOSA-N 394.328 4.688 5 40 GJBB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 6341602 RWGVOCWOQGRTDF-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB CNc1ccc(Br)cc1-c1nc2cc3ccccc3cc2[nH]c1=O 9636208 DXJZCZOTYOLRGL-UHFFFAOYSA-N 380.245 4.548 5 40 GJBB O=[N+]([O-])c1cc(Br)ccc1N[C@H](c1ccccc1)c1ccccn1 58406621 QGTSYBKLQFXKBV-GOSISDBHSA-N 384.233 4.954 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2410436 WGEAMBULRZNZSG-HNNXBMFYSA-N 383.455 4.563 5 40 GJBB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4)sc3nc2c1 4959801 UPRJQDOMNHTQTJ-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB COc1ccc2c(C)cc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2c1 5688638 NXOCBDDWDFBOSZ-UHFFFAOYSA-N 398.440 4.619 5 40 GJBB CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccccc1 408562489 QCSSMXTYIAZAPA-DQRAZIAOSA-N 395.484 4.838 5 40 GJBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc2ncsc2c1 4088519 RRKAECAFDHEOAT-UHFFFAOYSA-N 388.455 4.642 5 40 GJBB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc([N+](=O)[O-])c3)c2C1 5938399 LOJFGFIHUQYSPM-CQSZACIVSA-N 376.412 4.625 5 40 GJBB Cc1ccc([C@H]2CCCN2C(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12537757 FLDZQEQWXWMRPI-JOCHJYFZSA-N 396.490 4.827 5 40 GJBB CN(C)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] 72229393 CWZALYBWOSFVKG-UHFFFAOYSA-N 388.638 4.873 5 40 GJBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 6249435 UWYMWGGSHNZEGW-LLVKDONJSA-N 393.365 4.501 5 40 GJBB Cc1cc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(C)C)cc1Cl 2063546 FIAGFMDGHYJLDV-UHFFFAOYSA-N 378.768 4.807 5 40 GJBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)cc1 6478810 XZCHCRAJAUYULX-UHFFFAOYSA-N 390.395 4.513 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 72229941 YMDWGOVJHFESSD-IBGZPJMESA-N 382.803 4.582 5 40 GJBB Cc1cc(N2CC[C@@H](C)C[C@@H]2c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 89600675 YXMCXUFXDRFOAV-RDTXWAMCSA-N 378.432 4.931 5 40 GJBB CNc1ccccc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6288146 VDJJXZAIIZSCSP-UHFFFAOYSA-N 378.384 4.786 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2410435 WGEAMBULRZNZSG-OAHLLOKOSA-N 383.455 4.563 5 40 GJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc2ncsc2c1 4088419 JKVDSWDJPXZXJV-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB COc1ccc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 15833795 FSJOBVZZYFHXAU-AWEZNQCLSA-N 394.431 4.557 5 40 GJBB Cc1cccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)c1[N+](=O)[O-] 24753682 LUALEMQRFXQPMI-UHFFFAOYSA-N 392.459 4.698 5 40 GJBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 59294402 AJPLAXMUMQAKOK-UHFFFAOYSA-N 395.755 4.763 5 40 GJBB Cc1c(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cccc1[N+](=O)[O-] 80346166 SBSYVFHODYTKPB-UHFFFAOYSA-N 395.488 4.537 5 40 GJBB CCN(CC)CCC[C@H](C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 3093077 VVUUFOROTMXSJP-IBGZPJMESA-N 397.519 4.748 5 40 GJBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl 6320561 XTXGPHCDXRFCPH-UHFFFAOYSA-N 395.271 4.989 5 40 GJBB CCN(CC)C[C@H](OC(C)=O)c1ccc2ccc3ccc(OC(C)=O)cc3c2c1 6382424 CQEYFYDSZBGCCW-DEOSSOPVSA-N 393.483 4.864 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@H](c3ccc(Cl)cc3Cl)C(O)=C1N2 104240053 CVJIXMBDJHOQOE-OAHLLOKOSA-N 378.171 4.898 5 40 GJBB CC(C)CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2242555 WAJRLFOAABIYOM-UHFFFAOYSA-N 389.503 4.846 5 40 GJBB Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3nc2c1 4959799 BVQAIANJPFFCOY-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB O=c1[nH]c2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1Sc1ccccn1 20353862 OIOJHCHBSBPXQL-UHFFFAOYSA-N 375.409 4.650 5 40 GJBB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 218119477 CDDIMKDSAZTGGN-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 1084388 UIQRZGLZDWPCJR-UHFFFAOYSA-N 377.356 4.811 5 40 GJBB C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 16273142 MJIPZKPNXCNNOI-OAHLLOKOSA-N 387.505 4.870 5 40 GJBB COc1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 57315772 UZCHAXLDGMBBPA-UHFFFAOYSA-N 386.448 4.697 5 40 GJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 408628379 SCVFVQPDFUQFHA-UHFFFAOYSA-N 391.880 4.807 5 40 GJBB O=C(OCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5900436 BYLWTKOCYDNHAY-UHFFFAOYSA-N 395.798 4.836 5 40 GJBB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6475473 AFULXJFBMOJUAY-UHFFFAOYSA-N 389.411 4.678 5 40 GJBB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12764077 BIYCTXLXXKNFCL-HNDWGLKSSA-N 386.835 4.634 5 40 GJBB COc1ccc(CN2COc3cc(C)c4c(oc(=O)c5ccccc54)c3C2)cc1 55393846 SMPGZSQKESTSQS-UHFFFAOYSA-N 387.435 4.615 5 40 GJBB biogenic O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872378 SGYWDQXTPZOBCU-PZJXHRPNSA-N 386.498 4.662 5 40 GJBB C[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(Cl)c1 3381904 LPTCLUOLTJSTMG-GFCCVEGCSA-N 399.786 4.936 5 40 GJBB O=[N+]([O-])c1ccc(/C=C/c2nn3c(CSc4ccccc4)nnc3s2)cc1 8393271 ZEEAFFJCMPKWEC-DHZHZOJOSA-N 395.469 4.557 5 40 GJBB Cc1ccc(C2=NN3[C@H](c4ccc([N+](=O)[O-])cc4)Oc4ccccc4[C@H]3C2)o1 934710 VGDNVYIZLTYGJF-NQIIRXRSSA-N 375.384 4.739 5 40 GJBB Cc1cc(C)cc(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c1 32117674 SKXPWIPBOCNUEW-UHFFFAOYSA-N 389.484 4.700 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 59465943 SAYNLBRHONWWSD-FPYGCLRLSA-N 381.613 4.663 5 40 GJBB O=c1[nH]c2c(s1)[C@@H](/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100872376 SGYWDQXTPZOBCU-SAIMDBRYSA-N 386.498 4.662 5 40 GJBB CCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225866022 PWTUFYJSFZJVCS-UHFFFAOYSA-N 397.475 4.928 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(CO)c3ccccc32)o1 226768581 UHCIKYRXQVXNER-UHFFFAOYSA-N 390.395 4.607 5 40 GJBB S=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@@H](c2ccccc2)C1 408973889 CFSLBSBIVNTDGX-GOSISDBHSA-N 384.508 4.969 5 40 GJBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F 3235352 XFFGMCUMKWLHRL-UHFFFAOYSA-N 375.743 4.603 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2cccs2)n1 15589906 FRXLPXKPWUZYOX-LBPRGKRZSA-N 387.486 4.542 5 40 GJBB Cc1cccc(OCc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)c1 409180441 STZLERZNUWLALK-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2302813 KDGTZEWDJUJXHR-UHFFFAOYSA-N 397.482 4.701 5 40 GJBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)cc2)c1 8738794 KGAHNPHTGYTDKU-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB Cc1cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)ccc1[N+](=O)[O-] 72229945 XECMHQBWLNTNIM-HXUWFJFHSA-N 396.830 4.891 5 40 GJBB Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)ccc1[N+](=O)[O-] 9668727 ZJEOKDZJDMDXRS-UHFFFAOYSA-N 387.395 4.641 5 40 GJBB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)o1 409180470 UAPHEZNBDJBXQI-UHFFFAOYSA-N 385.759 4.678 5 40 GJBB Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c(C)c1 4553116 NTHZNLNZIXMODZ-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB COc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2312919 OJQPOYNQGGSIKA-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB Cc1ccc(-n2ccnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C)c1 6315080 BHCXENDHLVNAJD-UHFFFAOYSA-N 397.456 4.556 5 40 GJBB O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1ccnc(Oc2ccccc2)c1 79056806 XTFNZJUFAITYJT-UHFFFAOYSA-N 386.367 4.583 5 40 GJBB CCCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408749125 DQNSZIVUJTYMPI-UHFFFAOYSA-N 399.453 4.507 5 40 GJBB Cc1ccc(Nc2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 856332 WBQUCTFMGJKMKY-UHFFFAOYSA-N 379.397 4.877 5 40 GJBB CC(=O)Oc1cn(-c2ccc(C)c(C)c2)c2nc(C)n3c4ccccc4nc3c12 2242404 USSLOYVCLPMOHY-UHFFFAOYSA-N 384.439 4.677 5 40 GJBB CN(Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 32900656 JICHATDXTPKLNB-UHFFFAOYSA-N 381.476 4.541 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(Nc2ccc(F)cc2)CC1 59949796 QGHJJTVOURRDTD-UHFFFAOYSA-N 383.345 4.834 5 40 GJBB S=C(Nc1cc2ccncc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1 408974323 FCYMUFGAEPXWKS-GOSISDBHSA-N 384.508 4.969 5 40 GJBB O=C1C[C@H](c2ccco2)Sc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 5053384 ZLFDGQRVHCDECZ-LJQANCHMSA-N 380.425 4.958 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2cccs2)n1 15589904 FRXLPXKPWUZYOX-GFCCVEGCSA-N 387.486 4.542 5 40 GJBB CCOc1ccccc1NC(=O)[C@@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 5109075 LDCZUOQOJCLHIN-NRFANRHFSA-N 392.411 4.752 5 40 GJBB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8470808 FCDXSCVYIJTERA-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2ccccc2c1 24233626 CVGBNWFEXJKYAE-ZDUSSCGKSA-N 384.819 4.658 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c(Cl)c1 59465945 FZKPDQSHYZGFRP-QPJJXVBHSA-N 381.613 4.663 5 40 GJBB Nc1c(C(=O)c2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)ccc12 5338519 DNCXQHZZQKGZNO-UHFFFAOYSA-N 375.409 4.685 5 40 GJBB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c12 40130880 GMEGIVOWRXRRCS-UHFFFAOYSA-N 380.404 4.522 5 40 GJBB O=C(Oc1ccc(Br)cc1)c1cccc2nc3ccccc3nc12 85344894 AJDDYURFDDUQIB-UHFFFAOYSA-N 379.213 4.765 5 40 GJBB Cc1ccc2nc(S[C@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 6649720 BYMDQNWNGPIYQU-LLVKDONJSA-N 381.417 4.683 5 40 GJBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 8279176 BCKHRVNIAICEKD-JTQLQIEISA-N 375.837 4.691 5 40 GJBB COc1ccc(C(C)(C)C)cc1NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 12606775 WTZDHRYFIZKKNU-UHFFFAOYSA-N 385.464 4.732 5 40 GJBB O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1 36640184 SVEUJOQBDGLDIX-SYQRAZLKSA-N 398.611 4.781 5 40 GJBB Cc1ccccc1-n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2255037 OWNPYFCYYSBZEG-UHFFFAOYSA-N 395.466 4.707 5 40 GJBB O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 1512578 DUWSOBJAJLYBNW-UHFFFAOYSA-N 385.335 4.571 5 40 GJBB CCCCn1c(=O)nc2n(-c3cccc4ccccc34)c3ccccc3cc-2c1=O 3770961 IXPWJLDUHCLUML-UHFFFAOYSA-N 395.462 4.606 5 40 GJBB COc1ccc(C(=O)c2c3ncn4c5ccccc5nc4c3c3ccccn23)cc1 31848413 UAJHOIXRUDJWDK-UHFFFAOYSA-N 392.418 4.528 5 40 GJBB O=[N+]([O-])c1ccc(C2=NNC(c3cccnc3)=Nc3c2ccc2ccccc32)cc1 4129820 PIZDIKDKWFUSKU-UHFFFAOYSA-N 393.406 4.577 5 40 GJBB O=C(Nc1cccc(Br)c1)c1cccc2nc3ccccc3nc12 9910285 UDKXBZVCGVRHIA-UHFFFAOYSA-N 378.229 4.798 5 40 GJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3OC(F)F)nc12 13643640 COVCCQVPRGQXHH-UHFFFAOYSA-N 397.410 4.772 5 40 GJBB O=C(Nc1oc2ccccc2c(=O)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 101192107 GOILEYLRHUVGNL-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB O=[N+]([O-])c1c(O)nc(/C=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)nc1O 409330310 KYZPZOLNKMZCPZ-UTCJRWHESA-N 394.170 4.533 5 40 GJBB C[C@@H]1c2ccccc2C2(CCCC2)CN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4904927 USLFBHNVGZBRAL-CQSZACIVSA-N 395.415 4.532 5 40 GJBB O=C(Nc1ccccc1C(=O)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 8470694 TVBZLHUOOCFPOZ-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB Cc1ccc(Sc2ccc(NC(=O)CCn3cnc([N+](=O)[O-])c3)cc2)cc1C 12795067 YQICOESPKWJVHV-UHFFFAOYSA-N 396.472 4.588 5 40 GJBB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc([N+](=O)[O-])cc1 4691588 ACNDSENYPVNFHT-UHFFFAOYSA-N 395.271 4.989 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(C(C)C)cc3)nc12 10010617 XXKYQCFWPFOCHM-RMKNXTFCSA-N 397.456 4.988 5 40 GJBB CC(C)CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 2969119 YRYVHGDDHRWCRK-UHFFFAOYSA-N 379.445 4.601 5 40 GJBB O=[N+]([O-])c1cc(-c2nc(-c3ccc(Br)cc3)no2)ccc1Cl 7781286 CCPNRWGMSUBHQW-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 8317315 JYRNUSPBQMYIEI-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(Cl)cc1Cl 20141042 QIVOJKVYQZIMIS-UHFFFAOYSA-N 389.578 4.506 5 40 GJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F 408604806 FHAICAUEUOMBAH-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB O=c1[nH]c2cc([N+](=O)[O-])ccc2c(-c2ccccc2)c1Sc1ccccn1 9192582 ABTNQYFRODZKQJ-UHFFFAOYSA-N 375.409 4.650 5 40 GJBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccc([N+](=O)[O-])c1 4176307 WMUFXEQELGQTNU-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB CNc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1[N+](=O)[O-] 32845436 SDQQEKBXZNEPJU-UHFFFAOYSA-N 387.486 4.602 5 40 GJBB CC(=O)Oc1cn(CCC2=CCCCC2)c2nc(C)n3c4ccccc4nc3c12 13228196 OZTKAEXYXOFJRM-UHFFFAOYSA-N 388.471 4.961 5 40 GJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1F 15327088 RBVSEZXRKJPLDF-QHHAFSJGSA-N 399.603 4.802 5 40 GJBB Cc1ccc(-[n+]2c(-c3cccc([N+](=O)[O-])c3)cn3c2CCc2ccccc2-3)cc1 26442367 RNOOZKPQZZARKG-UHFFFAOYSA-N 382.443 4.736 5 40 GJBB C[N+]1(C/C=C/c2ccccc2)CC[N+](C)(Cc2ccc(C(F)(F)F)cc2)CC1 4109894 MZOGWIGJAIVTJD-RMKNXTFCSA-N 390.493 4.826 5 40 GJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl 205655497 HANUZKARPGRQJJ-VIZOYTHASA-N 392.795 4.624 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1O[C@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C 4794395 AMKZQFXNBZADOW-FGZHOGPDSA-N 378.428 4.667 5 40 GJBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835564 XFNNZVHLPCFHJN-FQEVSTJZSA-N 391.452 4.999 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC 19161477 YQIUOGWCRRYIFE-UHFFFAOYSA-N 378.812 4.688 5 40 GJBB C[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1Cl 57525057 RNZAUXMSTROMLU-SNVBAGLBSA-N 383.231 4.619 5 40 GJBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1 224365122 WWZVZQCBZILKPT-UHFFFAOYSA-N 392.411 4.825 5 40 GJBB Cc1ccc(OCCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 1914074 YRXVABUKJRENPN-UHFFFAOYSA-N 385.445 4.619 5 40 GJBB Cc1ccc(Sc2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])cc1 12942935 XZBCRXTXZYDFLI-UHFFFAOYSA-N 393.420 4.984 5 40 GJBB COc1ccc2cc(COC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c(Cl)nc2c1 11584064 VJRYOBNUWBDIGE-VMPITWQZSA-N 398.802 4.562 5 40 GJBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 19167858 SHUCKYQUKUMEIN-UHFFFAOYSA-N 383.360 4.856 5 40 GJBB Cc1ccc(N[C@H](C[N+](=O)[O-])c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 3282586 PQHXDCHDEDTJNC-JOCHJYFZSA-N 399.454 4.673 5 40 GJBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 4571341 KMYORFJVNHKUBJ-ANRSDYALSA-N 377.853 4.863 5 40 GJBB Cc1ccc(CNc2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])cc1 8587066 BSOHHMBFAQOCRU-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB aggregator O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Cl)c1 33599439 NLAUJHQMSJGBRU-UHFFFAOYSA-N 390.892 4.989 5 40 GJBB C[C@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 84656305 GHBZEVOTFGWURQ-SUMWQHHRSA-N 396.472 4.812 5 40 GJBB COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 408556209 JAEGDDAMEWOUKA-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB CC(=O)Nc1ccc(NC(=O)c2sccc2Oc2ccc([N+](=O)[O-])cc2)cc1 3125654 NGSIMAQKDMHZLH-UHFFFAOYSA-N 397.412 4.659 5 40 GJBB Cc1c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] 8719158 KEYFRFKHHUIGIJ-UHFFFAOYSA-N 381.436 4.605 5 40 GJBB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 14649195 CHEORCWQBJXWRA-UHFFFAOYSA-N 393.237 4.789 5 40 GJBB O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl 79093629 XJMKIQYVITYOHK-AWEZNQCLSA-N 386.757 4.601 5 40 GJBB O=Cc1cc([N+](=O)[O-])ccc1Sc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 409274880 GNDBCVDJRNGXJI-UHFFFAOYSA-N 395.227 4.650 5 40 GJBB CSc1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10252311 HKLAOGSAXDRTPD-UHFFFAOYSA-N 391.499 4.683 5 40 GJBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1 224092448 YOEXLEHMITZQCJ-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB Cc1cccc(NC(=O)COc2ccccc2CNc2ccc([N+](=O)[O-])cc2)c1 408608049 MJKALRJXANGLMO-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB COc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 2251018 ZRSXJGTYMWQZKX-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1 5576382 RPCMIVJSIQEICY-UHFFFAOYSA-N 393.472 4.509 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)cc1 59409082 BHJVQGOMCKGVHP-NRFANRHFSA-N 391.452 4.871 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc2noc(-c3ccccc3)c2c1 5034799 ROGPEYPETDKTQZ-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 408563257 UZPKGKZPLMOTLU-DQRAZIAOSA-N 395.484 4.838 5 40 GJBB COc1ccc(-c2cc(C)nc(Sc3ccc([N+](=O)[O-])cc3C(C)=O)n2)cc1 408582692 PAASVEWYTNOSLP-UHFFFAOYSA-N 395.440 4.723 5 40 GJBB CC(C)c1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1 27664558 RJORFMVFXJCGLY-UHFFFAOYSA-N 375.428 4.960 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(C)c2ccc(C)cc2)cc1 95471651 HAABRLXFBUYTKV-UHFFFAOYSA-N 391.427 4.932 5 40 GJBB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1cccc([N+](=O)[O-])c1 409104225 GQEKELBALYVXGJ-UHFFFAOYSA-N 382.489 4.725 5 40 GJBB Cc1ccc(C)c(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])c1 4817298 ZCMMBWLOSKGGBH-UHFFFAOYSA-N 381.436 4.872 5 40 GJBB CCc1ccc([C@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cccs2)cc1 5406077 PJCNEPCMNFWWIY-FQEVSTJZSA-N 396.468 4.747 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1[N+](=O)[O-] 5754058 SDTOHKAFXMGIQN-UHFFFAOYSA-N 382.416 4.645 5 40 GJBB O=C(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 8470803 HXCGHOYGLLCUGG-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB COc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1Cc1ccccc1 12040638 LSPMAJXDOCADRN-UHFFFAOYSA-N 376.412 4.755 5 40 GJBB O=C(c1ccccc1)N1c2ccc([N+](=O)[O-])cc2Sc2cc([N+](=O)[O-])ccc21 4958241 LFZLMRMJHAILBM-UHFFFAOYSA-N 393.380 4.946 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 5008045 HZZFNGAMLJHHNQ-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 50571165 ACMWUQQCJBBTNT-CQSZACIVSA-N 375.476 4.771 5 40 GJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1 2247980 RDTRNRNDSBLBMG-UHFFFAOYSA-N 397.482 4.502 5 40 GJBB CCCc1nc(=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1-c1ccccc1 4847949 WIHMYXRGPFHBJY-UHFFFAOYSA-N 399.450 4.973 5 40 GJBB O=C(Nc1ccc(Br)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4893814 GOIISZPQQHEJCD-UHFFFAOYSA-N 387.189 4.870 5 40 GJBB O=[N+]([O-])c1ccc(N=P(c2ccccc2)(N2CCCC2)N2CCCC2)cc1 5577460 KYWNNNVHNNDFGL-UHFFFAOYSA-N 384.420 4.775 5 40 GJBB O=C(NCCSCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 7270778 OGWIBOOAKHOKHX-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB Cc1cccc(C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] 21773081 LMBNFKRDPHJNLL-UHFFFAOYSA-N 387.848 4.856 5 40 GJBB CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1cccc([N+](=O)[O-])c1 65090426 ZYVLVHRHDRCJKT-GOSISDBHSA-N 378.365 4.649 5 40 GJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1F 106697194 JOAWZBFSKCUNEP-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5254481 OMIQRHKBIWNJNR-UHFFFAOYSA-N 397.774 4.513 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)/C(=C\c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100045995 IGBYQHMFVDFJBZ-LZYBPNLTSA-N 389.323 4.981 5 40 GJBB Cc1c(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cccc1[N+](=O)[O-] 8562747 OKMKSQNWLAVYHO-MRXNPFEDSA-N 376.412 4.976 5 40 GJBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 72229357 HQKKOKDYNXFBDX-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB CCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976433 RCYFAKXYLKNHNQ-UHFFFAOYSA-N 398.495 4.576 5 40 GJBB Cc1cccc(OCc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)c1 409178280 LTRSIBJDKAWAMM-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 682002439 XAMMYWNXRMHVQE-AWEZNQCLSA-N 386.426 4.580 5 40 GJBB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])o1 830444 HLBXBUBUOGUJGW-UHFFFAOYSA-N 383.747 4.902 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 990258 CKYBOPWQGGJPQG-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB COc1ccc(Nc2nc(Nc3cc(C)ccc3C)nc(C)c2[N+](=O)[O-])cc1 5337229 KGLXYYXWNTTXJF-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)n1CCc1cccs1 14013579 RZIQCBPGEKWTHW-UHFFFAOYSA-N 384.457 4.579 5 40 GJBB Cc1nc2oc3ccccc3c(=O)c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 1387351 XNYXSTJUSOSLCZ-UHFFFAOYSA-N 398.340 4.921 5 40 GJBB CCOc1ccccc1NC(=O)[C@H](Oc1ccccc1[N+](=O)[O-])c1ccccc1 5109072 LDCZUOQOJCLHIN-OAQYLSRUSA-N 392.411 4.752 5 40 GJBB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409018937 ZKDZQEXUYBVQCW-WOJGMQOQSA-N 398.440 4.619 5 40 GJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C12CC3CC(CC(C3)C1)C2 5175263 QBBOEPMNDWHKBV-UHFFFAOYSA-N 383.473 4.873 5 40 GJBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1ccccc1Cl)C3 19882362 KSFUOJXTLZHCLI-UHFFFAOYSA-N 377.827 4.952 5 40 GJBB biogenic O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(C1CCCCC1)C1CCCCC1 3196079 JWEGWNSUPXGPFP-UHFFFAOYSA-N 375.425 4.611 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1O[C@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C 4794393 AMKZQFXNBZADOW-FCHUYYIVSA-N 378.428 4.667 5 40 GJBB Cc1cc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C)c1Cl 14396397 PEKVLLCSCZXENS-NSHDSACASA-N 383.231 4.924 5 40 GJBB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Cl)c([N+](=O)[O-])c1 4406997 BKVKHOFOGGELEQ-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)c1 5034676 FOXLSXDRNAJSKT-NTEUORMPSA-N 383.407 4.773 5 40 GJBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 6526761 GYXJHXAJMCLIEX-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB COc1ccc(-c2noc(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)n2)cc1 8586891 YXVQCIDOUAPGCX-UHFFFAOYSA-N 380.404 4.675 5 40 GJBB O=C(NC1CC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 12900974 CJSAGDMODIRCRO-UHFFFAOYSA-N 382.363 4.657 5 40 GJBB Cc1ccc(C)c(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3Cl)nn2)c1 408527475 FRAWTQJKIQKZKG-UHFFFAOYSA-N 383.791 4.541 5 40 GJBB Cc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1C 865539 AXWSKRLBWRNAPW-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB CCCCSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)Nc1ccc(F)cc1 6668337 OBJZNGOCKHIAHP-UHFFFAOYSA-N 393.396 4.787 5 40 GJBB Cc1cn(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc12 64867922 LLRWKAGTTWELDS-UHFFFAOYSA-N 392.440 4.620 5 40 GJBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\Sc3ccccc3NC2=O)o1 409093518 AJUOWCCQWXSASM-ODLFYWEKSA-N 394.408 4.949 5 40 GJBB FC(F)(F)c1cc(-c2cccs2)nc2sc3c(ncn4ncnc34)c12 1022032 OGYOLESDBZEJPL-UHFFFAOYSA-N 377.376 4.635 5 40 GJBB O=C(NCCCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10110173 IGONMTJYNXPVSN-PTGBLXJZSA-N 386.451 4.884 5 40 GJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cnc2ccccc2c1C(F)(F)F 22868655 CCFGKZQKOLQPCD-UHFFFAOYSA-N 376.290 4.519 5 40 GJBB Cc1cc(N[C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(F)cc1[N+](=O)[O-] 1651605589 OWLPWJRNEVVJEP-JTQLQIEISA-N 376.775 4.919 5 40 GJBB CCN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 5552313 XQAHQRFUEXYCIT-RIYZIHGNSA-N 378.793 4.564 5 40 GJBB CC(=O)Oc1cn([C@@H](C)c2ccccc2)c2nc(C)n3c4ccccc4nc3c12 13211647 BXTACLSBDDLDCG-AWEZNQCLSA-N 384.439 4.680 5 40 GJBB CSc1ccc(-c2csc(NC(=O)c3csc([N+](=O)[O-])c3)n2)cc1 40141309 KXRXQQGFLZSCFC-UHFFFAOYSA-N 377.472 4.754 5 40 GJBB O=C(c1csc([N+](=O)[O-])c1)N(Cc1cccs1)c1ccc(F)cc1F 58402025 DGBQIMSBSMCQMG-UHFFFAOYSA-N 380.397 4.843 5 40 GJBB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C 107999010 UGDFZHFOBUDKDO-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1O[C@@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C 4794390 AMKZQFXNBZADOW-VXKWHMMOSA-N 378.428 4.667 5 40 GJBB O=[N+]([O-])c1cc(Br)ccc1N[C@@H](c1ccccc1)c1ccccn1 58406620 QGTSYBKLQFXKBV-SFHVURJKSA-N 384.233 4.954 5 40 GJBB O=C(Nc1ccc(Br)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 59288931 DHUQQVZSZBAFMS-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 72229339 AEUQHKWXVSYZID-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB O=C(NCCSCc1ccccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 409183558 BVMOLTROXAQTTJ-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1 5091465 UWJLTIHYTZXZJH-UHFFFAOYSA-N 395.422 4.911 5 40 GJBB CC(C)C(=O)Oc1cn(C2CC2)c2nc(C(C)C)n3c4ccccc4nc3c12 13238149 WFYFIJUFWNYTDA-UHFFFAOYSA-N 376.460 4.857 5 40 GJBB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 4678288 UCCSQUJKLKLDPS-UHFFFAOYSA-N 397.232 4.678 5 40 GJBB Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 107716599 HCGBWZLCXXRALB-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)n1 20897607 ZLVCKELNBVFUJG-OAHLLOKOSA-N 378.432 4.999 5 40 GJBB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 215255293 HFKKFUACHGJXPR-WOJGMQOQSA-N 382.441 4.955 5 40 GJBB O=c1sc(-c2ccccc2)nc(Nc2cccc3ccccc23)c1[N+](=O)[O-] 408731324 JSOPQRZYXBWHNE-UHFFFAOYSA-N 375.409 4.975 5 40 GJBB O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 830427 NFDAYXPKMUAGNK-UHFFFAOYSA-N 397.774 4.826 5 40 GJBB Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1C 4817229 CPMXZRIFIUEVFD-GFCCVEGCSA-N 381.436 4.728 5 40 GJBB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5827378 ANOMCYWQQNAYGS-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccccc2)c1 6927557 VSVWYSLLAHNRLH-UHFFFAOYSA-N 391.387 4.883 5 40 GJBB O=c1[nH]c2cc(Br)c(Cl)cc2c2ccc(Br)cc12 8628477 SCMSABGFNJINKU-UHFFFAOYSA-N 387.458 4.860 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(F)cc1F)CO2 2123456 GIROBZVGPDYEDB-UHFFFAOYSA-N 379.362 4.889 5 40 GJBB biogenic CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CCC(c2ccccc2)CC1 58412937 XPGHQHJPCXMGAC-UHFFFAOYSA-N 377.444 4.875 5 40 GJBB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 953140 HSICFPMHNJASKQ-SNVBAGLBSA-N 391.836 4.572 5 40 GJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)cc1 2448596 BQOFLBVFADLWQC-HNNXBMFYSA-N 397.482 4.817 5 40 GJBB O=[N+]([O-])c1cc(NC(=S)SCc2ccc3c(c2)OCO3)ccc1Cl 6513388 LYDKRIWRFSTARN-UHFFFAOYSA-N 382.850 4.607 5 40 GJBB O=C(CSC1=Nc2ccccc2CS1)N1CCCc2cc([N+](=O)[O-])ccc21 16547470 WQXBSZOTGMSWGL-UHFFFAOYSA-N 399.497 4.542 5 40 GJBB O=c1[nH]c(-c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc2sc3c(c12)CCCC3 27534748 JTBDKMQYOBUIDM-UHFFFAOYSA-N 393.424 4.699 5 40 GJBB O=[N+]([O-])c1ccc2nc(NCc3ccccc3)c(NCc3ccccc3)nc2c1 1027720 GMEPTCOHLYNIMB-UHFFFAOYSA-N 385.427 4.762 5 40 GJBB S=c1[nH]nc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 1257919 AHLLMJWLDSOKIM-UHFFFAOYSA-N 375.482 4.705 5 40 GJBB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3[N+](=O)[O-])sc2C)cc1 6217308 HZMPPTDOGCCOOP-UHFFFAOYSA-N 383.429 4.596 5 40 GJBB O=[N+]([O-])c1ccc(COc2cccc(CNc3cccc([N+](=O)[O-])c3)c2)cc1 408556985 MCVCXZBUKORMIP-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)c1 408624745 ZOBWXALTPNFWDN-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc2ccc(C(F)(F)F)cc2[nH]1 1137530262 AANKECPPIODBAD-UHFFFAOYSA-N 397.740 4.678 5 40 GJBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(Cl)c([N+](=O)[O-])c1 7779050 VQMSGMUOMQANMW-UHFFFAOYSA-N 385.832 4.723 5 40 GJBB CC1CC[N+](C)(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 9763900 SJIFWINOXMELCP-CDTFFMPLSA-N 398.611 4.771 5 40 GJBB CCN(CC)c1nc(C)c(C(=S)Nc2cc([N+](=O)[O-])ccc2Cl)s1 13636267 DKCVZWQRTVXRGB-UHFFFAOYSA-N 384.914 4.647 5 40 GJBB O=C(NCCSC1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 225224706 AALVPLSAVHBKNR-LTGZKZEYSA-N 396.512 4.927 5 40 GJBB O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 3470924 CAZCOOAAQSBATR-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1csc(-c2ccccn2)n1 4051733 DQQAIWDLHYZBNB-UHFFFAOYSA-N 394.378 4.787 5 40 GJBB COc1ccccc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C(C)C 79464270 QMEYFRNDGUMYOW-UHFFFAOYSA-N 389.411 4.998 5 40 GJBB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 224862372 WPGHPUFQKNPWJL-UHFFFAOYSA-N 395.415 4.528 5 40 GJBB O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)Nc1cccc2ccccc12 408535203 YJEDAWBCLKLVJL-VAWYXSNFSA-N 396.406 4.857 5 40 GJBB Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)cc1 5207496 UUMRMZBZOLDECW-UHFFFAOYSA-N 390.446 4.863 5 40 GJBB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 6313384 NHKKUHJDLMFLDG-UHFFFAOYSA-N 396.871 4.582 5 40 GJBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 68933011 NNWRRLZHOAODCD-UHFFFAOYSA-N 382.203 4.502 5 40 GJBB COC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 820427 IBYLZNSMCSAEOS-KQWNVCNZSA-N 381.431 4.937 5 40 GJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)cnc32)c1 2426275 ULZLIWGNNBUURC-UHFFFAOYSA-N 397.482 4.638 5 40 GJBB O=C(Nc1ccccc1C(=O)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 3018614 PZVQVIMZJKWFNI-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB Cc1cccc2oc3cc(N4CCCC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c12 4817322 GTMPTLBELXLFBK-UHFFFAOYSA-N 396.446 4.850 5 40 GJBB Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1Cc1cccs1 6599493 RLMCPJZAAXUVLE-UHFFFAOYSA-N 388.420 4.524 5 40 GJBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2ccc(Cl)cc2)c1[N+](=O)[O-] 9358873 LOTCSBVODMXVBU-UHFFFAOYSA-N 391.218 4.761 5 40 GJBB Cc1ccc(NC(=O)[C@H](Sc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 11225419 SUTVBKCZORZGER-LJQANCHMSA-N 379.441 4.770 5 40 GJBB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])no2)cc1 46086276 YSDNWGUNYNIBAM-UHFFFAOYSA-N 381.388 4.681 5 40 GJBB CN(c1ccccc1)c1c(Br)cc([N+](=O)[O-])cc1Br 226316950 UJTLESAOLCTIKN-UHFFFAOYSA-N 386.043 4.888 5 40 GJBB O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21 247379443 IXMNKTUICILJED-HJNYFJLDSA-N 386.407 4.764 5 40 GJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 409180422 SHPWGXLIXMTYHO-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1cccc2c(=O)c3c(O)cc(OCC(=O)c4ccc(Cl)cc4)cc3oc12 5205398 IEIWZGBOWUOBFE-UHFFFAOYSA-N 394.810 4.875 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1Cl 6260150 HQKUIUPPLOUEFJ-QPJJXVBHSA-N 381.613 4.663 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccc(F)cc3)o2)c(Cl)c1 7524395 VPODBGHLHVQILP-UHFFFAOYSA-N 389.814 4.849 5 40 GJBB Cc1ccc(-n2nnc(-c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c2C)cc1C 12415595 DRULYBOIXKTTBO-UHFFFAOYSA-N 391.456 4.891 5 40 GJBB CC(C)(C)C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F 14241392 UFVUACRBFAMZMA-UHFFFAOYSA-N 391.420 4.657 5 40 GJBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1cccs1)c1c[nH]c2ccccc12 28289247 OXKCAMMVDXPMDC-FQEVSTJZSA-N 391.452 4.999 5 40 GJBB CNc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 33502249 QZOHUNRYLVMQPF-RAXLEYEMSA-N 383.429 4.652 5 40 GJBB COc1ccc(C(=O)Nc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1OC 408977574 WSHSYZSGAIUXAF-UHFFFAOYSA-N 398.422 4.534 5 40 GJBB Cc1nc(CSc2nc3cc([N+](=O)[O-])ccc3o2)c(Br)s1 4248240 CDQBBLYOPOKSSL-UHFFFAOYSA-N 386.252 4.556 5 40 GJBB COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 5218410 AAOZGJUVYHZCOH-UHFFFAOYSA-N 388.383 4.691 5 40 GJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1[C@H](c1ccccc1)c1ccc(Cl)cc1 59459360 YKBDWPIKGIWLRR-LJQANCHMSA-N 392.798 4.634 5 40 GJBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1Cl 829415 RXEDVKYPGCQIFT-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1ccc(F)cc1)CO2 19890909 PVZQNDVPLZXYGV-UHFFFAOYSA-N 389.426 4.788 5 40 GJBB CCCCN(C)C(=O)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 25607052 SQORRTZQKIYPMC-UHFFFAOYSA-N 375.856 4.732 5 40 GJBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 6225065 VAFLFSRYWGQAIA-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[N+](=O)[O-])C1 6249522 RZTWIGQQRUWZCM-LBPRGKRZSA-N 391.830 4.876 5 40 GJBB O=C(COc1ccccc1Cl)Nc1ccc2c(=O)c3ccccc3oc2c1 6660338 LJHVPOGODBTCSP-UHFFFAOYSA-N 379.799 4.617 5 40 GJBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 8279180 BCKHRVNIAICEKD-SNVBAGLBSA-N 375.837 4.691 5 40 GJBB CC1(C)CCc2c(cc3oc4cc(O)c5c(c4c(=O)c3c2O)CCC(C)(C)O5)O1 14766825 QFURCBFEIGTKCW-UHFFFAOYSA-N 396.439 4.565 5 40 GJBB endogenous,in-man O=C(Nc1ccc(Br)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 7748368 CMYFUUKZKJRRAH-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB O=C(O)c1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@@H]12 6277037 IXMNKTUICILJED-BAGYTPMASA-N 386.407 4.764 5 40 GJBB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 19597961 WVVYWRBYTCVEBB-UHFFFAOYSA-N 390.317 4.804 5 40 GJBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc2ccccc12 829667 FNGASRDGBKIIQX-ZDLGFXPLSA-N 378.771 4.746 5 40 GJBB O=c1c2c(-c3cccc([N+](=O)[O-])c3)csc2ncn1Cc1ccc(Cl)cc1 951899 IIOOGJYTEYHXOI-UHFFFAOYSA-N 397.843 4.735 5 40 GJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(F)cc32)cc1 4954634 KIGPUXFAMLSECR-UHFFFAOYSA-N 394.793 4.821 5 40 GJBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 106689332 QTBWKLMXTKVQEK-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB O=[N+]([O-])c1ccc(OCc2ccccc2F)c(/C=C2\SC(=S)N=C2O)c1 13898490 FOWOANYXCPUXGM-NVNXTCNLSA-N 390.417 4.642 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1F)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595952 NHJVDLDYWBWCEN-UHFFFAOYSA-N 395.755 4.763 5 40 GJBB C[C@@H](Cc1nc2ccccc2s1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 84641002 QPPQUOWNAUEPBD-JTQLQIEISA-N 390.852 4.611 5 40 GJBB Cc1c(C(=O)NCc2cccc(COCc3ccccc3)c2)cccc1[N+](=O)[O-] 32925144 XAXUVSWHHJRFHH-UHFFFAOYSA-N 390.439 4.550 5 40 GJBB C[C@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2s1 89913749 NJOGJLOCQRAUMI-NSHDSACASA-N 381.413 4.533 5 40 GJBB CC(C)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C(C)C)c1 1264486513 XXFCUQBCAYJKHW-NRFANRHFSA-N 395.459 4.973 5 40 GJBB CC(C)(C)c1ccccc1NC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 1562138204 SUJCYYXQAPAMQW-UHFFFAOYSA-N 379.420 4.926 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)cc1 2309212 QYCOJFVKYZBEBL-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 6526188 ASYPDLKJUNGQCG-OMCISZLKSA-N 386.835 4.761 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904097 SPYNFKVCQFPWJR-NTEUORMPSA-N 394.427 4.736 5 40 GJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1[N+](=O)[O-] 408993043 BPDNQPLLFFNOIT-XEHFDHBKSA-N 394.427 4.598 5 40 GJBB COc1ccc([N+](=O)[O-])cc1C1N(c2ccccc2)CCN1c1ccccc1 2027253 XHTNFZHNDXRWBI-UHFFFAOYSA-N 375.428 4.629 5 40 GJBB O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccco2)n1-c1ccccc1 2349741 CQMFDEQHLUFZIF-UHFFFAOYSA-N 378.413 4.728 5 40 GJBB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 12814027 MWDCRGIIWLFDHV-CSPWOOARSA-N 376.865 4.859 5 40 GJBB Cc1cccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3cccc(C)c3)c2C)c1 17079088 PDQUXQACWOEBPG-UHFFFAOYSA-N 387.443 4.753 5 40 GJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccco1)Cc1cccs1 24458984 FOPKJLZRDQIARC-UHFFFAOYSA-N 376.821 4.745 5 40 GJBB C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 222905199 RAQKLCINPBWFLJ-OAHLLOKOSA-N 384.501 4.584 5 40 GJBB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4545489 VDLOEIHCOXIVQR-DYZYQPBXSA-N 387.461 4.609 5 40 GJBB C[C@H](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cc2ccccc2o1 8239295 YVRUPDSJNLNMER-JTQLQIEISA-N 389.205 4.595 5 40 GJBB CN(C)c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] 72229392 BKWFAMVBAUIQBV-UHFFFAOYSA-N 388.638 4.873 5 40 GJBB C[C@@H](OC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nc2ccccc2s1 89913750 NJOGJLOCQRAUMI-LLVKDONJSA-N 381.413 4.533 5 40 GJBB Cc1cc(C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1[N+](=O)[O-] 408562864 GEWYOUHQSUFYKF-UHFFFAOYSA-N 399.299 4.873 5 40 GJBB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 5382984 IYYJIAJNEXBTPF-QFIPXVFZSA-N 386.411 4.523 5 40 GJBB Cc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408572684 RSZUHOZMVMHNDO-QGZVFWFLSA-N 388.880 4.648 5 40 GJBB C[C@]12C[C@@H](NC(=O)N1c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O2 2687610 TVSOLXAZAHLXCF-DYVFJYSZSA-N 394.214 4.671 5 40 GJBB O=[N+]([O-])c1cc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc([N+](=O)[O-])c1 6224522 KOAOBEQQXKTMSL-UHFFFAOYSA-N 381.131 4.527 5 40 GJBB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3[N+](=O)[O-])ccc21 6248896 FPWZYAIPPJEZNX-UHFFFAOYSA-N 389.411 4.740 5 40 GJBB O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408906522 GMRRETHIWPFFFH-XDHOZWIPSA-N 388.379 4.503 5 40 GJBB O=[N+]([O-])c1ccccc1C1N(c2ccc(F)cc2)CCN1c1ccc(F)cc1 2322766 ZGHOKIXITREECD-UHFFFAOYSA-N 381.382 4.898 5 40 GJBB O=C(Oc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1[N+](=O)[O-] 3200150 AOVYIUAZHMCEHG-UHFFFAOYSA-N 380.312 4.515 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)cs1 7820660 QMHDVLADIOXARH-UHFFFAOYSA-N 393.877 4.672 5 40 GJBB O=c1[nH]c2c(s1)[C@@H](/C=C/c1ccccc1[N+](=O)[O-])[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859715 SGYWDQXTPZOBCU-BRQRVYEMSA-N 386.498 4.662 5 40 GJBB CC(C)(C)c1ccc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 2429848 LEPZWUJOWSZQKO-UHFFFAOYSA-N 394.431 4.514 5 40 GJBB CC(C)c1ccc(N2C(=S)N[C@@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)cc1 4193157 OWNNOGNQZXDQHL-XFPJRNFQSA-N 397.500 4.899 5 40 GJBB Cc1cc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)ccc1[N+](=O)[O-] 4713593 XTRZPWUBEXZOOE-UHFFFAOYSA-N 377.356 4.731 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC 8266660 PHCQXHIBBZBTGX-UHFFFAOYSA-N 392.839 4.996 5 40 GJBB Cc1ccc(Sc2ccc(NC(=O)CCn3cnc([N+](=O)[O-])c3)cc2)c(C)c1 12525448 SYCJTVRZQTWOLV-UHFFFAOYSA-N 396.472 4.588 5 40 GJBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1 408582250 MNPLBXOOTNRWBP-UHFFFAOYSA-N 398.488 4.535 5 40 GJBB O=[N+]([O-])c1ccc2c(cnn2CN2CCCC[C@@H]2c2nc3ccccc3s2)c1 23855999 IHNFJPLIFLPTOL-GOSISDBHSA-N 393.472 4.739 5 40 GJBB Cc1nc2c(sc3cc([N+](=O)[O-])cc(Sc4ccccc4)c32)c(=O)n1C 1097264 OTOXJWWNNLALRG-UHFFFAOYSA-N 383.454 4.516 5 40 GJBB Cc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1[N+](=O)[O-] 4580330 ODWFIGRFNGMYHE-UHFFFAOYSA-N 375.380 4.610 5 40 GJBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 9426170 HYNXEAHJIQGMHB-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc2ccccc12 39759877 BNNSPUBGGMRWHN-UHFFFAOYSA-N 376.397 4.519 5 40 GJBB O=C(OCC12C3c4ccccc4[C@@H]1[C@@H]2c1ccccc13)c1ccc([N+](=O)[O-])cc1 44628576 PUCXQQXPKBPWFS-NPXOOMFISA-N 383.403 4.778 5 40 GJBB COc1ccc(-c2n[nH]cc2/C=C/c2nc3cc([N+](=O)[O-])ccc3s2)cc1 65549132 FKLAOOVCIUJSAH-RUDMXATFSA-N 378.413 4.774 5 40 GJBB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 216437975 MOCXPJYMSXBYJX-KRWDZBQOSA-N 376.840 4.774 5 40 GJBB CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408571379 OOADPHZDUCIDTG-IBGZPJMESA-N 382.489 4.557 5 40 GJBB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408623376 SZDJGLATCLNUEQ-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc2ccccc2c1 4079013 GAPBPCKBGMBNSG-UHFFFAOYSA-N 376.397 4.519 5 40 GJBB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409197744 NUIPCLACEJGTKA-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(C3CCCCC3)nc21 2225483 NAVMXZARPKOINF-UHFFFAOYSA-N 391.515 4.801 5 40 GJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(C(F)(F)F)c1 4071756 OONQVCKJNVUNNN-UHFFFAOYSA-N 393.346 4.989 5 40 GJBB Cc1ccc(-c2ccc3c(N)c(C(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1 12250928 YLFBVUSLZJWSCY-UHFFFAOYSA-N 389.436 4.993 5 40 GJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])s1 12527132 ZEPXLNYWAYRTJJ-UHFFFAOYSA-N 385.367 4.528 5 40 GJBB Cc1sc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1[N+](=O)[O-] 31808216 JAPMWGWKBKVCLY-UHFFFAOYSA-N 381.385 4.619 5 40 GJBB O=[N+]([O-])c1cccc(F)c1CN(Cc1nc(C2CCCCCC2)no1)C1CC1 89768118 LVQOPBLHDKQHHB-UHFFFAOYSA-N 388.443 4.719 5 40 GJBB C[C@H]1C[C@H](C)CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C1 226316570 UZJPAJAZYPYEOS-IUCAKERBSA-N 392.091 4.602 5 40 GJBB Cc1ccc(-c2cc(C)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 409385402 KVENZDWFNDPOCM-UHFFFAOYSA-N 382.401 4.728 5 40 GJBB O=C(COc1ccccc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 5995765 YOQUZIAOICODAT-UHFFFAOYSA-N 394.810 4.722 5 40 GJBB Cc1ccc(/C=C/c2nn(-c3ccc([N+](=O)[O-])cc3)c3c(=O)ccccc23)cc1 4667312 ACVYJLPBGBPVBU-XNTDXEJSSA-N 383.407 4.773 5 40 GJBB O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc2ccccc12 5605009 SOMVTEYTCLILNU-UHFFFAOYSA-N 384.823 4.635 5 40 GJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@H]1COc2ccccc21 58729649 TZDZZQDCZRTJSV-JICACKBISA-N 392.436 4.586 5 40 GJBB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 217871831 OLVNEXGSTOQZCI-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 4072368 FERPKYBBYQVHCW-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc2ccccc2c1 2197944 YHFDMCAYZYQTJH-ZDLGFXPLSA-N 378.771 4.746 5 40 GJBB COc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1[N+](=O)[O-] 4739341 CWESBQGEMAVARR-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc([N+](=O)[O-])ccc1Cl 9511516 KWYGFCAQUMNURO-UHFFFAOYSA-N 398.831 4.877 5 40 GJBB Cc1ccc(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)cc1[N+](=O)[O-] 24833029 AUWICAFXRHRSRQ-UHFFFAOYSA-N 392.459 4.698 5 40 GJBB CC(C)CN(Cc1ccccc1Br)Cc1cc(O)ccc1[N+](=O)[O-] 1657544114 XBKHVYAIEPZAJQ-UHFFFAOYSA-N 393.281 4.721 5 40 GJBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1[N+](=O)[O-] 839008 OZOBLBORKSDVQF-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1[N+](=O)[O-] 4176252 GNZYEVANJZGXQJ-UHFFFAOYSA-N 375.409 4.709 5 40 GJBB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc([N+](=O)[O-])cc4C)sc3nc2c1 4959798 XOSYFPAWIHXAAW-UHFFFAOYSA-N 392.440 4.809 5 40 GJBB CCOc1ccc(N(CC(=O)c2ccc([N+](=O)[O-])cc2)C2=NCCCCC2)cc1 6870369 DASVSFDHZSFTEE-UHFFFAOYSA-N 395.459 4.655 5 40 GJBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C2CC2)cc1 24831076 SIKUUXYEBWYBKG-ZDUSSCGKSA-N 388.851 4.698 5 40 GJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 408621931 MSWQVNADJSJJST-HWKANZROSA-N 396.186 4.770 5 40 GJBB O=C(Nc1nc2c(F)cc(F)cc2s1)c1cc2cc([N+](=O)[O-])ccc2s1 4264231 HDUAGZNINAHKMZ-UHFFFAOYSA-N 391.380 4.950 5 40 GJBB O=C(C[C@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 12547148 BPPXQHGWOAOYRD-GOSISDBHSA-N 399.406 4.711 5 40 GJBB O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1ccc([N+](=O)[O-])cc1 36748172 IKVGBMYNYWGCBN-UHFFFAOYSA-N 388.832 4.658 5 40 GJBB Cc1nc2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1 6216179 VAOMZKJJZWGCKI-UHFFFAOYSA-N 396.472 4.756 5 40 GJBB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 6595611 KWJYMLVVLRNEKV-HXUWFJFHSA-N 379.343 4.515 5 40 GJBB Cc1c(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cccc1[N+](=O)[O-] 20141026 WDRFSPGLLYOOLP-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB O=C(Nc1ccc2c(c1)OCO2)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408923259 GPTZGIQKSVCFLZ-XDHOZWIPSA-N 388.379 4.503 5 40 GJBB Cc1ccc(OCc2csc(Cc3ccc(Cl)cc3)n2)c([N+](=O)[O-])n1 32325516 ZQKSZJLRLNEKFI-UHFFFAOYSA-N 375.837 4.578 5 40 GJBB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 218123841 DWXUYBDTDXBQHC-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1 224092522 UVNCLYICJAGJPI-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB COc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)cc1 2200168 OWVHBGUXZHXPJT-UHFFFAOYSA-N 380.381 4.500 5 40 GJBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc2oc3ccccc3c2c1 14898658 BKHOEQPEKNNZHF-UHFFFAOYSA-N 375.384 4.935 5 40 GJBB C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[N+](=O)[O-])C1 105766786 WIIDXBCSSUKCJO-LSDHHAIUSA-N 387.505 4.726 5 40 GJBB CCOP(=O)(OCC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 2270663 MVAYPTGJTOPCSH-GOSISDBHSA-N 394.364 4.980 5 40 GJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2425282 HKIYYEMIEDSBEZ-UHFFFAOYSA-N 397.482 4.619 5 40 GJBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 14898885 HNIFCRKJGLCMEG-UHFFFAOYSA-N 387.745 4.708 5 40 GJBB C[C@H](Sc1nnc(-c2nnc(-c3ccccc3)o2)o1)c1cccc([N+](=O)[O-])c1 32922486 XKXDVAASNSLYJU-NSHDSACASA-N 395.400 4.548 5 40 GJBB CC(C)(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 2054888 QWAIZKZIMIIKPK-YBEGLDIGSA-N 384.819 4.890 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(Cl)cc3)nc12 10010613 YVCCPZHSQYVYLN-QPJJXVBHSA-N 389.820 4.518 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145209 GKITVDYAWGOQEQ-RUDMXATFSA-N 398.802 4.652 5 40 GJBB COc1ccc([C@H](CC(=O)c2ccc(F)cc2)Cc2onc(C)c2[N+](=O)[O-])cc1 19872750 NWQQNBLRSMXHCS-MRXNPFEDSA-N 398.390 4.638 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c([N+](=O)[O-])c1 727024 QRKASHQCXAAOPH-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12 2326377 RXWYDJGIPKMRIN-UHFFFAOYSA-N 392.480 4.660 5 40 GJBB aggregator COc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 15833792 FSJOBVZZYFHXAU-CQSZACIVSA-N 394.431 4.557 5 40 GJBB O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCC1 408975080 JSZHASLWSXERQZ-UHFFFAOYSA-N 394.438 4.507 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21 2247444 GCTSCCJAMHWBPO-UHFFFAOYSA-N 377.492 4.531 5 40 GJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CC(C)C 5150422 SEKGRGQVCHZUDM-UHFFFAOYSA-N 377.492 4.531 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc12 10010550 UDDPUHJNVBPNMR-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]12 14186261 IXMNKTUICILJED-NNWRFLSQSA-N 386.407 4.764 5 40 GJBB Cc1cccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)c1 20897644 VCOCCJQVELBFFY-UHFFFAOYSA-N 378.432 4.857 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(Br)ccc2o1 41007296 GPTWKEANJOZGBA-UHFFFAOYSA-N 375.178 4.664 5 40 GJBB COc1ccc([C@H](C[N+](=O)[O-])c2c(-c3ccccc3)n(O)c3ccccc23)cc1 955778 AXGWDCONMXHSTN-FQEVSTJZSA-N 388.423 4.963 5 40 GJBB CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408565952 DJJRAFBUGGKZGH-HXUWFJFHSA-N 396.516 4.865 5 40 GJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])cc1 1312931 PMAOMMCUIJLMIU-UHFFFAOYSA-N 393.365 4.856 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 8286220 ZHBQIZCXWZXPMV-UHFFFAOYSA-N 378.812 4.688 5 40 GJBB O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cc3)s2)cc1 8431049 CLKZBXRSMYGAHL-UHFFFAOYSA-N 392.443 4.657 5 40 GJBB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 6081111 ZWWQXZDQJUPUFL-HNNXBMFYSA-N 396.472 4.517 5 40 GJBB CC(C)[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 54667136 KGOVYUZFWZENJM-SFHVURJKSA-N 376.840 4.602 5 40 GJBB C[C@@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 32787352 GMBMHBVRBQPWON-SECBINFHSA-N 378.215 4.874 5 40 GJBB CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409101029 OQKCCLRUAWNTLT-RIYZIHGNSA-N 378.793 4.564 5 40 GJBB COc1ccc(NCc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409115906 IIFWPKAWFRZRQH-UHFFFAOYSA-N 395.371 4.916 5 40 GJBB COc1ccc(-c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3o2)cc1 872561 NBKYUMSCQVRQBR-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB CC(=O)Nc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 8072084 QABAKBNZUXASTH-UHFFFAOYSA-N 389.820 4.674 5 40 GJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2402809 BRPSGZAFIVDTLP-CQSZACIVSA-N 383.455 4.563 5 40 GJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 4129794 CXBHGRDUUIVFEV-UHFFFAOYSA-N 376.803 4.682 5 40 GJBB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215019290 ACCWEXTVGXIEBU-VCHYOVAHSA-N 393.424 4.621 5 40 GJBB Cc1ccc(C[N+](C)(C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 226072060 PNHFZTJYKJKATN-XMMPIXPASA-N 376.520 4.678 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1[N+](=O)[O-] 408994815 JNFZNQDVWFFRAU-HKYMTKPZSA-N 395.415 4.808 5 40 GJBB Cc1ccc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2Nc2ccccc2)cc1 999304 IJKQZZIHKOGIEZ-RCCKNPSSSA-N 398.422 4.560 5 40 GJBB COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] 2521493 AHGMXAFUHVRQAD-UHFFFAOYSA-N 375.686 4.846 5 40 GJBB O=C(c1ccccc1)c1ccc(NC[C@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 30859809 TVSGHNQAQGSHCO-FQEVSTJZSA-N 396.830 4.625 5 40 GJBB CCCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 408598880 CBYUVKGIQKZWPE-PDGQHHTCSA-N 398.440 4.620 5 40 GJBB CCCc1noc(CSc2nc3ccccc3c3nc4ccccc4n23)n1 32905356 GMVDPRKVPBXHFA-UHFFFAOYSA-N 375.457 4.664 5 40 GJBB CSc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 5299161 QWONPJBPNSFBNM-UHFFFAOYSA-N 379.850 4.832 5 40 GJBB O=C(COc1cccc(Cl)c1)OCc1cc(=O)oc2ccc3ccccc3c12 5802179 LPHNKCNWHUCJJR-UHFFFAOYSA-N 394.810 4.722 5 40 GJBB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)s2)cc1 12862591 IUTCERBNICDLOC-UHFFFAOYSA-N 397.456 4.808 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc2ccccc2o1 2675156 VNJQSRLWNPGVJB-UHFFFAOYSA-N 385.279 4.814 5 40 GJBB CC(C)N(Cc1ccc(N2CCC[C@@H]2C)nc1)Cc1c(F)cccc1[N+](=O)[O-] 89929878 QHEMZVLFCZKFPQ-INIZCTEOSA-N 386.471 4.528 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408996985 FURYZBAEQKGPHC-CJBVTVNNSA-N 378.428 4.678 5 40 GJBB CCCc1c2cc(OC)c(OC)cc2cc2c3cc(OC)c(OC)cc3cc[n+]12 1583439 ANZWQOAKQUPLDJ-UHFFFAOYSA-N 392.475 4.719 5 40 GJBB O=C(O)c1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]12 6277041 IXMNKTUICILJED-ILWGZMRPSA-N 386.407 4.764 5 40 GJBB O=C(Nc1cccc2nsnc12)c1sc2c([N+](=O)[O-])cccc2c1Cl 8071927 VWGSPZZRWRGOIG-UHFFFAOYSA-N 390.833 4.720 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 223390745 AEYGFQJWKXVTHO-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB CCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102664932 APKJKYYQRLMXLH-INIZCTEOSA-N 399.476 4.606 5 40 GJBB CCCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 6050960 JUWXXQLGJTWQGP-GOSISDBHSA-N 375.856 4.708 5 40 GJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12194891 HJLKVPMAXDNQPE-YLJYHZDGSA-N 377.425 4.899 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] 26603724 LUEVDLSNGGCPGE-KRWDZBQOSA-N 394.258 4.505 5 40 GJBB O=C(CSCc1c(F)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 218199917 OMJCSOTUGFNXJY-UHFFFAOYSA-N 389.235 4.913 5 40 GJBB C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 6060806 BEDOBOYNIAIGHN-SECBINFHSA-N 388.729 4.673 5 40 GJBB Clc1ccc(-c2cc3cc4ccccc4nc3nc2N2CCOCC2)cc1 12942105 KMXMTXCRVINFOX-UHFFFAOYSA-N 375.859 4.940 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 855675 MDEUHEHZLQMQGD-DIFFPNOSSA-N 385.489 4.661 5 40 GJBB Cc1ccc(Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1C 3158321 XQQUGNLZALMLOU-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 6478668 DFCAYDHXFRGTET-SXGWCWSVSA-N 388.832 4.793 5 40 GJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1 7915766 AEBAIVOFEMTWDE-UHFFFAOYSA-N 375.743 4.603 5 40 GJBB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 5716724 NXYVBOYUJZDLEQ-UHFFFAOYSA-N 398.227 4.529 5 40 GJBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C)n1 225859930 KDCPHLHXGOPRPE-UHFFFAOYSA-N 397.475 4.928 5 40 GJBB O=C(c1ccccc1)c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 30859816 TVSGHNQAQGSHCO-HXUWFJFHSA-N 396.830 4.625 5 40 GJBB CSc1ccc(C(=O)NCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] 12613742 BIGSODHANGGSGQ-UHFFFAOYSA-N 399.497 4.679 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 12754506 VLBUPHIKTMIEET-GFCCVEGCSA-N 387.486 4.542 5 40 GJBB CC(C)Cc1noc(CSc2nc3ccccc3c3nc4ccccc4n23)n1 25988995 DRUVUFXDCZQLKW-UHFFFAOYSA-N 389.484 4.910 5 40 GJBB CN(C)P(=Nc1ccc([N+](=O)[O-])cc1Br)(N(C)C)C(C)(C)C 5257674 FPKJXOYJVKOOKQ-UHFFFAOYSA-N 391.250 4.942 5 40 GJBB Cc1c(C(=O)OC(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 8276281 WIIZIWOIOWETFZ-UHFFFAOYSA-N 392.367 4.758 5 40 GJBB O=c1cc(CSc2ncn(-c3ccccc3)n2)c2c(ccc3ccccc32)o1 11476030 MJLBGTVRBJCEAY-UHFFFAOYSA-N 385.448 4.819 5 40 GJBB Cc1nn(-c2ccccc2)cc1NC(=O)c1cccc2nc3ccccc3nc12 95532013 HVVCIRAVQCHISK-UHFFFAOYSA-N 379.423 4.529 5 40 GJBB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Nc1cccc(C(F)(F)F)c1 4428011 UYSNKBFTGQGFCG-UHFFFAOYSA-N 378.266 4.814 5 40 GJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1 12599986 MEAHKQPPZSDOJG-UHFFFAOYSA-N 396.424 4.752 5 40 GJBB COc1ccc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br 391319237 DUMPMAXVVDVVHR-UHFFFAOYSA-N 399.628 4.580 5 40 GJBB C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H](O)c1c(Cl)cccc1Cl 1651565520 NACDGICOQMUZND-XTZNXHDOSA-N 392.242 4.984 5 40 GJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 4713414 KGROYOFBIARRBT-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 5428436 DZEFAGUXTZRSMS-UHFFFAOYSA-N 388.305 4.916 5 40 GJBB COc1ccc(-c2nc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C)cc1 6587876 UMGAEWLWHRXSKS-UHFFFAOYSA-N 383.429 4.596 5 40 GJBB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 21577098 AHBXQFFUBWADHW-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 26604980 MYPMPORVARYPRX-KRWDZBQOSA-N 394.258 4.505 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3145119 SBCHIOAJVQCANU-UHFFFAOYSA-N 390.566 4.716 5 40 GJBB Cc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] 8115161 QLZHEGSMEUHHMT-FQEVSTJZSA-N 378.453 4.753 5 40 GJBB O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F 95428276 WAQXSKZRXKEGOV-LJQANCHMSA-N 386.329 4.532 5 40 GJBB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 225851573 MHEVTLUJHGMCOI-FIIODCPWSA-N 380.444 4.807 5 40 GJBB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408675960 MGUXKHUYTFDXRB-UHFFFAOYSA-N 399.406 4.644 5 40 GJBB C[N+]1(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCCCC1 16975547 NGMSRGMCIPSJRU-UEMNXXGQSA-N 398.611 4.915 5 40 GJBB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1c(F)ccc([N+](=O)[O-])c1F 2380606 LUWVUXDWMBAYPZ-UHFFFAOYSA-N 380.656 4.798 5 40 GJBB Cc1ccc(Cl)cc1Nc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1 6898081 RNALAMOYEALEGK-UHFFFAOYSA-N 391.218 4.882 5 40 GJBB c1ccc(N2CCN(Cn3c4ccccc4c4nc5ccccc5nc43)CC2)cc1 39379175 BJBHKPFMMGNUHZ-UHFFFAOYSA-N 393.494 4.517 5 40 GJBB O=C(/C=C/c1ccccn1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 95430425 SBEZWRYEGGLRDA-RMKNXTFCSA-N 383.454 4.854 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 408996699 MQEBVWFJRVYQIH-BAGYTPMASA-N 386.407 4.764 5 40 GJBB O=C(Nc1cc(Sc2nc3ccccc3s2)cc([N+](=O)[O-])c1)C(F)(F)F 783158 MNZBAUUMXZZTGE-UHFFFAOYSA-N 399.375 4.857 5 40 GJBB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 9226476 FLHGFYYHLHKVSS-UHFFFAOYSA-N 382.203 4.502 5 40 GJBB Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20141155 VYJRPWDNWHDTLQ-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CC(C)C 2408938 UPBQQOWJJXFMKQ-UHFFFAOYSA-N 391.519 4.839 5 40 GJBB Cc1cccc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] 12876489 MMGJXPDGSMIIDW-UHFFFAOYSA-N 390.399 4.800 5 40 GJBB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C 32660118 OTUGBYRFHFCEOK-UHFFFAOYSA-N 385.420 4.650 5 40 GJBB O=[N+]([O-])c1ccc(N(c2ccc([N+](=O)[O-])cc2)c2ccccc2[N+](=O)[O-])cc1 72399475 ZQBKGZJVRNHUHY-UHFFFAOYSA-N 380.316 4.881 5 40 GJBB in-vitro Cc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408567217 GUIPHXPNDWXIAK-LJQANCHMSA-N 382.489 4.611 5 40 GJBB Cc1cccc2c3nc4ccccc4nc3n(CCn3c(=O)oc4ccccc43)c12 5516392 WUXYKRLBOFKSPO-UHFFFAOYSA-N 394.434 4.654 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 248342376 XZKMHNQLUWIQJD-AIPFFWNZSA-N 392.455 4.986 5 40 GJBB Cc1ccc(NC(=O)COc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)cc1 408606566 IRCIJKKMTMKWJC-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB CCCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 1852304 QBDDDXZBGWMWAL-UHFFFAOYSA-N 389.415 4.545 5 40 GJBB O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 12982739 CPAPTDIZFXCPRD-FMQWLBJXSA-N 379.441 4.581 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n([C@H](C)CC)cnc21 2419259 DMYKBHZERKIKAI-OAHLLOKOSA-N 377.492 4.846 5 40 GJBB O=C(c1ccccc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 20120428 VXTSHYIRMLEKQO-HSZRJFAPSA-N 397.434 4.864 5 40 GJBB CCc1cc(NCc2nc3ccccc3s2)nc(-c2ccc([N+](=O)[O-])cc2)n1 64904832 LROVDRSBIAFJRJ-UHFFFAOYSA-N 391.456 4.836 5 40 GJBB Cc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 408577375 ZCMFVHXLYXZSCS-QGZVFWFLSA-N 388.880 4.648 5 40 GJBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 21596070 TWTAOGFCPRBSMP-UHFFFAOYSA-N 399.790 4.654 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(-c2ccccc2)cc1 3332651 WYPHLDFUBUONEK-OAHLLOKOSA-N 391.427 4.710 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1c1nc2ccccc2s1 12980417 WTMVUYGCKXATPI-KQPPXVQYSA-N 379.441 4.581 5 40 GJBB Cc1ccc(NC(=O)c2cccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 4320311 XSOAQBLPGSIXNR-UHFFFAOYSA-N 392.371 4.807 5 40 GJBB CCC(=O)Oc1cn(-c2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 6419124 PPRYHYRPZREZER-UHFFFAOYSA-N 384.439 4.704 5 40 GJBB COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cc1ccccc1 12041705 MMPAXHBGPGWBCT-UHFFFAOYSA-N 376.412 4.755 5 40 GJBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(Br)cc1 2317077 NFEJZFGWSJTEJS-ATJXCDBQSA-N 393.240 4.680 5 40 GJBB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 11717370 PFVMKQZQAAETPP-UHFFFAOYSA-N 393.399 4.702 5 40 GJBB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 225851586 MHEVTLUJHGMCOI-VUVZNRFTSA-N 380.444 4.807 5 40 GJBB Cc1cccc(C)c1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1036286 PPIOXOSERKWQJZ-UHFFFAOYSA-N 384.379 4.961 5 40 GJBB Cc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2-c2ccc(C)cc2)cc1 2443822 CLBMVADKQJOJJE-UHFFFAOYSA-N 394.430 4.776 5 40 GJBB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4856201 QATFOOUWJBLQGF-QFIPXVFZSA-N 385.423 4.895 5 40 GJBB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 4856204 QATFOOUWJBLQGF-JOCHJYFZSA-N 385.423 4.895 5 40 GJBB CCc1nc2c(c(=O)n1[C@@H](C)CC)c1nc3ccccc3nc1n2-c1ccccc1 5021727 UDMQGDVWNBGVNN-HNNXBMFYSA-N 397.482 4.817 5 40 GJBB Cc1ccc(NCc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 6389622 FUBSFLFXVWINJV-UHFFFAOYSA-N 376.412 4.872 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 6478800 ONHZDKQPIQYASR-UHFFFAOYSA-N 390.395 4.513 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(C)C 32796873 XNBNANLBEPPNOX-UHFFFAOYSA-N 382.395 4.604 5 40 GJBB O=[N+]([O-])c1cccc(/C=C/c2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193947 STWYGKJNPBTILT-CMDGGOBGSA-N 389.396 4.678 5 40 GJBB Cc1noc(/C=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1[N+](=O)[O-] 408542533 JZQSXQNOUXTYTQ-DAXSKMNVSA-N 375.724 4.883 5 40 GJBB Cc1noc(/C=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1[N+](=O)[O-] 408542714 KRDNNBIWVLZRQM-DAXSKMNVSA-N 375.724 4.883 5 40 GJBB Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccccc1 409100577 UYQMZUIKTPDNCQ-UHFFFAOYSA-N 380.351 4.654 5 40 GJBB Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)c1[N+](=O)[O-] 12908514 HKYXERKJCLJPFL-UHFFFAOYSA-N 379.441 4.768 5 40 GJBB C[C@H](c1cccc2ccccc12)N(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 32911854 LZFFPHUUIYNYRV-OAHLLOKOSA-N 396.468 4.662 5 40 GJBB O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 100477284 WQPXJBSTCKHICC-ZHZULCJRSA-N 385.379 4.519 5 40 GJBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OCC 408617362 BYNXDLOPJIEPMD-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2434022 LLCPIJVKESKLJI-HNNXBMFYSA-N 383.455 4.563 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)c1c(-c2cccc([N+](=O)[O-])c2)cc2ccccn12 3195112 YSWIREVXPATJCV-UHFFFAOYSA-N 387.351 4.654 5 40 GJBB Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 4892603 WOVGKBFCLVETKA-UHFFFAOYSA-N 391.383 4.658 5 40 GJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3[S@](=O)[C@@H](c3ccccc3)C2)cc1 5890659 MZVYOXUGAVSNHD-JIPXPUAJSA-N 376.437 4.968 5 40 GJBB O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1ccccc1F 7978647 YMUXCJFBCOFSTH-UHFFFAOYSA-N 380.379 4.528 5 40 GJBB Cc1noc(C[C@H](CC(=O)c2ccc(F)cc2)c2ccc(F)cc2)c1[N+](=O)[O-] 19872741 VOGKJMCKEQOGLY-HNNXBMFYSA-N 386.354 4.769 5 40 GJBB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] 5195976 GQBDWKBQWPACSU-UHFFFAOYSA-N 391.408 4.829 5 40 GJBB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 12533657 KFWRVFANDZIBPO-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 72229943 OGHRWSBIYRJGJH-IBGZPJMESA-N 382.803 4.582 5 40 GJBB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1ccc(Cl)c([N+](=O)[O-])c1 4032477 QWXSLCIFJHSAMT-UHFFFAOYSA-N 398.831 4.877 5 40 GJBB Cc1ccc2c(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cccc2n1 10372871 CDLCUKPHZQNADP-UHFFFAOYSA-N 375.428 4.902 5 40 GJBB CC(C)Sc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408749305 FNUSULRPPHMEIR-UHFFFAOYSA-N 399.453 4.506 5 40 GJBB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 675489 JKWAXXSBODOGOQ-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)/C(Br)=C/c1ccccc1 955915 DFZXDBWSIGYGDC-WQLSENKSSA-N 381.613 4.623 5 40 GJBB CN(C)c1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 6027042 JPUOXDFZYPZSFM-UHFFFAOYSA-N 392.411 4.810 5 40 GJBB O=C(OCc1ncc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 7231206 OTYLHWQOAMLFMK-UHFFFAOYSA-N 380.381 4.822 5 40 GJBB Cc1cc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)ccc1[N+](=O)[O-] 13673933 ROMWTLPDUUTVOB-UHFFFAOYSA-N 394.402 4.551 5 40 GJBB O=C(c1ccc2sc3nc4ccccc4nc3c2c1)N(CCO)c1ccccc1 408976902 UTDYMKPPHYXKCV-UHFFFAOYSA-N 399.475 4.637 5 40 GJBB O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 849492 IUNBNLRFZPLDJD-UHFFFAOYSA-N 392.234 4.700 5 40 GJBB CC[C@H]1CCCCN1C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 4199231 VFHMMKKEAMZKKJ-HNNXBMFYSA-N 399.403 4.700 5 40 GJBB CCCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4ccccc4c(n1)c23 6624508 BMRPRJAQOZZGGO-UHFFFAOYSA-N 383.451 4.512 5 40 GJBB biogenic Cc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 6309214 XMQOHNAWIWNDJP-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB CCCCn1c(-c2ccccc2Cl)nc2oc3ccccc3c(=O)c2c1=O 2240991 ZBYWIHLBDUDEFS-UHFFFAOYSA-N 380.831 4.623 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nc(C(F)(F)F)c2c1CCCC2 12396600 IOYOBQDVPLTLCK-UHFFFAOYSA-N 379.260 4.697 5 40 GJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C 408610001 PZNWSHFIDVRJLV-UHFFFAOYSA-N 395.253 4.765 5 40 GJBB O=C(CSc1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4496555 BLGNPUPBQWYYTG-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCCC1 6767977 IGELZSSNOGRHFN-UHFFFAOYSA-N 399.494 4.729 5 40 GJBB Cc1ccc(C)c2sc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)nc12 9192285 KCOGGLOEJVSDDD-UHFFFAOYSA-N 396.472 4.674 5 40 GJBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc12 73642577 ZHOKEBVGRFZGQW-UHFFFAOYSA-N 394.168 4.570 5 40 GJBB O=C(Nc1cc(F)ccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17081229 PQFBDKCZHRMRGR-UHFFFAOYSA-N 397.328 4.605 5 40 GJBB O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])o2)N1c1ccc(F)cc1Cl 54683185 QXSWRROCAGSUQW-QGZVFWFLSA-N 387.754 4.751 5 40 GJBB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 225860147 CXACSODKKVHWRU-UHFFFAOYSA-N 391.427 4.602 5 40 GJBB C[C@@H]1CCC[C@@H](C)N1c1c(Br)cc([N+](=O)[O-])cc1Br 226316606 GBDXVIUTHMRMOA-RKDXNWHRSA-N 392.091 4.887 5 40 GJBB CCOC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc12 2749920 UNOPEQSDKSGZLH-FMIVXFBMSA-N 396.424 4.638 5 40 GJBB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2Cl)c1[N+](=O)[O-] 4625354 HZPGZJYEFNVCAR-UHFFFAOYSA-N 379.597 4.519 5 40 GJBB Cc1c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] 10542697 HCPQPFJHZIPAKG-UHFFFAOYSA-N 394.402 4.551 5 40 GJBB O=c1c2ccccc2oc2nc(C3CCCCC3)n(Cc3ccccc3)c(=O)c12 2435950 UXZCJEFWKCJBCJ-UHFFFAOYSA-N 386.451 4.599 5 40 GJBB CC[N+](CC)(CC)[C@H]1Nc2ccc(C)cc2[C@@](c2ccccc2)(C(F)(F)F)N1 19331267 SIIICMKOALRNTO-SFTDATJTSA-N 392.489 4.976 5 40 GJBB Cc1ccc(NC(=O)[C@@H](OC(=O)C2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 6376587 CEURUGICJASAIL-FQEVSTJZSA-N 396.443 4.707 5 40 GJBB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 12533569 NMBVJWTXDQYHDD-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1[N+](=O)[O-] 12537953 XLCWHFBMSNXACU-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB CCCCn1c(-c2ccc(Cl)cc2)nc2oc3ccccc3c(=O)c2c1=O 2351403 IALFMVOVLBTXNV-UHFFFAOYSA-N 380.831 4.623 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)n1 8587100 ABZRNUKOIMSZTD-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 20141120 AELJAYLABYXFTE-UHFFFAOYSA-N 389.578 4.506 5 40 GJBB COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 24832731 JWGWAPSKFXSXGI-CYBMUJFWSA-N 388.851 4.698 5 40 GJBB CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 25256627 NJAVBYNCKIZTCV-UHFFFAOYSA-N 377.444 4.617 5 40 GJBB Cc1ccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 106701769 XPKDLLFDFUEDEV-SXGWCWSVSA-N 388.832 4.793 5 40 GJBB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225022297 LVDCEVNVZASFHS-UHFFFAOYSA-N 398.440 4.602 5 40 GJBB COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 408616987 AXSBIJFGUNRYQD-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@@H]23)c1 408988625 FCIYTMMCQRATJY-FCEUIQTBSA-N 387.395 4.974 5 40 GJBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccccc2)c([N+](=O)[O-])c1Oc1ccccc1 8385796 CVKQDOWEAOSVKH-UHFFFAOYSA-N 397.299 4.996 5 40 GJBB C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(OC(F)(F)F)cc1 31953618 MBLJEHSXXAHOEE-VIFPVBQESA-N 388.729 4.638 5 40 GJBB COc1ccc(C(=O)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1OC 38190212 BYLCJHKCAQEPJA-UHFFFAOYSA-N 399.406 4.501 5 40 GJBB O=Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc12 226769273 SLZMGAWKSGUTOF-UHFFFAOYSA-N 394.770 4.964 5 40 GJBB O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 2655677 BMHYLARUXVSVKZ-UHFFFAOYSA-N 399.406 4.805 5 40 GJBB O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/c1cccs1)c1cccs1 3252774 WRDNPDKSFCSSJR-LFIBNONCSA-N 399.449 4.685 5 40 GJBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 19600486 AFZDDVAKBHUVND-UHFFFAOYSA-N 394.383 4.672 5 40 GJBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(=O)c1ccccc1 5735421 SXLXSDFKCMFAKS-UHFFFAOYSA-N 394.814 4.660 5 40 GJBB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 103005078 DGOPYRWJPNTGBB-RGEXLXHISA-N 399.406 4.543 5 40 GJBB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)c1cccc([N+](=O)[O-])c1 1447961 BDDUQQZNAVPABT-UHFFFAOYSA-N 387.347 4.587 5 40 GJBB biogenic CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(CC)cc1 5249600 IXQHFHYMCGIPFQ-UHFFFAOYSA-N 397.482 4.564 5 40 GJBB COc1cccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)c1 54278241 MFDJDZOQLBOMJS-UHFFFAOYSA-N 387.435 4.615 5 40 GJBB Cc1cc(NC(=O)c2ccc(COc3cccnc3[N+](=O)[O-])cc2)ccc1Cl 9379172 AXLVKJNRUTVIDZ-UHFFFAOYSA-N 397.818 4.783 5 40 GJBB O=[N+]([O-])c1ccc(N2CCCCCC2)c([C@H]2OCCCN2Cc2ccccc2)c1 59489914 XMUJSEMQRYDARC-HSZRJFAPSA-N 395.503 4.896 5 40 GJBB C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1Cl 57525054 RNZAUXMSTROMLU-JTQLQIEISA-N 383.231 4.619 5 40 GJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3[S@@](=O)[C@H](c3ccccc3)C2)cc1 5890662 MZVYOXUGAVSNHD-IDISGSTGSA-N 376.437 4.968 5 40 GJBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 5931177 MXXRDWVBIHPMFX-UHFFFAOYSA-N 385.773 4.594 5 40 GJBB CCc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2CC)cc1 6709549 UVHVPFDTTHSDKT-UHFFFAOYSA-N 398.488 4.640 5 40 GJBB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 408628618 VJLTTWIFPQBMPK-UHFFFAOYSA-N 387.395 4.641 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc(-c2nc3ccccc3o2)cc1 408628738 WUAGSKKXUWIUBM-JLHYYAGUSA-N 399.406 4.733 5 40 GJBB O=[N+]([O-])c1cncc(Cl)c1OCc1nc(-c2c(F)cccc2F)cs1 506576732 FUGOXTZBDWMZMK-UHFFFAOYSA-N 383.763 4.624 5 40 GJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2398060 OTVDQBFYAOCFJV-HNNXBMFYSA-N 397.482 4.871 5 40 GJBB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 23113903 CSBFZDQZRGLSLI-SNVBAGLBSA-N 397.656 4.844 5 40 GJBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)Nc1ccc2c(c1)OCO2 3235728 VQTCKJFSSFXPAM-UHFFFAOYSA-N 399.402 4.517 5 40 GJBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)NC2CCCCCC2)n1 3428179 BSYFHPAJCXNVAV-UHFFFAOYSA-N 391.518 4.964 5 40 GJBB O=C1CC(Nc2cccc([N+](=O)[O-])c2)=NN1c1c(Cl)cc(Cl)cc1Cl 4108447 OWDMXAKKMUMBJI-UHFFFAOYSA-N 399.621 4.717 5 40 GJBB CC(C)c1ccc([C@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 8128354 SSSQLWCNSDOLAL-ZDUSSCGKSA-N 375.856 4.661 5 40 GJBB CC(C)c1nnc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)s1 12742990 RYNQOVCGEZSHRZ-UHFFFAOYSA-N 383.433 4.566 5 40 GJBB COc1cccc(/C=C(/C(=O)OCc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 3398315 KVTMMXXIESVSEI-PXLXIMEGSA-N 389.407 4.887 5 40 GJBB O=c1[nH]c2cc(Br)cc(Cl)c2c2ccc(Br)cc12 16952998 WSIKQNSRQMINHF-UHFFFAOYSA-N 387.458 4.860 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)cc1 408557200 NNEOXEMDGHIFOX-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB CC(C)(C)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])c(O)cc(c34)C2=O)cc1 1299063 HGQQEYCTXRYLIQ-UHFFFAOYSA-N 390.395 4.552 5 40 GJBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1C1CCCC1 2256567 ADRPJVRRJNJVHT-UHFFFAOYSA-N 387.487 4.915 5 40 GJBB Cc1ccc(NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)c([N+](=O)[O-])c1 5033345 QCKKRXSZBOTGJT-UHFFFAOYSA-N 381.344 4.632 5 40 GJBB Cn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(C(C)(C)C)cc1 6597788 LNGIFNOIKLJEGN-UHFFFAOYSA-N 382.489 4.980 5 40 GJBB Cc1ccc(C)c(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1 2249259 SVRXGHPWBZXPNO-UHFFFAOYSA-N 397.482 4.556 5 40 GJBB Cc1ccc(Nc2nc(COC(=O)c3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 3360403 JSHPANDHAZTUKI-UHFFFAOYSA-N 383.429 4.769 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408996988 FURYZBAEQKGPHC-GAMLAWPCSA-N 378.428 4.678 5 40 GJBB Cc1ccc(-c2nc(N3CCOCC3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 2705600 TYLUIXGBKDOPAS-UHFFFAOYSA-N 381.457 4.530 5 40 GJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccccc2F)cc1 7597541 HKERGSRAXNJILY-UHFFFAOYSA-N 381.359 4.671 5 40 GJBB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1[N+](=O)[O-] 12930341 BNHPESUGDGMTBO-UHFFFAOYSA-N 394.412 4.729 5 40 GJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc2ccccc12 408628685 VYGIQKRNCWHZNB-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 6304959 GLNIEMYHZQQMEH-UHFFFAOYSA-N 396.871 4.582 5 40 GJBB O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 113835279 OXRIBQGBUFDGJX-QGOAFFKASA-N 391.408 4.626 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408619605 KADCGAXPYIYLGP-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2253142 IMZPIOFTZPDCHH-OAHLLOKOSA-N 397.482 4.622 5 40 GJBB CC(=O)Oc1cn(C2CCCCCC2)c2nc(C)n3c4ccccc4nc3c12 5453624 IXRJKFULNPMLJA-UHFFFAOYSA-N 376.460 4.966 5 40 GJBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1ccccc1[N+](=O)[O-] 7654977 SMOQPPRFMPMLHM-UHFFFAOYSA-N 390.754 4.708 5 40 GJBB CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 7844116 VMNWKVJCJCMKQG-UHFFFAOYSA-N 382.445 4.793 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997163 HKHZJVKJIJVSIG-UHFFFAOYSA-N 381.388 4.598 5 40 GJBB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O 111507799 LVUUCNSHJIHHKP-VCHYOVAHSA-N 393.424 4.621 5 40 GJBB Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1[N+](=O)[O-] 32772706 CJYVXBQKHVAQAK-KRWDZBQOSA-N 381.457 4.880 5 40 GJBB CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(C)cc1 408564038 XEFVONBSQLESBC-DQRAZIAOSA-N 395.484 4.757 5 40 GJBB Cc1c(NC(=O)CSCc2ccc(Br)cc2)cccc1[N+](=O)[O-] 409410461 NBOFVBNRKMRSJP-UHFFFAOYSA-N 395.278 4.538 5 40 GJBB O=C(CSc1nc2ccccc2[nH]1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 409412462 MIQKQWXQKQWKBV-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB Cn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 4699616 CIAXJYXHIVKKIA-UHFFFAOYSA-N 382.489 4.980 5 40 GJBB Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1Cc1ccco1 5118563 ZQAFATGXTWAKKC-UHFFFAOYSA-N 388.807 4.570 5 40 GJBB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)C1 30945837 FRZKSNBVUYEMCE-CQSZACIVSA-N 387.867 4.732 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 57316057 GGCGIWYPJYADCQ-UHFFFAOYSA-N 377.765 4.623 5 40 GJBB O=[N+]([O-])c1cccnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 65692356 GEQNQJIYCRVTMZ-UHFFFAOYSA-N 383.216 4.639 5 40 GJBB COc1ccc(C(=O)c2ccc(Oc3cccc(C(C)=O)c3)c([N+](=O)[O-])c2)cc1 864921 CWVNEZABXGPRCA-UHFFFAOYSA-N 391.379 4.829 5 40 GJBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1F 5021690 KTRJCCFRLKFRTD-UHFFFAOYSA-N 399.385 4.991 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccco1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100549425 HKIYNAFPKNXQMY-DHDCSXOGSA-N 379.284 4.574 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc(F)c(F)c1)CO2 2124603 VHGIHFIEUPZMOJ-UHFFFAOYSA-N 379.362 4.889 5 40 GJBB biogenic CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1cccs1)c1c[nH]c2ccccc12 28288771 SQPAETCAGFKPTK-HXUWFJFHSA-N 391.452 4.999 5 40 GJBB Cc1ccc(C)c(OCc2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)c1 40127388 YTTBVDUGJUINKJ-UHFFFAOYSA-N 385.445 4.774 5 40 GJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(Br)ccc1Cl 72228643 SQDXTSUPFJOGNG-UHFFFAOYSA-N 383.629 4.880 5 40 GJBB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc([N+](=O)[O-])cc1Cl 6496297 BAHRTMCKZATOKV-UHFFFAOYSA-N 385.832 4.723 5 40 GJBB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20145314 XRDFIKDOZCMADX-PKNBQFBNSA-N 392.367 4.513 5 40 GJBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1 8267479 AQARNTANHKTTMB-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1csc(Nc2ccccc2)n1 23136805 CTDBIZUVZRWDDB-UHFFFAOYSA-N 397.441 4.657 5 40 GJBB Cc1c(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] 72229952 QLQYTIAMKASEDU-FQEVSTJZSA-N 396.830 4.891 5 40 GJBB CC(C)CCSc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 13137355 LCUFQXAUVBTPSE-UHFFFAOYSA-N 388.445 4.714 5 40 GJBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 16273144 MJIPZKPNXCNNOI-HNNXBMFYSA-N 387.505 4.870 5 40 GJBB S=C(Nc1ccc2nc3ccccc3nc2c1)N1CC[C@@H](c2ccccc2)C1 33757984 NCDLFNSCZNENPY-QGZVFWFLSA-N 384.508 4.969 5 40 GJBB CCOc1ccc(OCC)c(NC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 62582068 JSIRJNNYXKATKH-AWEZNQCLSA-N 387.436 4.617 5 40 GJBB COc1ccccc1-c1csc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 4072652 ZKRAYHHMMQCOSJ-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1 12543104 DRPYAMBDCBIFEJ-MRXNPFEDSA-N 396.446 4.778 5 40 GJBB Cc1ccc(NC(=O)COc2cccc(CNc3cccc([N+](=O)[O-])c3)c2)cc1 408558603 RYNYBHMPCOBARB-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB Cc1c(C(=O)Nc2ccccc2F)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931117 MZQQRTSSWHXAJO-UHFFFAOYSA-N 396.403 4.671 5 40 GJBB CC(C)c1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)cc1 33746184 JGQFKOJCASNBPM-UHFFFAOYSA-N 385.445 4.973 5 40 GJBB COc1cc([N+](=O)[O-])c2nc(Nc3nc4cc(Cl)ccc4o3)sc2c1 57352604 XTWMOHJYHZGJCT-UHFFFAOYSA-N 376.781 4.751 5 40 GJBB CC(C)(C)OC(=O)Nc1cccc(-n2cncc2-c2cccc([N+](=O)[O-])c2)c1 585295435 ZGWUPYVXBANLRV-UHFFFAOYSA-N 380.404 4.795 5 40 GJBB O=c1c2ccccc2oc2nc(-c3ccccc3F)n3c4ccccc4nc3c12 5207737 DWEBPNMQQNTTJS-UHFFFAOYSA-N 381.366 4.948 5 40 GJBB O=C(Nc1cccc(Br)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6251255 BEIYSGCXYLCQEM-UHFFFAOYSA-N 387.189 4.870 5 40 GJBB O=C(O)/C=C/c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 2555759 ZGKNZSRLLAQTFL-KRXBUXKQSA-N 380.219 4.606 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 3139945 QAUWHLCCSVVLHE-UHFFFAOYSA-N 377.765 4.623 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1nc(-c2ccccc2)no1 5561670 IKIYGAPVSCMQOE-UHFFFAOYSA-N 386.367 4.564 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 21141689 FYMIHAONWUQXBO-MDWZMJQESA-N 384.395 4.790 5 40 GJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 72228879 ZHJYHTBQMIDBJU-LLVKDONJSA-N 383.231 4.924 5 40 GJBB C[C@@H](NC(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1)c1ccc([N+](=O)[O-])cc1 1177588080 RJUCXHRCKXOTPY-SNVBAGLBSA-N 377.322 4.586 5 40 GJBB O=C(COc1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1Cl 3382514 KHSASOIEHXYTRQ-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB COc1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)c([N+](=O)[O-])c1 6080609 KZTCFXDGNJEVHT-UHFFFAOYSA-N 387.244 4.641 5 40 GJBB Cc1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c([N+](=O)[O-])n1 7982064 CPNMIAGDPMYMOF-UHFFFAOYSA-N 382.376 4.901 5 40 GJBB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])cc1C 9245582 NMQWKXZSIPPRAA-UHFFFAOYSA-N 384.827 4.724 5 40 GJBB CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1[N+](=O)[O-] 19005473 ZBBSXVUOAQVSMG-UHFFFAOYSA-N 399.628 4.662 5 40 GJBB C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 40159969 MPYBHNRCEZRQMR-SECBINFHSA-N 387.745 4.706 5 40 GJBB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 248175675 AASHRNXTEZEPOJ-YAUBAPCASA-N 394.427 4.598 5 40 GJBB O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 408974515 ASVNEPBRQADRIA-GOSISDBHSA-N 392.462 4.894 5 40 GJBB Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 5299704 NLIJFVTVXKMIDY-UHFFFAOYSA-N 393.424 4.953 5 40 GJBB C[C@H]1CCCC[C@@H]1n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 40398756 QIDPIHPQCICTCR-SBUREZEXSA-N 399.494 4.511 5 40 GJBB COc1ccccc1OCc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 409178598 HAVUQIFDKVOQME-UHFFFAOYSA-N 393.395 4.539 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4306414 HJLKVPMAXDNQPE-PXNSSMCTSA-N 377.425 4.899 5 40 GJBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 7706080 KJOUOUNBEYOHOD-SNVBAGLBSA-N 375.837 4.691 5 40 GJBB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1C(=O)O 20145320 PNIKVGMZKUIBHX-ZRDIBKRKSA-N 392.367 4.513 5 40 GJBB Cc1cc(C)cc(-n2ccnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)c1 21478735 VIUWTRQBSJKKOF-UHFFFAOYSA-N 397.456 4.556 5 40 GJBB O=C(O[C@]12[C@@H]3CC[C@H](C3)[C@@H]1[C@@H]1C[C@@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 101050194 UTHHWEOJJWTUEP-ZAVYYQCJSA-N 375.424 4.821 5 40 GJBB O=c1c2cc(F)c(F)c(F)c2sc2nc3cc(Cl)c(Cl)cc3n12 4625343 RNENKFSAUAOSGK-UHFFFAOYSA-N 375.158 4.787 5 40 GJBB Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc(-c2ccccc2)n1 12016977 MZUADMNLWSBBJO-UHFFFAOYSA-N 395.440 4.519 5 40 GJBB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])cc1 103591759 TWXOICDLOQFOAY-GOSISDBHSA-N 384.432 4.602 5 40 GJBB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222919916 PVBVOIQTQRPFJY-GOSISDBHSA-N 386.448 4.697 5 40 GJBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 408622012 PEDRCVMDYBEVOA-UHFFFAOYSA-N 375.595 4.816 5 40 GJBB COc1ccccc1OCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 409181372 BUUHEDXAVHUQHC-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2C2CCCCC2)cc1 2219417 IIHKGWIUPSGEHM-UHFFFAOYSA-N 399.494 4.729 5 40 GJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc2ccccc2n1 3355189 JHBGSGCZWJVMSJ-UHFFFAOYSA-N 381.387 4.851 5 40 GJBB Cc1cc2oc(NCc3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)c2c(=O)o1 6668878 QFQPTTFAQQUJPZ-UHFFFAOYSA-N 376.368 4.882 5 40 GJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 72228882 SZHQONSRPVJTRA-UHFFFAOYSA-N 376.840 4.915 5 40 GJBB CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(F)cc1)=N2 6844148 MMPWKEKBGDPMPG-UHFFFAOYSA-N 388.402 4.730 5 40 GJBB aggregator Cc1ccccc1-n1ncc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c1C1CC1 32809325 FKKYGZRQMZLSKD-UHFFFAOYSA-N 376.416 4.527 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 1313647 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O=C(/C=C/c1ccccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 12601107 OSLPDMFMXGWYMI-MDZDMXLPSA-N 394.408 4.673 5 40 GJBB COc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 20897724 KKDFHTVDDJCYOW-UHFFFAOYSA-N 394.431 4.557 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 248342378 XZKMHNQLUWIQJD-NAFADOBPSA-N 392.455 4.986 5 40 GJBB Cc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1[N+](=O)[O-] 20140981 OTLNGPWAKIDCIP-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB O=C(COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 33782869 YKAOROJOFNYWJG-UHFFFAOYSA-N 395.342 4.566 5 40 GJBB Cc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 408577374 ZCMFVHXLYXZSCS-KRWDZBQOSA-N 388.880 4.648 5 40 GJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(F)c([N+](=O)[O-])c1 59462031 IORAMRGTZRCCSO-UHFFFAOYSA-N 397.328 4.605 5 40 GJBB Cc1ccc(N[C@@H](CCOC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1 5687558 JIDSTNVLAUGPMF-SFHVURJKSA-N 380.400 4.897 5 40 GJBB O=C(Nc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 8470669 NUDYLVVMQVYMHU-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB COc1ccc([C@@H](CC(=O)c2ccc(F)cc2)Cc2onc(C)c2[N+](=O)[O-])cc1 19872747 NWQQNBLRSMXHCS-INIZCTEOSA-N 398.390 4.638 5 40 GJBB CC(C)[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)cc1 54667139 KGOVYUZFWZENJM-GOSISDBHSA-N 376.840 4.602 5 40 GJBB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 4424284 VGDNVYIZLTYGJF-WIYYLYMNSA-N 375.384 4.739 5 40 GJBB O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)cc1 408610759 SBRKKFGLQLKRBL-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 225859793 AIHQWQUSSZMLLL-UHFFFAOYSA-N 383.448 4.619 5 40 GJBB Cc1cccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 4424937 BFHCXISIVRUOEF-OUKQBFOZSA-N 383.407 4.773 5 40 GJBB CCCOc1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11250497 LFRDTKWTWPYWCM-UHFFFAOYSA-N 386.451 4.582 5 40 GJBB CCc1cc(N2CCc3sccc3[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 64905173 BQZUFLCNHQULCV-CYBMUJFWSA-N 380.473 4.799 5 40 GJBB CCc1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc12 73642574 POFXRPVZFMJXMU-UHFFFAOYSA-N 394.168 4.570 5 40 GJBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3Br)no2)c1 89262473 YSKXNGUOCOHVKR-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB CCCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC 324813741 DNJPLTKGLPPASQ-UHFFFAOYSA-N 395.253 4.767 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 408996705 MQEBVWFJRVYQIH-ILWGZMRPSA-N 386.407 4.764 5 40 GJBB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 409095238 AEUZLQWPHGKEEY-UHFFFAOYSA-N 382.489 4.725 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1cccc(Br)c1)N2 6969928 OBLPCOOFYYPECV-XOKHGSTOSA-N 375.222 4.602 5 40 GJBB Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 9647469 FIXHQAWVGSRWRP-MRXNPFEDSA-N 376.338 4.549 5 40 GJBB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 214984925 UCZXGDLTYPWRQO-WOJGMQOQSA-N 382.441 4.955 5 40 GJBB CCc1cccc(CC)c1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 11248112 AMGHZXMJXGMTML-UHFFFAOYSA-N 384.479 4.918 5 40 GJBB Cc1ccc(C[N+](C)(C)C[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 226072073 PNHFZTJYKJKATN-DEOSSOPVSA-N 376.520 4.678 5 40 GJBB O=c1cc(CSc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccccc3)n12 3355913 BDUHXJDANOJVBE-UHFFFAOYSA-N 395.465 4.624 5 40 GJBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(Br)c1 4616492 JAYIIRHBUCMLPE-ATJXCDBQSA-N 393.240 4.680 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 5068161 YRRBRCQTMJUUCO-UHFFFAOYSA-N 395.422 4.797 5 40 GJBB O=C(COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1)c1cccs1 409181740 DADQYJMZBGAYIQ-UHFFFAOYSA-N 399.449 4.847 5 40 GJBB O=[N+]([O-])c1cc2c(Oc3ccc(Sc4ccncc4)cc3)ncnc2s1 561156781 RGYHPQNVCJESQG-UHFFFAOYSA-N 382.426 4.938 5 40 GJBB Cc1c(NC(=O)CSc2nc3cc(Cl)ccc3s2)cccc1[N+](=O)[O-] 3220941 SDYSMEDXFTZAQB-UHFFFAOYSA-N 393.877 4.897 5 40 GJBB C=C/C=C(\C=C/C)C1(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 26808181 DAAFYVMXCMGSHJ-XJXGAQLSSA-N 376.840 4.672 5 40 GJBB Cc1cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)ccc1[N+](=O)[O-] 820942 REVHPYZLVFSXJI-UHFFFAOYSA-N 387.395 4.888 5 40 GJBB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C 19907532 RVJZQWYATNDBQG-SORVUCRQSA-N 383.492 4.870 5 40 GJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6526551 CPMKBEOGFWWQSV-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1F 6595526 GQGJBFRBTZPXGL-BQYQJAHWSA-N 396.212 4.813 5 40 GJBB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 7780370 JVXHQGMQYYQUDB-MRXNPFEDSA-N 380.425 4.822 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 15646838 JOTWWZFJSJCOEQ-OAHLLOKOSA-N 387.848 4.835 5 40 GJBB CC(C)c1noc(CSc2nc3ccccc3c3nc4ccccc4n23)n1 32905130 KMPCLLNQUYIGTA-UHFFFAOYSA-N 375.457 4.834 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408996993 FURYZBAEQKGPHC-PKTBXOATSA-N 378.428 4.678 5 40 GJBB CCOc1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 711897 QMHLDHKDGZXTLB-UHFFFAOYSA-N 377.809 4.509 5 40 GJBB O=[N+]([O-])c1ccc(C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)cc1 3270656 ONQGBOKNVQBOOU-UHFFFAOYSA-N 390.385 4.631 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@H]1c1ccccc1 8115200 NGLLAXDWWCFGDJ-DGSRBQDKSA-N 390.464 4.844 5 40 GJBB O=C(Nc1ccc(Cl)cc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8470838 WRMZOUYOJGBSOA-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)c1c[nH]c2ccccc12 15670862 ZTKGSOOEJZYTKI-JOCHJYFZSA-N 385.423 4.938 5 40 GJBB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 40142570 SCJDIMJFXZEWMS-SUMWQHHRSA-N 388.489 4.807 5 40 GJBB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 85412045 DYZUKFWUXSLSEX-QGZVFWFLSA-N 386.477 4.866 5 40 GJBB COCc1nc2c3sc4nc(C(F)F)cc(-c5ccccc5)c4c3ncn2n1 13643986 ZTOQEAYKGLXYLE-UHFFFAOYSA-N 397.410 4.638 5 40 GJBB O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)Nc1ccc2ccccc2c1 107671778 KFVUMYINTQDOIJ-DHZHZOJOSA-N 396.406 4.857 5 40 GJBB CC[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1 2720981 CHVPXKHXEOFLNC-LBPRGKRZSA-N 394.456 4.666 5 40 GJBB Cc1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cc(=O)o2)cc1[N+](=O)[O-] 4859776 XRZFLEMEXMOPDT-UHFFFAOYSA-N 377.183 4.892 5 40 GJBB CC(=O)Oc1cn([C@H](C)c2ccccc2)c2nc(C)n3c4ccccc4nc3c12 13211649 BXTACLSBDDLDCG-CQSZACIVSA-N 384.439 4.680 5 40 GJBB CN(C)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] 72229129 TVVUMQPVAZQBGW-UHFFFAOYSA-N 375.856 4.864 5 40 GJBB CCC1(CC)C[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1 223565444 JANZBBKQDLWEHO-JXOMPUQVSA-N 380.444 4.807 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1O[C@@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C 2271435 AMKZQFXNBZADOW-YADHBBJMSA-N 378.428 4.667 5 40 GJBB COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-n2ccc3ccccc32)c1 169803929 NCZCZDUTKLZYKQ-QFIPXVFZSA-N 386.407 4.844 5 40 GJBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408561511 JBESXBYRUUUBJX-MRCUWXFGSA-N 381.457 4.503 5 40 GJBB Cc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408567215 GUIPHXPNDWXIAK-IBGZPJMESA-N 382.489 4.611 5 40 GJBB CCOc1ccccc1NC(=O)[C@@H](Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 3515108 DLVSGEPKUFVKIM-NRFANRHFSA-N 392.411 4.752 5 40 GJBB COc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 5193283 ODSDKXPTHBPPCY-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 72229942 YMDWGOVJHFESSD-LJQANCHMSA-N 382.803 4.582 5 40 GJBB Cc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1[N+](=O)[O-] 95481701 JCKQFSMGFCBEQV-UHFFFAOYSA-N 395.488 4.537 5 40 GJBB CNc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1[N+](=O)[O-] 11357134 JTZLANJHTALNKJ-UHFFFAOYSA-N 382.445 4.629 5 40 GJBB CCCCOCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCC 224731813 KEWJDAXOCZRRRC-UHFFFAOYSA-N 386.448 4.871 5 40 GJBB S=C(Nc1cc2cccnc2c2ncccc12)N1CC[C@@H](c2ccccc2)C1 1104211 HNZKLXNNOJHFMX-GOSISDBHSA-N 384.508 4.969 5 40 GJBB CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)C2=C1CCO2 4897757 CONVGNRTNRHJCN-NDEPHWFRSA-N 399.343 4.681 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N(CC(F)F)c1cccc(Cl)c1 84367818 WQZVGRXAOOMQBE-UHFFFAOYSA-N 375.158 4.814 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 855672 MDEUHEHZLQMQGD-APPDUMDISA-N 385.489 4.661 5 40 GJBB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 4487755 MUVSRMHSMDQLEJ-UHFFFAOYSA-N 395.396 4.725 5 40 GJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 6526559 WWGKPCQNFINRKU-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB CC1CCN(c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)n2C2CC2)CC1 8938270 XYDWRFMDJIZUNY-AWEZNQCLSA-N 387.509 4.611 5 40 GJBB C[C@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9376244 DTTRBDDCQMAIPW-LBPRGKRZSA-N 375.856 4.985 5 40 GJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)O)cc3)o2)c([N+](=O)[O-])c1 20151002 BJMZMVRUXLOTBW-DHZHZOJOSA-N 392.367 4.513 5 40 GJBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 885923 NZEBWHITHAWRDK-UHFFFAOYSA-N 388.383 4.667 5 40 GJBB Cc1cc(C)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1 1445393 NEHMXDKYDQZVJK-UHFFFAOYSA-N 387.486 4.861 5 40 GJBB COc1cccc(/C=C/C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 6174669 MJSMFMCJBHAVQX-FMIVXFBMSA-N 386.403 4.711 5 40 GJBB O=c1cc(CSc2nnc3[nH]c4ccccc4n23)c2c(ccc3ccccc32)o1 6506855 OVXGOTZBEIHFHU-UHFFFAOYSA-N 398.447 4.763 5 40 GJBB Cc1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 12624110 LEAXDPXLKGVZLL-UHFFFAOYSA-N 396.472 4.756 5 40 GJBB Cc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)cc1[N+](=O)[O-] 15544783 ANLIUTMMJUSBOM-UHFFFAOYSA-N 386.411 4.803 5 40 GJBB C[C@H]1CCCN(c2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2[N+](=O)[O-])C1 24538463 WIIDXBCSSUKCJO-GJZGRUSLSA-N 387.505 4.726 5 40 GJBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50490715 ZINNHRFYIWVYIX-CQSZACIVSA-N 395.440 4.901 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6883347 UGSLNFHLLVFLEN-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB O=C(c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)n1cc(CO)c2ccccc21 226767422 XPKLMLHJAXOQDG-UHFFFAOYSA-N 396.786 4.644 5 40 GJBB CN1c2ccccc2S[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 226864142 WVNIUIVWRZQMED-MRXNPFEDSA-N 391.246 4.659 5 40 GJBB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 408561356 IGVAUUUQGBLYEO-UHFFFAOYSA-N 393.346 4.989 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)Cc3cccc4ccccc34)nc12 1517007 GCFAOUUZNOHRPI-UHFFFAOYSA-N 393.424 4.548 5 40 GJBB Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 5296816 ROXPVMFRJQAZTI-UHFFFAOYSA-N 382.489 4.980 5 40 GJBB O=C(O[C@@H]1CCCCC1=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 7433118 PPLKZUYKWRISFF-GOSISDBHSA-N 389.791 4.709 5 40 GJBB Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cccc1[N+](=O)[O-] 8105642 CAUUYZPCKURUGC-AWEZNQCLSA-N 381.457 4.533 5 40 GJBB COC(=O)c1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cc1 21596076 ZQXDPBGWPVCPMM-UHFFFAOYSA-N 390.804 4.502 5 40 GJBB O=C1C(c2ccccc2)=c2c(c3ccccc3c3ccccc23)=C1c1ccccc1 1674476 MNSDGJFEKUKHGO-UHFFFAOYSA-N 382.462 4.974 5 40 GJBB in-vitro Cc1cc(C)c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 12517239 VWHLTJSODWJRFD-UHFFFAOYSA-N 387.867 4.720 5 40 GJBB Cc1c(C(=O)NCc2ccccc2COCc2ccccc2)cccc1[N+](=O)[O-] 40094753 QORMNWNFGRQXRO-UHFFFAOYSA-N 390.439 4.550 5 40 GJBB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 58416990 LVODCAWSZADQIW-MRXNPFEDSA-N 387.439 4.798 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 408988570 DUBOEDPEOVQUBO-HJNYFJLDSA-N 386.407 4.764 5 40 GJBB COc1ccc2ccccc2c1CNCCNc1ccc([N+](=O)[O-])cc1Cl 8494334 NJJCVEFWJKYHQB-UHFFFAOYSA-N 385.851 4.612 5 40 GJBB CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 408571278 ODWNMUQOJQEFAV-INIZCTEOSA-N 389.249 4.738 5 40 GJBB O=C(NCCSCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1Cl 408574636 JNPMGRCZVKSEKV-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB C[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)c1cccc(Cl)c1 3381900 LPTCLUOLTJSTMG-LBPRGKRZSA-N 399.786 4.936 5 40 GJBB Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2NC2CCCCC2)cc1 4014494 AUJKCWDNPOLIMA-UHFFFAOYSA-N 398.419 4.808 5 40 GJBB CCN(CC)CCCNc1c(OC)cc(C)c2sc3ccccc3c(=O)c12 5390120 XWVLITIVLASXOM-UHFFFAOYSA-N 384.545 4.876 5 40 GJBB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223140587 NTPXPMPPRDZJCM-LJQANCHMSA-N 388.851 4.923 5 40 GJBB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408702979 LKQWJKBWGYMDFJ-GFCCVEGCSA-N 376.840 4.952 5 40 GJBB CCOc1cc(Sc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OCC 8705228 WKNVPMBJMYNBEN-UHFFFAOYSA-N 376.434 4.502 5 40 GJBB CCc1cc2c(cc1O)oc(=O)c1cnc3c(sc4nc(C)cc(C)c43)c12 11865330 CSBXAAFVARVTBM-UHFFFAOYSA-N 376.437 4.989 5 40 GJBB biogenic CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] 24391439 KXAFFSSZRBPYRN-UHFFFAOYSA-N 387.867 4.511 5 40 GJBB COc1ccccc1-c1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n12 5207731 PFRMTOAQXWVGLY-UHFFFAOYSA-N 393.402 4.818 5 40 GJBB Cc1ccc(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)cc1C 28296472 XPIKKOBIBOZRFW-UHFFFAOYSA-N 380.451 4.993 5 40 GJBB CCOc1ccc(NC(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408976352 QTFHPDVQYAZTDH-UHFFFAOYSA-N 382.423 4.915 5 40 GJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1C(F)(F)F 7988958 TXWIEJKIZLQHBP-UHFFFAOYSA-N 393.346 4.989 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1coc(-c2ccccc2)n1 58158948 QMXFSNXASFVKHZ-UHFFFAOYSA-N 377.322 4.923 5 40 GJBB CCOc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 10542781 DPZJEQZZKMPZNY-GFCCVEGCSA-N 392.839 4.537 5 40 GJBB CC(C)c1ccc(-c2nonc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 13725987 AUFQQXPVAREOIE-UHFFFAOYSA-N 386.795 4.674 5 40 GJBB COc1ccc(-c2noc(-c3ccc(N4CCCC[C@@H]4C)c([N+](=O)[O-])c3)n2)cc1 15833786 BOXMHFUQUFJANX-AWEZNQCLSA-N 394.431 4.699 5 40 GJBB Cc1c(CSc2nnc(-c3ccccc3F)n2C2CC2)cccc1[N+](=O)[O-] 40122926 ZXYAYZHIYNKTRC-UHFFFAOYSA-N 384.436 4.928 5 40 GJBB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccc([N+](=O)[O-])cc1 936004 DFHKMHATDHOKFY-UHFFFAOYSA-N 387.347 4.587 5 40 GJBB Cc1nc2c(ccc3nc(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)sc32)s1 4174098 DIBQISIPKJZKMP-RUDMXATFSA-N 396.453 4.775 5 40 GJBB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 9192290 VAFQHAXPYFIWGV-UHFFFAOYSA-N 377.400 4.707 5 40 GJBB Cn1ccnc1[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 12534916 MYTKGMJLOJYPJF-MRXNPFEDSA-N 377.231 4.837 5 40 GJBB Cc1cc(OCC(=O)OCc2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Cl 32957512 IGIWCUKAHMSBEL-UHFFFAOYSA-N 377.824 4.802 5 40 GJBB COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294215 KYJBQDDCMDNVAT-UHFFFAOYSA-N 386.448 4.697 5 40 GJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccccc1Cl 3239943 XSGJQOMDLIQXOP-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 1066477 PPBLRHHQNNUXLN-UHFFFAOYSA-N 378.453 4.817 5 40 GJBB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 7742800 OBVHOCPMFCHBKU-UHFFFAOYSA-N 391.811 4.687 5 40 GJBB O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccc1)c1nc2c(F)cccc2s1 5299691 XQHSDTGMQCPNSA-UHFFFAOYSA-N 397.387 4.784 5 40 GJBB Cc1cc(NC(=O)CSc2cc(C)c3ccccc3n2)c([N+](=O)[O-])cc1C 5659898 MAFCLCXAUIQVDI-UHFFFAOYSA-N 381.457 4.799 5 40 GJBB O=C(Nc1cccc(Br)c1)c1ccc2nc3ccccc3nc2c1 96582913 LJTQTOSRKGAAJT-UHFFFAOYSA-N 378.229 4.798 5 40 GJBB CC(C)(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 675325 UKINYHOHZOUHAC-UHFFFAOYSA-N 377.238 4.907 5 40 GJBB CC[C@@H]1CCCCN1C(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 4199230 VFHMMKKEAMZKKJ-OAHLLOKOSA-N 399.403 4.700 5 40 GJBB O=[N+]([O-])c1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)cc1 4860710 VSPCYHKNOQWGQC-NRFANRHFSA-N 388.383 4.859 5 40 GJBB O=c1oc2c3c(ccc2c2ccccc12)OCN(CCc1ccc(Cl)cc1)C3 19882512 UQRVGWUOEYCASE-UHFFFAOYSA-N 391.854 4.994 5 40 GJBB biogenic Cc1cc(C)c2c(n1)sc1c2ncn2nc(COc3ccc(Cl)cc3)nc12 32117686 AVDOSXBNYWYJSQ-UHFFFAOYSA-N 395.875 4.736 5 40 GJBB CC(C)c1ccc(CCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 218054633 KTLQEPPHHYZYBJ-UHFFFAOYSA-N 386.517 4.700 5 40 GJBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 6257392 AKPUNXOQTVITBS-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB Cc1c(CSc2nnc(Cc3cccs3)n2C2CC2)cccc1[N+](=O)[O-] 40127727 YUEYQABVWPVQMX-UHFFFAOYSA-N 386.502 4.774 5 40 GJBB COc1cccc(C(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)c1 6660659 IWYLVYSDLMVPRV-UHFFFAOYSA-N 379.799 4.861 5 40 GJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3)o2)cc1C 33662907 VCYGEGVMEONFRC-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3c2C(=O)c2ccccc2-3)cc1 2543678 XAMORYVANQCBHT-UHFFFAOYSA-N 381.391 4.967 5 40 GJBB O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 409099647 RQGSUDMAMFEJEL-CPNJWEJPSA-N 381.457 4.670 5 40 GJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 5180245 DZICSJFSYSNPSZ-OAHLLOKOSA-N 397.482 4.871 5 40 GJBB Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1C 9009348 ACUKDJQPVFYOBE-UHFFFAOYSA-N 384.827 4.724 5 40 GJBB CC(C)[N+](C)(CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)C(C)C 1655406 HSXUJNKHRHSBNB-UHFFFAOYSA-N 381.584 4.714 5 40 GJBB CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@]312 4794341 WZPULXTWYBZUOB-SFTDATJTSA-N 393.399 4.567 5 40 GJBB aggregator COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 408557822 OYDCEJZZGXNWQA-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 15601740 YYVIVJGBFJEPTO-UHFFFAOYSA-N 388.729 4.918 5 40 GJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1ccc2ccccc2c1 32777241 SSTDISMRBVGHCK-UHFFFAOYSA-N 379.397 4.620 5 40 GJBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 95961608 QQTVOWWHPVBJSR-SFHVURJKSA-N 392.377 4.910 5 40 GJBB Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)c1 408554755 DDKITRZGUNFLHL-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 409027812 SDWNXMSNYOGDIR-DEDYPNTBSA-N 389.367 4.682 5 40 GJBB CC(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 6159835 NJVTXDRZBSCFRA-UHFFFAOYSA-N 398.495 4.574 5 40 GJBB O=C(Nc1ccccc1N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9420821 HWJUDBIFMCSODH-UHFFFAOYSA-N 379.460 4.646 5 40 GJBB Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 33714084 YDZSRUDLJMHUCT-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 2255215 NZNRYBAWWZJXQG-UHFFFAOYSA-N 391.519 4.839 5 40 GJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CNc2ccccc2-c2ccccc2)c1C 11618946 ROYCDJRBDZQJDK-UHFFFAOYSA-N 375.428 4.929 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 12866347 LPYMNUPBXGMNDX-LBPRGKRZSA-N 385.420 4.691 5 40 GJBB CSc1ccc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 13141611 SLSZUMGAZAYOPE-UHFFFAOYSA-N 393.420 4.767 5 40 GJBB CCOc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 13646411 XESLHDMFDQNTLU-GFCCVEGCSA-N 392.839 4.537 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 855673 MDEUHEHZLQMQGD-PIGZYNQJSA-N 385.489 4.661 5 40 GJBB Cc1ccc(-c2noc(-c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 15833776 IXEHNSXBUNVRSZ-HNNXBMFYSA-N 378.432 4.857 5 40 GJBB Cc1c(I)cccc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 226248333 JUPLEKBPQDOJMG-UHFFFAOYSA-N 394.168 4.624 5 40 GJBB O=[N+]([O-])c1cc(Cl)ccc1Oc1ccccc1I 20436769 DPLJSWVXBYPBJB-UHFFFAOYSA-N 375.549 4.645 5 40 GJBB Cc1ccc(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)cc1C 408532576 ZWKWFUYPCGADJD-UHFFFAOYSA-N 383.791 4.541 5 40 GJBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(C)cc1 408562181 NWWGSSUVCRZEAJ-DQRAZIAOSA-N 395.484 4.757 5 40 GJBB Cc1ccc2cc3c(N)c(C(=O)Nc4cccc([N+](=O)[O-])c4)sc3nc2c1 786980 TUDFUMRURLKCEX-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2308345 IUDKFVPKAPLYFI-UHFFFAOYSA-N 397.482 4.782 5 40 GJBB CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)cc1 4359177 ZMZCQJOGKRDBIG-UHFFFAOYSA-N 395.419 4.588 5 40 GJBB O=[N+]([O-])c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)nc1 14673067 KKEVOUZHEIWVRS-UHFFFAOYSA-N 389.390 4.594 5 40 GJBB CCN(c1ccccc1)c1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1 5247199 FTNJOGMPCIPHGQ-UHFFFAOYSA-N 379.420 4.603 5 40 GJBB CC1CCN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 22524097 DNEWBLQWUCLBDV-UHFFFAOYSA-N 387.867 4.732 5 40 GJBB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3cccc([N+](=O)[O-])c3)c2C1 5938400 LOJFGFIHUQYSPM-AWEZNQCLSA-N 376.412 4.625 5 40 GJBB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 9360252 OUVAKNXTEUULMC-LJQANCHMSA-N 394.456 4.822 5 40 GJBB Cc1ccc(N[C@H](OC(=O)N2CCCCC2)c2cccs2)c([N+](=O)[O-])c1 228962303 VSMISVFIDQLMMM-QGZVFWFLSA-N 375.450 4.698 5 40 GJBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)n2c1nc1ccccc12 2654050 XPAPTEDOTGUQTF-UHFFFAOYSA-N 385.301 4.646 5 40 GJBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)Cc1ccccc1 5950860 AQXOEVWTCCCLMM-UHFFFAOYSA-N 389.455 4.544 5 40 GJBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3ccccc3Cl)c2c1 1389414 YKAJVGXYUIOARP-UHFFFAOYSA-N 379.803 4.894 5 40 GJBB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 20493646 CYRPKQWRNPJWGG-SFHVURJKSA-N 380.400 4.553 5 40 GJBB OC(c1ccccc1)(c1ccccc1)[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2 1244369 LZKOHOFZGFNSOI-KJIXGKQBSA-N 384.543 4.979 5 40 GJBB COc1ccccc1Nc1nc(Nc2c(C)cccc2C)nc(C)c1[N+](=O)[O-] 5394574 PJZHJKQKUCYAKN-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB COc1ccc(CC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1 9348473 MOMVEGLCEYAWJJ-UHFFFAOYSA-N 393.826 4.789 5 40 GJBB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(F)c(F)cc1[N+](=O)[O-] 58166304 FYEZGUKWHBUHCB-UHFFFAOYSA-N 397.309 4.527 5 40 GJBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C23CC4CC(CC(C4)C2)C3)o1 408580261 BOQSKAVZMQWZNL-UHFFFAOYSA-N 399.472 4.799 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 408988571 DUBOEDPEOVQUBO-ILWGZMRPSA-N 386.407 4.764 5 40 GJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 4188793 QFIBSOSDWWBSFK-ZJZGAYNASA-N 396.446 4.583 5 40 GJBB Cc1csc2cc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)c[n+]12 4671210 ZMQBURLJHATGBV-UHFFFAOYSA-N 392.416 4.946 5 40 GJBB O=C(Nc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1)c1cccs1 4745712 NRFUKCRUFFSZQC-UHFFFAOYSA-N 392.396 4.626 5 40 GJBB CCOc1ccc(Nc2nc(Nc3ccccc3C)nc(C)c2[N+](=O)[O-])cc1 5393489 LGXPNXBFNPCQIO-UHFFFAOYSA-N 379.420 4.888 5 40 GJBB CCn1c2ccccc2c2cc(CNCCNc3ccc([N+](=O)[O-])cc3)ccc21 6871182 GPUHWMXZFYGJFW-UHFFFAOYSA-N 388.471 4.924 5 40 GJBB O=C(CSc1nc2ccccc2o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 19928704 DYVJKHACLMTTBS-UHFFFAOYSA-N 398.227 4.774 5 40 GJBB CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C(CC)CC 28284528 ORJFVUYSXDWPBK-UHFFFAOYSA-N 390.461 4.875 5 40 GJBB Cc1cc(C2=N/C(=C\c3ccc(-c4ccccc4)cc3)C(=O)O2)ccc1[N+](=O)[O-] 40160682 SRVYGIAESQWLPJ-ZHZULCJRSA-N 384.391 4.915 5 40 GJBB Cc1nn(-c2ccccc2)c(O)c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl 100848892 PTDGABKAFAMBPE-HNNXBMFYSA-N 392.242 4.602 5 40 GJBB O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 4659483 CXCFEDLTDZUJCD-VGOFMYFVSA-N 387.370 4.603 5 40 GJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(F)cc1Cl 6720200 LAUCBUPSDPVXAK-UHFFFAOYSA-N 380.806 4.586 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1ccccc1 8115202 NGLLAXDWWCFGDJ-CZQLGGELSA-N 390.464 4.844 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246052 UJODKHPQADMQIM-UHFFFAOYSA-N 386.408 4.803 5 40 GJBB Cc1cc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)ccc1[N+](=O)[O-] 40169717 LRYPEXRJNULEAS-UHFFFAOYSA-N 379.203 4.574 5 40 GJBB COc1ccc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2c1 4194494 HZICPXBYMUYMQJ-UHFFFAOYSA-N 385.426 4.680 5 40 GJBB CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C)cc1)=N2 100251032 VUWYZJPNOIIPGD-UHFFFAOYSA-N 384.439 4.900 5 40 GJBB aggregator CC[N+](CC)(CC)[C@H]1Nc2ccc(C)cc2[C@](c2ccccc2)(C(F)(F)F)N1 103464187 SIIICMKOALRNTO-LEWJYISDSA-N 392.489 4.976 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCc1csc(Nc2ccccc2)n1 3241269 CUOGCFMOLHPAPD-DHZHZOJOSA-N 381.413 4.552 5 40 GJBB CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1c(C(F)(F)F)nc2c1CCCC2 89888064 UCIKITWNWWMMHP-UHFFFAOYSA-N 383.370 4.524 5 40 GJBB O=C(COc1ccccc1Cl)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 9328345 HFIVXZPGGRLOFZ-UHFFFAOYSA-N 397.789 4.756 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1csc(-c2ccc(F)cc2)n1 12866341 LPYMNUPBXGMNDX-GFCCVEGCSA-N 385.420 4.691 5 40 GJBB O=C(Nc1cc(Nc2ccc([N+](=O)[O-])cc2F)ccc1F)c1ccsc1 52306282 CXIZMPSPJKEPAV-UHFFFAOYSA-N 375.356 4.930 5 40 GJBB CCCc1cc(C(=O)OCC)c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 668997 CDQXOLRKDVHDOL-UHFFFAOYSA-N 396.852 4.691 5 40 GJBB Cc1ccc(C)c(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 1517416 OZHYVKWKHYBWMY-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OC)c(OC)c1 2426783 JKEPPLHSIPWWKH-UHFFFAOYSA-N 399.450 4.812 5 40 GJBB Cc1ccc(NC(=O)[C@H](OC(=O)C2CCCCC2)c2ccccc2)c([N+](=O)[O-])c1 6376585 CEURUGICJASAIL-HXUWFJFHSA-N 396.443 4.707 5 40 GJBB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 8156873 UGEUUXWHJUEJPV-INIZCTEOSA-N 379.460 4.567 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCCC1 107945520 YUMUORYRVBLAHP-ZHACJKMWSA-N 385.851 4.890 5 40 GJBB Cc1nc2c(ccc3nc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)sc32)s1 4173999 LLPLEZTYNDQVCZ-VMPITWQZSA-N 396.453 4.775 5 40 GJBB Cc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1[N+](=O)[O-] 12763964 SEAOSMJBWRCTQG-UHFFFAOYSA-N 393.424 4.703 5 40 GJBB Cc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 5021704 XNCWCKXJFYDVEP-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB aggregator C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1 6062114 HFOLOZYMIJNQTE-LBPRGKRZSA-N 392.864 4.545 5 40 GJBB O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1csc(-c2cccs2)n1 79056837 VBEYVOISRIDFGJ-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB Cc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccccc2)cc1 2442477 PDAAQIKRCYDRRQ-UHFFFAOYSA-N 394.430 4.527 5 40 GJBB COc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2OC32CCCCC2)cc1 4887802 AHVCUSDAPFIPHK-HXUWFJFHSA-N 393.443 4.807 5 40 GJBB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 6396909 JQNQCBAATZHGKD-UHFFFAOYSA-N 375.812 4.629 5 40 GJBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6471793 GYUHCAHMWBBLEA-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB COc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 6200121 MGUCBPICJOFJMX-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB COc1ccccc1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 6643805 JPTKYZFXEDMXRA-UHFFFAOYSA-N 385.419 4.797 5 40 GJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1cccc2ccccc12 14131942 FIHZQOZZLQPJKS-XDHOZWIPSA-N 390.420 4.985 5 40 GJBB COc1ccc(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c(OC)c1 21596037 POSOBKXHPDAXPX-UHFFFAOYSA-N 392.820 4.732 5 40 GJBB CC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 59487279 CMUNMTBEFJAMTL-UHFFFAOYSA-N 376.368 4.842 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2cccc([N+](=O)[O-])c2)cc1 408558808 WALYLWPMAYUWKY-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 5215539 FSBWCBZHWIEJTD-MRXNPFEDSA-N 397.482 4.622 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1[N+](=O)[O-] 72229947 FDTOWNHTAPBPDU-HXUWFJFHSA-N 396.830 4.891 5 40 GJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 408613707 ZNZDNXIELMGKIH-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 2370571 PJUPQPHIVRXYRG-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB Cc1cccc(Nc2nnc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)s2)c1C 4549091 GFMGOEXBEIMBJC-UHFFFAOYSA-N 394.412 4.580 5 40 GJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3[S@@](=O)[C@@H](c3ccccc3)C2)cc1 5890665 MZVYOXUGAVSNHD-ZBLYBZFDSA-N 376.437 4.968 5 40 GJBB Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc([N+](=O)[O-])cc2C=O)n1 409384813 DOHNALBZUVTADB-UHFFFAOYSA-N 385.832 4.977 5 40 GJBB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 8475536 CIRCWYMYCIWXME-UHFFFAOYSA-N 383.835 4.645 5 40 GJBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1C 9359162 NLDZYYPDCPCYML-UHFFFAOYSA-N 384.827 4.724 5 40 GJBB O=C(NCCSCc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl 408563506 NSPKJLSUARKHHR-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCSCC1 408996568 QCYFUOMVYRYSMU-UHFFFAOYSA-N 380.498 4.578 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409000498 YYCNKZGNIUCPNS-BVYCBKJFSA-N 387.395 4.974 5 40 GJBB Cc1ccc2cc3c(N)c(C(=O)Nc4cc([N+](=O)[O-])ccc4C)sc3nc2c1 786974 KUPJLIUMWJRDLY-UHFFFAOYSA-N 392.440 4.809 5 40 GJBB CC(C)(C)C(=O)Nc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)oc2ccccc12 4267865 RMUDINCFDDDSOB-UHFFFAOYSA-N 381.388 4.578 5 40 GJBB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4592631 PEOLEXHIUFGPQW-UHFFFAOYSA-N 377.312 4.655 5 40 GJBB CCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 5597609 UIEQLRVVNUJJMS-UHFFFAOYSA-N 383.429 4.759 5 40 GJBB CC(C)(C)c1ccc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 5642427 HVVOGBXSNYGFRS-UHFFFAOYSA-N 385.445 4.520 5 40 GJBB CSc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 3417950 FUBMQMOTYYDLHI-SNVBAGLBSA-N 395.278 4.570 5 40 GJBB Cc1ccc(-c2ccc(C(=O)n3c(C)c(C=O)c4ccccc43)o2)c([N+](=O)[O-])c1 226767324 AIBDPDLISWRJBM-UHFFFAOYSA-N 388.379 4.927 5 40 GJBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408624481 XFIWJGPNJGTNLQ-UHFFFAOYSA-N 375.595 4.816 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409189071 IDHXUPRUSPGBQS-XOKHGSTOSA-N 375.222 4.602 5 40 GJBB O=C(OCCN=c1c2ccccc2ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 6003058 IKVOFYHGMOYWBB-UHFFFAOYSA-N 398.418 4.659 5 40 GJBB COc1cc2sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2cc1Cl 6441320 OCQOQHCZGZTFLV-AATRIKPKSA-N 389.820 4.518 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 8105388 QIYDUYPDBJMNPU-UHFFFAOYSA-N 392.411 4.613 5 40 GJBB CC(C)c1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 40870438 FREMOIHMDKSDEG-UHFFFAOYSA-N 397.456 4.859 5 40 GJBB CCN1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O 408996565 QBBMKIKEYUMNJX-UHFFFAOYSA-N 395.802 4.761 5 40 GJBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 409200812 JTMQNONQFJGRGV-WJDWOHSUSA-N 388.832 4.527 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccc(Cl)cc1 4247877 URXYTIOAKLVGMZ-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc12 5021004 YRSSFABTKLOFNT-UHFFFAOYSA-N 396.403 4.695 5 40 GJBB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc([N+](=O)[O-])c1 5395197 XRSUTFSAYAASOM-UHFFFAOYSA-N 391.408 4.829 5 40 GJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 33723011 JYKQLRCYJHPFOQ-LUAWRHEFSA-N 380.400 4.958 5 40 GJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 72229258 UPURQTNEWFBFDB-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)ccc1O 96114311 RAHSEMRIMVVRKM-UHFFFAOYSA-N 389.411 4.998 5 40 GJBB biogenic Cc1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)c1 96669503 LICSMMMYGQKMSI-KGENOOAVSA-N 384.391 4.631 5 40 GJBB O=c1c2ccccc2c(=O)c2c1c(N1CCCCC1)cc1oc3ccccc3[nH]c12 4117303 ZSIRIYWYAXQTOY-UHFFFAOYSA-N 396.446 4.931 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3cccc(Br)c3)nc12 4678199 JVEBMGORKIRTKF-UHFFFAOYSA-N 397.232 4.678 5 40 GJBB C[C@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 84656309 GHBZEVOTFGWURQ-GUYCJALGSA-N 396.472 4.812 5 40 GJBB COc1ccc([C@@H](O)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 95976035 HXWQJMXNZILVRH-QKKBWIMNSA-N 398.484 4.544 5 40 GJBB CCCCN(CCNc1ccc(C)c2sc3ccccc3c(=O)c12)C[C@H](C)O 4522851 LDKULCXSHMBMDR-KRWDZBQOSA-N 398.572 4.618 5 40 GJBB O=C(O[C@]12[C@@H]3CC[C@H](C3)[C@@H]1[C@H]1C[C@@H]2c2ccccc21)c1ccc([N+](=O)[O-])cc1 104293170 UTHHWEOJJWTUEP-DIBITALQSA-N 375.424 4.821 5 40 GJBB CC1CCN(C(=S)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 108153742 LOJANFPIEKRCMA-UHFFFAOYSA-N 375.501 4.693 5 40 GJBB O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)n(OCc3ccccc3)c2c1 1389345 YOIVLKBZTXOSAW-UHFFFAOYSA-N 379.803 4.894 5 40 GJBB aggregator Cc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6525462 VUKBDVKNEWJBCZ-OAQYLSRUSA-N 375.380 4.684 5 40 GJBB CCCOc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 9252436 FQFUFKPPLQCOOB-UHFFFAOYSA-N 383.429 4.759 5 40 GJBB Cc1ccc(Oc2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1C 853069 GBRHVOBMWQULCU-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB O=C(CSc1ccc([N+](=O)[O-])cn1)N1c2ccccc2Sc2ccccc21 9235381 XIKHXIFHJZPGNZ-UHFFFAOYSA-N 395.465 4.911 5 40 GJBB C[N+]1(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCCC1 27666075 OZOCHMLFPCNOTI-RZTYHALVSA-N 384.584 4.525 5 40 GJBB Cc1ccc2nc(S[C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 12546290 ZHVUAXPQSXLXJP-SNVBAGLBSA-N 390.852 4.552 5 40 GJBB COc1ccc(Cl)cc1-c1nnc(SCc2cccc([N+](=O)[O-])c2)o1 19929123 FVFQZXZZMAJUOP-UHFFFAOYSA-N 377.809 4.599 5 40 GJBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 408619994 GBYMJIUVEMAPDM-UHFFFAOYSA-N 383.231 4.844 5 40 GJBB Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)ccc1[N+](=O)[O-] 999009 ASHNMZIDKOKQKI-UHFFFAOYSA-N 398.850 4.671 5 40 GJBB CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCOC(=O)C(C)(C)C 5958538 VXOIRMFNHQLHQO-UHFFFAOYSA-N 394.471 4.566 5 40 GJBB Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cccc1[N+](=O)[O-] 8105650 CAUUYZPCKURUGC-CQSZACIVSA-N 381.457 4.533 5 40 GJBB Cn1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1ccco1 5863130 HQYISYTXCLHPIX-UHFFFAOYSA-N 389.436 4.627 5 40 GJBB CCCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 6396935 LASYBIYUTBZTMA-UHFFFAOYSA-N 375.812 4.629 5 40 GJBB Cc1c(NC(=O)c2ccccc2OCCOc2ccccc2)cccc1[N+](=O)[O-] 8158135 BENXZJMDPFVZKO-UHFFFAOYSA-N 392.411 4.613 5 40 GJBB Cc1cccc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)c1 9569670 RKEBEMXJLHDHKF-UHFFFAOYSA-N 392.440 4.840 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 12780377 LQUMKMOBTXVEFE-DVQDXYAYSA-N 379.441 4.581 5 40 GJBB O=C1S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C(=O)N1CC1CCCCC1 409132835 LWTQWKDYJLGABZ-VGOFMYFVSA-N 396.852 4.570 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(C(F)(F)F)cc1 4678370 CNBZEMIGAQMBOB-UHFFFAOYSA-N 376.338 4.626 5 40 GJBB O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccc1[N+](=O)[O-] 6946219 JCJZRNOMMBMMFI-UHFFFAOYSA-N 389.433 4.588 5 40 GJBB CCC(=O)Oc1cn(Cc2ccccc2)c2nc(CC)n3c4ccccc4nc3c12 13228195 OERFQIWWASGADK-UHFFFAOYSA-N 398.466 4.763 5 40 GJBB CCN1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O 408758367 ZAQJVWKWOCGIHI-UHFFFAOYSA-N 395.802 4.761 5 40 GJBB O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 1303081 GKOPXBVURZJNGV-UHFFFAOYSA-N 388.339 4.906 5 40 GJBB aggregator CCCCn1c(-c2ccccc2C)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2438063 ZQEAEPZQFZYYJV-UHFFFAOYSA-N 394.858 4.932 5 40 GJBB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 4689084 RECVPWSTOIKSJQ-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 5793108 HTUPTDFQCVHXCJ-UHFFFAOYSA-N 389.622 4.881 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2407384 YMXGNTQJCDBMAD-MRXNPFEDSA-N 397.482 4.871 5 40 GJBB Cc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 6522268 ZNZLYRWAXQPHCJ-OAQYLSRUSA-N 375.380 4.684 5 40 GJBB Cc1ccc(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)sc2C(=O)O)s1 12601105 VWXXUIXVYQPEJV-UHFFFAOYSA-N 388.426 4.644 5 40 GJBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1[N+](=O)[O-] 409180629 XKZBKMFPGGOQEM-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cs1 12999690 GZQAPGLULWPZAL-UHFFFAOYSA-N 387.848 4.610 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)n1 20897610 ZLVCKELNBVFUJG-HNNXBMFYSA-N 378.432 4.999 5 40 GJBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 59316688 XEKGXKCKZABDCY-UHFFFAOYSA-N 399.332 4.718 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc(Cl)ccc1[N+](=O)[O-] 4072199 WOZCAZWARYHSLF-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1[N+](=O)[O-] 4558260 PYNOPYZSVFLNGI-UHFFFAOYSA-N 396.424 4.752 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(Cl)c1Cl 4678482 MRQIVCNBPAXHDW-UHFFFAOYSA-N 377.231 4.914 5 40 GJBB CCOc1ccc(NC(=O)c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)cc1 5034556 APDJHBXGPAHROC-UHFFFAOYSA-N 382.372 4.514 5 40 GJBB CCCCOc1ccc2[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 85397318 LFFSUYBKNJGPGQ-UHFFFAOYSA-N 388.405 4.709 5 40 GJBB COc1cc(OC)c(-c2cc(C(=O)O)c3cc4ccccc4cc3n2)c(OC)c1 1766689 BWQLUMZHVLMMTN-UHFFFAOYSA-N 389.407 4.779 5 40 GJBB COc1cc2c(c([N+](=O)[O-])c1)O[C@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C 4794562 PEKCKAVUMDUENJ-FCHUYYIVSA-N 378.428 4.667 5 40 GJBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2317975 OWQSMGPXMLLNGE-UHFFFAOYSA-N 397.482 4.646 5 40 GJBB O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCCCC1 4014317 HNQHOSMKAXOOOK-UHFFFAOYSA-N 375.428 4.991 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Cl)c(Cl)c1 4719180 FOUXDWXBYKGCNF-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)N=C(S)N1c1ccccc1 26965495 UDAIHHFKAIONSO-FOWTUZBSSA-N 391.408 4.528 5 40 GJBB Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)cccc1[N+](=O)[O-] 42645419 NJTJWTCIBRYBIU-UHFFFAOYSA-N 375.178 4.664 5 40 GJBB O=C(c1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 408974516 ASVNEPBRQADRIA-SFHVURJKSA-N 392.462 4.894 5 40 GJBB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 8562761 XRGQAOGYUQIBKZ-CQSZACIVSA-N 380.375 4.807 5 40 GJBB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229517 QFIAUSZLFNQWGI-UHFFFAOYSA-N 389.622 4.881 5 40 GJBB Cc1cc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)ccc1[N+](=O)[O-] 5083656 DVGWYDYVOARLGR-UHFFFAOYSA-N 392.440 4.840 5 40 GJBB CC1CCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 5689644 HVHXHXVLDDHBSO-UHFFFAOYSA-N 396.472 4.693 5 40 GJBB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248337498 QBFMQYQOWSTRMA-RODAYXDMSA-N 378.428 4.898 5 40 GJBB Cc1ccc(C(=O)O)c(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 521398269 RHCZSZBFCJJIBC-UHFFFAOYSA-N 376.368 4.521 5 40 GJBB Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(=O)O)cc1 1296402 QGAIHTQSVMHHRB-UHFFFAOYSA-N 382.397 4.582 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 16695792 HXQSQVDHMJVGOF-KRWDZBQOSA-N 397.475 4.667 5 40 GJBB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 215251396 VCANYGZWWBUCLD-JOEZZVDMSA-N 380.425 4.778 5 40 GJBB COC(=O)c1sc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1Cl 2792373 OMEVVWBUHFVDHB-UHFFFAOYSA-N 390.804 4.502 5 40 GJBB COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN1CCC[C@H]1C3 4098809 SSEUDFYBEOIWGF-AWEZNQCLSA-N 393.483 4.548 5 40 GJBB biogenic,in-vitro COc1cc2c(c([N+](=O)[O-])c1)O[C@@]13C(=C2)CCC[C@@]1(C)c1ccccc1N3C 4794549 PEKCKAVUMDUENJ-VXKWHMMOSA-N 378.428 4.667 5 40 GJBB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6478832 YMZIYEDIKUTVGR-OAQYLSRUSA-N 375.380 4.684 5 40 GJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1 16206097 YTOBEZWMSYWWTB-UHFFFAOYSA-N 389.440 4.530 5 40 GJBB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1[N+](=O)[O-] 4481941 VPYPKVCGTYPTLX-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 6602614 LKNVVALXUMSHTN-HRAATJIYSA-N 375.468 4.845 5 40 GJBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1ccccc1[N+](=O)[O-] 6660245 KVJJRMTZKVGFRW-UHFFFAOYSA-N 394.770 4.760 5 40 GJBB CCOc1ccc(Cl)cc1CNCCNc1ccc([N+](=O)[O-])cc1Cl 8324517 ARHNNWCKSFODMM-UHFFFAOYSA-N 384.263 4.502 5 40 GJBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])s1 3196013 LLUNFEDMYJKVOL-UHFFFAOYSA-N 386.816 4.793 5 40 GJBB O=[N+]([O-])c1ccc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 6508075 GORQKYCSKGOPCY-UHFFFAOYSA-N 388.758 4.602 5 40 GJBB CC(=O)Nc1cccc(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)c1 16644009 DSWRYZHTSVRGEO-UHFFFAOYSA-N 390.399 4.549 5 40 GJBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc2c(c(C(F)(F)F)n1)CCCC2 408582482 OIAZSZHIOPZAPD-UHFFFAOYSA-N 397.378 4.636 5 40 GJBB CSc1nnc2c3sc4nc(CC(C)C)c5c(c4c3ncn12)CCCC5 1282644 NEOQUOXESWHHSD-UHFFFAOYSA-N 383.546 4.686 5 40 GJBB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1Cl 6589634 DCUQGOHTVVNZLH-UHFFFAOYSA-N 391.811 4.687 5 40 GJBB CCn1c(=O)c2oc3ccccc3c2n2c(C(=O)c3ccco3)c3ccccc3c12 11667638 QSYGCNIFDFYPNO-UHFFFAOYSA-N 396.402 4.998 5 40 GJBB CC(C)=CCc1c(O)cc(O)c2c(=O)c3cc4c(c(O)c3oc12)OC(C)(C)C=C4 14780145 KWJOUIWWNNDURW-UHFFFAOYSA-N 394.423 4.756 5 40 GJBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1 15931441 HYKIGECYNQGQAV-UHFFFAOYSA-N 392.411 4.816 5 40 GJBB O=[N+]([O-])c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Cl)cc32)cc1 4161664 NFPPAMGIYVYHKK-UHFFFAOYSA-N 394.793 4.821 5 40 GJBB CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H](c1cccs1)c1c[nH]c2ccccc12 28288774 SQPAETCAGFKPTK-FQEVSTJZSA-N 391.452 4.999 5 40 GJBB O=[N+]([O-])c1ccc(NN2[C@H]3CC[C@H]2Oc2ccc4ccccc4c23)c([N+](=O)[O-])c1 100915339 UFSNMHRUVAYRIG-QFBILLFUSA-N 392.371 4.539 5 40 GJBB CC[N+](CC)(CC)[C@@H]1Nc2ccc(C)cc2[C@](c2ccccc2)(C(F)(F)F)N1 19321655 SIIICMKOALRNTO-NHCUHLMSSA-N 392.489 4.976 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 855678 RUDFFERGFQHSOJ-SJCJKPOMSA-N 385.489 4.661 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1 3139271 OQYWRPRBTGRWID-HSZRJFAPSA-N 397.434 4.864 5 40 GJBB biogenic CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 5180257 LHZRSJFDWRSZJL-MRXNPFEDSA-N 397.482 4.508 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6615054 AZGCXQPKHFELDW-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB CCOc1ccc([C@@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC 718327 WQJGFQNQEQBDRM-QFIPXVFZSA-N 377.396 4.998 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C2CCCCC2)cc1 21125779 OGKDPNPRLUTUSA-UHFFFAOYSA-N 384.432 4.669 5 40 GJBB O=[N+]([O-])c1cc2c(c(CSCc3ccccc3Br)c1)OCOC2 32794297 KJWWSTHWPKZXBW-UHFFFAOYSA-N 396.262 4.657 5 40 GJBB CC1(c2ccc(Cl)cc2)CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 1556491187 PJDKXNPFWSTQAJ-UHFFFAOYSA-N 397.862 4.923 5 40 GJBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1 2411949 FRGFEPBKTWVHAE-UHFFFAOYSA-N 387.487 4.595 5 40 GJBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(=O)O)c3)o2)c([N+](=O)[O-])c1 20150994 LMWYQQPILBELHB-JXMROGBWSA-N 392.367 4.513 5 40 GJBB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])o1 830420 VBTPEIVUODJGRO-UHFFFAOYSA-N 383.747 4.902 5 40 GJBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 6270476 JCDCHCDUELEOBO-UHFFFAOYSA-N 386.454 4.547 5 40 GJBB O=[N+]([O-])c1cc(-c2nc(-c3ccco3)no2)ccc1NCCc1ccccc1 20898105 ZZBLXRNOYJJPDI-UHFFFAOYSA-N 376.372 4.559 5 40 GJBB O=C(c1ccc([N+](=O)[O-])o1)N(CCc1ccccc1)c1nc2ccccc2s1 69610523 BEWFVTHBQKHMOL-UHFFFAOYSA-N 393.424 4.687 5 40 GJBB COc1ccc([C@H](O)[C@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 95976037 HXWQJMXNZILVRH-LHSJRXKWSA-N 398.484 4.544 5 40 GJBB O=C(O[C@@]12[C@H]3C[C@H](c4ccccc43)[C@H]1[C@@H]1CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 104293166 UTHHWEOJJWTUEP-LNQFWEMDSA-N 375.424 4.821 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc([N+](=O)[O-])cc2)cc1 408604914 FUSIGKYPPLNSJJ-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)CN1CCC[C@@H]1C3 900098 YFEPHJVWLFGWKH-CQSZACIVSA-N 393.483 4.548 5 40 GJBB biogenic,in-vitro COc1cc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(F)F 3246003 IADCYNGDWKBILS-XVNBXDOJSA-N 398.749 4.510 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Cl)c1Cl 3441581 OFXAFBUYNLKFIB-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(F)c(F)c(F)c1F 5699620 DQAONXGFVOLOCO-UHFFFAOYSA-N 397.309 4.527 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 5701866 NUDWZNUHVVUKDJ-GORDUTHDSA-N 385.178 4.701 5 40 GJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 3248150 VQQJBSAENSTAHY-UHFFFAOYSA-N 395.798 4.836 5 40 GJBB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)c1cccc([N+](=O)[O-])c1 4355631 UCTHZJTXKOLXGC-UHFFFAOYSA-N 385.832 4.680 5 40 GJBB O=C(Oc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1)c1ccccc1 4576235 YTUBQHCMTANOGO-UHFFFAOYSA-N 387.351 4.531 5 40 GJBB S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCSCC1 6816923 CYJUTWOAENIDCK-UHFFFAOYSA-N 396.566 4.743 5 40 GJBB Cc1c(CSc2nnc(COc3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] 40127360 JMFUZDDEWYXFAJ-UHFFFAOYSA-N 391.836 4.811 5 40 GJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)Nc1cc(Cl)ccc1Cl 409389986 BLCFBDWUJJJTII-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB Cc1ccc2nc3sc(C(=O)Nc4ccc([N+](=O)[O-])cc4)c(N)c3cc2c1 4994002 FKEAQPAJFACEBG-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 6788605 FEQGQTGNOZQKBS-CYBMUJFWSA-N 397.456 4.579 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccc(F)cc3)c2)cc1 8418413 BNAUBBSWZVCBAI-UHFFFAOYSA-N 395.434 4.515 5 40 GJBB O=[N+]([O-])c1cccc(CSc2nnc(COc3ccc(Cl)cc3)o2)c1 19929092 QLBMCSBCLBLJBJ-UHFFFAOYSA-N 377.809 4.503 5 40 GJBB O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Cl)cc1Cl 20141078 MEHJWHCTOGRGAI-UHFFFAOYSA-N 389.578 4.506 5 40 GJBB COc1ccccc1CN1COc2c(cc3c(oc(=O)c4ccccc43)c2C)C1 54278253 MLIQOZRNJGDQIX-UHFFFAOYSA-N 387.435 4.615 5 40 GJBB biogenic O=C(O)c1ccccc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]12 247379437 IXMNKTUICILJED-FCEUIQTBSA-N 386.407 4.764 5 40 GJBB COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(F)c1 408606568 IRVFYFDQFBODCX-UHFFFAOYSA-N 382.391 4.934 5 40 GJBB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 953139 HSICFPMHNJASKQ-JTQLQIEISA-N 391.836 4.572 5 40 GJBB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1[N+](=O)[O-] 6011978 WXDAHPRYZWNCCV-UHFFFAOYSA-N 392.795 4.868 5 40 GJBB Cc1ccc(CNc2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 8586903 CGMFLUCCNXQYJY-UHFFFAOYSA-N 376.372 4.825 5 40 GJBB COc1ccc([C@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 20456001 KEIQTUCFNZIGOU-SFHVURJKSA-N 376.840 4.774 5 40 GJBB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409068475 RPEUYLMEGXWTEF-RIYZIHGNSA-N 378.793 4.564 5 40 GJBB CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2[N+](=O)[O-])cc1 1776011398 IXCGJOWTTDCRDR-UHFFFAOYSA-N 381.413 4.534 5 40 GJBB O=C(Nc1ccccc1Br)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6227132 XYHLOAFWWNUGQI-UHFFFAOYSA-N 387.189 4.870 5 40 GJBB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 6282291 SEVFOPXZZCJOBG-GOSISDBHSA-N 396.424 4.502 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCCOc2ccccc2)c1 8563492 QQUYJJUEDOEVSY-UHFFFAOYSA-N 392.411 4.613 5 40 GJBB O=C(c1ccccc1)c1ccc(NCc2cccc3cccnc23)c([N+](=O)[O-])c1 84519319 HAXCDJJDHPCFOX-UHFFFAOYSA-N 383.407 4.986 5 40 GJBB COc1ccc(CN2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 55396261 WDPRCRVALGYMCL-UHFFFAOYSA-N 387.435 4.615 5 40 GJBB biogenic O=C(NCCSCc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl 408563411 MKDHZCWTHZDZRF-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB CSc1nc2ccc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])cc2s1 4072642 KQODNTXLLMTFEZ-UHFFFAOYSA-N 379.850 4.832 5 40 GJBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc([N+](=O)[O-])cc1Cl 12538494 NOCXQDJKKXQBSR-UHFFFAOYSA-N 398.831 4.877 5 40 GJBB O=C1Nc2cc(Cl)c([N+](=O)[O-])cc2/C1=C/c1cccc(Br)c1 98006911 QRHOTRYYVNOBBW-WZUFQYTHSA-N 379.597 4.503 5 40 GJBB Cc1noc(/C=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1[N+](=O)[O-] 408544355 SOGQDMCRFCBMEO-YFHOEESVSA-N 381.344 4.549 5 40 GJBB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])cc1Cl 12909936 DSGIUPJMYUFGJZ-KRWDZBQOSA-N 390.823 4.968 5 40 GJBB Cc1cc(SCc2nc(-c3cccc([N+](=O)[O-])c3)no2)nc2ccccc12 31842072 VACIJOPHOMBACP-UHFFFAOYSA-N 378.413 4.794 5 40 GJBB O=C(Nc1ccccc1-c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4475981 CCKYFKFUNUPYJR-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB CC(C)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 40131854 RVAAOUYSOMOYEK-UHFFFAOYSA-N 384.417 4.614 5 40 GJBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 6565567 VAYFWUVCKANGAB-UHFFFAOYSA-N 397.243 4.509 5 40 GJBB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 8418622 KQTPOFIXLCIMER-UHFFFAOYSA-N 385.851 4.910 5 40 GJBB CCCn1cc(OC(=O)C(C)C)c2c1nc(C(C)C)n1c3ccccc3nc21 2202745 CTCQVIRHVOUBTC-UHFFFAOYSA-N 378.476 4.932 5 40 GJBB COc1cccc(-c2nc(Oc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1O 2433817 RUBRSFRARWFDTN-UHFFFAOYSA-N 389.367 4.712 5 40 GJBB CC(=O)N(c1ccccc1)c1nc(COc2ccc([N+](=O)[O-])c(C)c2)cs1 8718581 TXTHNRIXLKGYSY-UHFFFAOYSA-N 383.429 4.623 5 40 GJBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccccc1F 408545311 XQESEPXTKCJKSE-NTMALXAHSA-N 384.363 4.788 5 40 GJBB Cc1noc(/C=C/c2ccc(OCc3ccccc3[N+](=O)[O-])cc2)c1[N+](=O)[O-] 408609123 YWZPYEJCAJOKSB-DHZHZOJOSA-N 381.344 4.549 5 40 GJBB Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1C 4817228 CPMXZRIFIUEVFD-LBPRGKRZSA-N 381.436 4.728 5 40 GJBB O=C(NCc1ccccn1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 5700871 OLRBVFHEBAEFEC-UHFFFAOYSA-N 399.859 4.724 5 40 GJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1Cl 9062504 CGDBIAXDWQWPSO-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] 1056099 UZIVUMQBTVNMIE-MKMNVTDBSA-N 377.183 4.555 5 40 GJBB CC1CCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc23)CC1 5034231 YBDDBMUXHOZZOY-UHFFFAOYSA-N 387.827 4.764 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCC3)cc2Cl)cc1 33478662 QLAAHVDWCIPKMT-UHFFFAOYSA-N 376.865 4.599 5 40 GJBB Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 1465225 JAEXHIRFIGOHCL-UHFFFAOYSA-N 397.456 4.587 5 40 GJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2407793 UXAHPNGUUHISRA-UHFFFAOYSA-N 397.482 4.619 5 40 GJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 13946182 DKNGUCQDTFUTTE-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 23113904 CSBFZDQZRGLSLI-JTQLQIEISA-N 397.656 4.844 5 40 GJBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(OC(F)(F)F)cc1 651854 LDAUIVGPULCJBR-QOMWVZHYSA-N 398.340 4.816 5 40 GJBB O=C(COc1cc(F)ccc1[N+](=O)[O-])N1c2ccccc2Sc2ccccc21 3572584 FORSVXBOZGERRH-UHFFFAOYSA-N 396.399 4.942 5 40 GJBB O=[N+]([O-])c1ccc2nc(Sc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 59489584 KKNDGENGUFNQDD-UHFFFAOYSA-N 390.427 4.874 5 40 GJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)c1 2245094 ZJUCNIBPQIJBJO-UHFFFAOYSA-N 397.482 4.556 5 40 GJBB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc([N+](=O)[O-])cc1Cl 12909933 DSGIUPJMYUFGJZ-QGZVFWFLSA-N 390.823 4.968 5 40 GJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c(C)n1 225865868 YECZPWWWFPLOIG-UHFFFAOYSA-N 397.475 4.928 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 408997733 SPAYYYHLFUSKBX-LEOXJPRUSA-N 386.407 4.795 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1OC 409337685 XXRTUYSEUMHJQI-LGVJFWRDSA-N 380.444 4.909 5 40 GJBB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 830443 LYSVOROKLFSHDV-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB O=c1/c(=C/c2c3ccccc3cc3ccccc23)sc2nc3ccccc3n12 2366655 DSSSEEVYIKAGQO-HMAPJEAMSA-N 378.456 4.763 5 40 GJBB Cc1ccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226071723 QJIRWMXRIFGVHK-QFIPXVFZSA-N 382.568 4.843 5 40 GJBB Cc1ccc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1[N+](=O)[O-] 1640264 DQSHCTVGGFRYOI-UHFFFAOYSA-N 389.622 4.881 5 40 GJBB CC(C)c1ccc([C@@H](C)NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 8128349 SSSQLWCNSDOLAL-CYBMUJFWSA-N 375.856 4.661 5 40 GJBB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc([N+](=O)[O-])ccc1Cl 3483531 KGXRIHQRJRUBKA-UHFFFAOYSA-N 377.784 4.763 5 40 GJBB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc([N+](=O)[O-])o1 4910201 QAYWQGBDMDAMLW-UHFFFAOYSA-N 382.763 4.637 5 40 GJBB CCSc1nc2ccccc2c2nc(=O)c(-c3ccc(C(C)C)cc3)nn12 95469597 VTWJGAOJTIVAJD-UHFFFAOYSA-N 376.485 4.540 5 40 GJBB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248175671 AASHRNXTEZEPOJ-WGJQMSHFSA-N 394.427 4.598 5 40 GJBB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cn(-c2ccc(OC)cc2)c1C 1753208 DFSHKQAOJBYNME-UHFFFAOYSA-N 380.400 4.546 5 40 GJBB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccc([N+](=O)[O-])c1 4310878 OBEPJNWJXYAAQH-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 4899362 RUQHYBCOXHZPJP-XNTDXEJSSA-N 383.407 4.773 5 40 GJBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1 6321748 DYBFIYVCVCMYJT-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB Cc1cc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc12 7981838 LCWFHKYPWCLOIC-UHFFFAOYSA-N 387.848 4.836 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)s1 11917824 MRNCMPNIQHLSNF-UZLBHIALSA-N 377.425 4.899 5 40 GJBB O=[N+]([O-])c1ccc(-c2nnc(CSc3cccc(C(F)(F)F)c3)o2)cc1 6509535 GIDVMQGFGWDEHM-UHFFFAOYSA-N 381.335 4.956 5 40 GJBB O=[N+]([O-])c1cc(-c2nc3c(F)cccc3n2C2CC2)ccc1Br 84445685 XDPOQCMUSUZOCI-UHFFFAOYSA-N 376.185 4.848 5 40 GJBB CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1c[nH]c2ccccc12 4138602 IQKHXRQPTGKWQR-UHFFFAOYSA-N 379.445 4.647 5 40 GJBB CCc1nc2c(c(=O)n1[C@H](C)CC)c1nc3ccccc3nc1n2-c1ccccc1 5021728 UDMQGDVWNBGVNN-OAHLLOKOSA-N 397.482 4.817 5 40 GJBB Cc1nc(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)sc1-c1ccccc1 65488759 WYMTYHLTACWQTD-UHFFFAOYSA-N 392.440 4.620 5 40 GJBB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2742593 LGCRLVBQLCTATB-MRVPVSSYSA-N 389.622 4.961 5 40 GJBB COc1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)c(C)s2)cc1[N+](=O)[O-] 3449555 JQXLKHSPFAYLFO-UHFFFAOYSA-N 397.456 4.904 5 40 GJBB Cc1ccc(C(=O)c2ccc(OCCOc3ccc([N+](=O)[O-])cc3)cc2)cc1 4069958 PZQQBOOEVZRRDR-UHFFFAOYSA-N 377.396 4.592 5 40 GJBB CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] 6657143 AELJISUEEPMHIH-UHFFFAOYSA-N 391.836 4.817 5 40 GJBB CCSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1=C(O)CC(C)(C)CC1=N2 102677990 JVKSWOSNLJXGKR-INIZCTEOSA-N 399.476 4.606 5 40 GJBB CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccccc1 408561704 KJSCLDYQJMUZEF-DQRAZIAOSA-N 395.484 4.838 5 40 GJBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)cc1 409182155 IMIFBUVEUGIORT-UHFFFAOYSA-N 395.342 4.566 5 40 GJBB COc1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 8994277 JWUAZUKTJQTTSS-UHFFFAOYSA-N 395.396 4.725 5 40 GJBB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2cc1C 10120374 QSSPRANSVXIUIY-UHFFFAOYSA-N 391.383 4.543 5 40 GJBB COc1ccc([N+](=O)[O-])cc1OCC(=O)c1ccc(Oc2ccccc2)cc1 31612129 XDXDRSFMGRDSPM-UHFFFAOYSA-N 379.368 4.657 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc4ccccc4c3)nc12 1518247 WLZBPKIRXUQKHB-UHFFFAOYSA-N 379.397 4.619 5 40 GJBB CC(C)[N+](C)(CCOC(COc1ccccc1)COc1ccccc1)C(C)C 1707034 MNKVUISXAVLINH-UHFFFAOYSA-N 386.556 4.793 5 40 GJBB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 3292380 AQDDBZIAEXWRPW-LBPRGKRZSA-N 390.823 4.557 5 40 GJBB COc1ccc(C(=O)N(CC(C)C)c2nc3ccccc3s2)cc1[N+](=O)[O-] 6342983 WDIHPZGYOBPTNQ-UHFFFAOYSA-N 385.445 4.516 5 40 GJBB COc1ccccc1Oc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 11516761 MVCWKHNCICNFLU-UHFFFAOYSA-N 378.384 4.577 5 40 GJBB O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1F 72229243 NGPBUXJMLYNJIC-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)o1 409181568 DGDPHHCMATXVDQ-UHFFFAOYSA-N 385.759 4.678 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC)c(C)nc21 2420971 MMQGECXNIMBWAY-UHFFFAOYSA-N 377.492 4.593 5 40 GJBB Cc1cc(C)c(NC(=O)COc2ccc3[nH]c4ccccc4c(=O)c3c2)c(C)c1 12521524 FMAJODOPPDABCU-UHFFFAOYSA-N 386.451 4.624 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2Br)cc1 828408 PNRWGNIGVKLHTD-UHFFFAOYSA-N 387.027 4.699 5 40 GJBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C)cc1 224125497 GTOWUEHLEDNIOJ-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB CC(=O)Oc1ccc2c(-c3cc4c(ccc5ccccc54)oc3=O)cc(=O)oc2c1 2108756 MCDIKUPNNVZQLP-UHFFFAOYSA-N 398.370 4.645 5 40 GJBB biogenic C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 6248319 XZCDERNOPHWZTO-ZDUSSCGKSA-N 396.472 4.693 5 40 GJBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc2ccccc12)c1ccccn1 27662306 PHPDAICOSVKTRC-UHFFFAOYSA-N 383.407 4.990 5 40 GJBB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3193764 RNKSAFPWCCFWKB-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1oc2ccccc2c1NC(=O)C1CCCC1 4267878 KMGNSTKFAMKXDP-UHFFFAOYSA-N 393.399 4.722 5 40 GJBB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 408623892 UWKGTQARYNPKMP-UHFFFAOYSA-N 393.399 4.702 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1[N+](=O)[O-] 408994816 JNFZNQDVWFFRAU-UBNQIVLKSA-N 395.415 4.808 5 40 GJBB O=[N+]([O-])C[C@H](c1ccc2c(c1)OCO2)c1c(-c2ccccc2)[nH]c2ccccc12 1463191 YMCKYFOWGLHVHB-GOSISDBHSA-N 386.407 4.972 5 40 GJBB Cc1sc2[nH]c(/C(Cl)=C/c3cc([N+](=O)[O-])ccc3Cl)nc(=O)c2c1C 5264892 KMKZCUWLCXDRMW-SDQBBNPISA-N 396.255 4.900 5 40 GJBB Cc1cccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1Cl 24831431 TZZMANHXCLGDIG-UHFFFAOYSA-N 387.848 4.856 5 40 GJBB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4545487 VDLOEIHCOXIVQR-BTDLBPIBSA-N 387.461 4.609 5 40 GJBB Cc1cc2nnc(Sc3ccc([N+](=O)[O-])c4cnccc34)n2c2ccccc12 69294968 OBYHWAPRMLUNIM-UHFFFAOYSA-N 387.424 4.799 5 40 GJBB Cc1ccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c(Br)c1 138224180 LHEOKTQCYNYGHX-UHFFFAOYSA-N 375.178 4.664 5 40 GJBB Cc1c(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cccc1[N+](=O)[O-] 3356521 VIDWSXDHTCCSEG-UHFFFAOYSA-N 378.432 4.639 5 40 GJBB CCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C 225865996 WUULCYUMFFBPNG-UHFFFAOYSA-N 383.448 4.538 5 40 GJBB C[N+]1(C)CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 4937122 WUCYGYDCOMQTKB-XMMPIXPASA-N 398.530 4.950 5 40 GJBB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 8020321 LAZLFOMTNWUOCF-UHFFFAOYSA-N 384.775 4.963 5 40 GJBB Cc1cc(NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1N1CCCC1 11325792 OMCHWLIYGYEITA-OAHLLOKOSA-N 385.489 4.623 5 40 GJBB O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F 106696125 ZMBUEOFHTSJPPQ-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB CCOc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC 10542782 DPZJEQZZKMPZNY-LBPRGKRZSA-N 392.839 4.537 5 40 GJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccs1 408840430 YRYMZQMURBUDCX-YRNVUSSQSA-N 390.829 4.869 5 40 GJBB CC(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408976727 SPCXWVQHIAOTPV-UHFFFAOYSA-N 398.495 4.574 5 40 GJBB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c1 5793827 OOVLAZIVWPJCOE-UHFFFAOYSA-N 380.400 4.944 5 40 GJBB O=C(c1csc([N+](=O)[O-])c1)N(CCc1ccccc1)CCc1ccccc1 58439391 DEGJAYUVLZUWPP-UHFFFAOYSA-N 380.469 4.584 5 40 GJBB O=C(c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccc(Cl)cc1 96011208 CLFQQAHVCGJPGA-SFHVURJKSA-N 396.834 4.616 5 40 GJBB Cc1nnc(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1-c1ccc(F)cc1 409105702 KEFGOKPHVPCFRL-UHFFFAOYSA-N 398.341 4.793 5 40 GJBB CC1CCN(c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2[N+](=O)[O-])CC1 5977730 KEYLSGWIUUDKGT-UHFFFAOYSA-N 391.830 4.876 5 40 GJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc(Cl)cc1 6028037 OEQYMKZOPGGTRN-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB O=[N+]([O-])c1ccc(/C=C/Sc2nnc(NCCc3cccs3)s2)o1 12893840 WGAFIVRQMRZUMC-RMKNXTFCSA-N 380.476 4.518 5 40 GJBB Cc1c(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] 72229951 QLQYTIAMKASEDU-HXUWFJFHSA-N 396.830 4.891 5 40 GJBB O=C(O)c1ccc(Oc2cc(Oc3ccc(C(=O)O)cc3)cc([N+](=O)[O-])c2)cc1 828319 IWBPPRDGNOTKQZ-UHFFFAOYSA-N 395.323 4.576 5 40 GJBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6243110 LKDNVYKZZHZNAT-LLVKDONJSA-N 391.880 4.889 5 40 GJBB COc1ccc2cc(CNC(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])ccc2c1 95941710 JOIHBUVQSSMJFT-UHFFFAOYSA-N 384.819 4.648 5 40 GJBB Cc1cc(N2CC[C@H](C)C[C@H]2c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 107506911 YXMCXUFXDRFOAV-KSSFIOAISA-N 378.432 4.931 5 40 GJBB C[C@@H]1C[C@@H](C)CN(c2c(Br)cc([N+](=O)[O-])cc2Br)C1 226316560 UZJPAJAZYPYEOS-RKDXNWHRSA-N 392.091 4.602 5 40 GJBB C[C@]1(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)CC1(Cl)Cl 3510335 RVUNMYRAWUJKBK-GOSISDBHSA-N 377.223 4.573 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccccc1-c1nc2ccccc2[nH]1 4032362 WVJGAWBQONAZAB-PKNBQFBNSA-N 390.424 4.852 5 40 GJBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(F)c2)c1 8835947 WQCDEISVPMMCML-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc23)c(OC)c1 12636499 ZWUXYDJZVSWVHE-SFHVURJKSA-N 379.416 4.502 5 40 GJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC(C)C 2430697 NQKXHTAVGPWPKB-UHFFFAOYSA-N 391.519 4.921 5 40 GJBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 8560877 ZMTDMSWALSOIJD-UHFFFAOYSA-N 394.383 4.672 5 40 GJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2ccc(CO)o2)c1 20145098 NVRIJMXGOLVUFB-WEVVVXLNSA-N 398.802 4.652 5 40 GJBB Cc1nc(CSc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 23680305 DPKHSQINYZGUSW-UHFFFAOYSA-N 385.470 4.904 5 40 GJBB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)o1 1407917 VGDNVYIZLTYGJF-GHTZIAJQSA-N 375.384 4.739 5 40 GJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccccc1OC(F)F 3573454 HGEXDMNSRBWSHH-UHFFFAOYSA-N 396.345 4.905 5 40 GJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20141143 RYCNBXUPXVPKCL-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 2308308 ZHDCUGAMJGUJSA-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB CCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 5185948 WROVIVQMACWEEV-UHFFFAOYSA-N 389.458 4.821 5 40 GJBB O=[N+]([O-])c1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cc1 6399557 ZNCMYLLCKCNXAL-UHFFFAOYSA-N 390.424 4.943 5 40 GJBB CC(C)(C)n1ncc2c1N=C(O)CS[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 49544494 NTSWVDMQAOJIIL-CQSZACIVSA-N 380.857 4.624 5 40 GJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H]3Cc4ccccc4[C@@H]23)cc1 4147004 OGRVBKLJVZWOAQ-FCHUYYIVSA-N 385.423 4.536 5 40 GJBB C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5869406 MNCUIAVOLJVMEB-SECBINFHSA-N 388.729 4.673 5 40 GJBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15835471 CPPHHQDBWSERPQ-QFIPXVFZSA-N 385.423 4.938 5 40 GJBB CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2ccccc2)c([N+](=O)[O-])c1 5712894 FOJJXIRIMKCBPV-UHFFFAOYSA-N 376.390 4.611 5 40 GJBB O=C(C[C@@H](C(=O)c1ccccc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 12547147 BPPXQHGWOAOYRD-SFHVURJKSA-N 399.406 4.711 5 40 GJBB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] 40156835 FOGXGCBSPJITIY-UHFFFAOYSA-N 381.819 4.799 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] 26603727 LUEVDLSNGGCPGE-QGZVFWFLSA-N 394.258 4.505 5 40 GJBB CCC1(CC)C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2O1 223565500 JANZBBKQDLWEHO-HYSAVQALSA-N 380.444 4.807 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1ccccc1[N+](=O)[O-] 32825477 MYGJADKHBYRLRN-QGZVFWFLSA-N 394.258 4.505 5 40 GJBB Cc1c(NC(=O)N[C@@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 40099049 WIUJWAZZZCIWEC-NSHDSACASA-N 378.226 4.548 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cn1)c1sc2cccc(OC(F)F)c2c1Cl 6828780 FFXGEWSYCZFGPW-UHFFFAOYSA-N 399.762 4.712 5 40 GJBB Cc1cccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)c1 408607262 KIGMPNBNFVWPIW-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB O=[N+]([O-])c1ccc(C2=Nc3ccccc3[S@](=O)[C@H](c3ccccc3)C2)cc1 5890653 MZVYOXUGAVSNHD-KDYSTLNUSA-N 376.437 4.968 5 40 GJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(O)c2ccccc12 12545064 VBNBCIFTLYTXID-UHFFFAOYSA-N 394.430 4.652 5 40 GJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1c1cccs1 22611490 GKJLIMYRMDMPTH-HXUWFJFHSA-N 388.492 4.580 5 40 GJBB O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CC2c3ccccc3C1c1ccccc12 23054959 MDQNZPPILBWWNA-XSTIVXOKSA-N 398.462 4.551 5 40 GJBB COc1ccc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc1O 96116350 HLSYFWNFDSVEGN-UHFFFAOYSA-N 389.411 4.998 5 40 GJBB biogenic Cc1ccc2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc2c1 4994001 PNRBFGKBMUIHLR-UHFFFAOYSA-N 378.413 4.501 5 40 GJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 17081462 JICAWPPGFBTLHM-UHFFFAOYSA-N 398.444 4.504 5 40 GJBB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 20493645 CYRPKQWRNPJWGG-GOSISDBHSA-N 380.400 4.553 5 40 GJBB Cc1nn(Cc2nc3cc(Cl)ccc3n2Cc2ccccc2)c(C)c1[N+](=O)[O-] 25593922 SLZRKIAOHMVJNC-UHFFFAOYSA-N 395.850 4.508 5 40 GJBB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccc([N+](=O)[O-])c1 408629317 WSINGYHNFRGILE-UHFFFAOYSA-N 386.363 4.621 5 40 GJBB Cc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(C4CCCC4)cnc32)c1 2246351 MXWQGLBTDWQNCW-UHFFFAOYSA-N 395.466 4.707 5 40 GJBB CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2248598 AYGXUSSCOKTJPB-UHFFFAOYSA-N 397.482 4.701 5 40 GJBB Cc1cccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c1O 6302657 CDDLFPOWPOSOKL-UHFFFAOYSA-N 379.368 4.758 5 40 GJBB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 59284271 GWRWPHNHHXFSEH-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB CCCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 408599971 PWSDCSVLUXPJJI-PDGQHHTCSA-N 398.440 4.620 5 40 GJBB COc1ccc(C(=O)Nc2cc(Oc3cccc(C)c3)cc([N+](=O)[O-])c2)cc1 1516065 SCSBKNUEZQHXGU-UHFFFAOYSA-N 378.384 4.956 5 40 GJBB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 4553363 WGZIHTYLJHSAKB-UHFFFAOYSA-N 393.399 4.702 5 40 GJBB CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 4976834 ANEVKCZSWJWKIK-UHFFFAOYSA-N 392.411 4.825 5 40 GJBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)Cc3ccccc3)c12 5516108 WPIYTIOVJSPIEQ-UHFFFAOYSA-N 395.462 4.832 5 40 GJBB O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 6885021 CQICQHOFOAFCGC-OAQYLSRUSA-N 388.383 4.859 5 40 GJBB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 1315947 SVTJIRHYFZIFGV-SFHVURJKSA-N 396.443 4.529 5 40 GJBB O=C(OCc1ccccc1CN1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl 1716151 ONQGSXHJCDOGHD-UHFFFAOYSA-N 388.851 4.591 5 40 GJBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1ccc2ccccc2c1 1840764 XJUFFKKVFOAZSJ-LICLKQGHSA-N 378.771 4.746 5 40 GJBB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] 4072649 QVEHXFDYLFQRHP-UHFFFAOYSA-N 377.784 4.763 5 40 GJBB Cc1nc2ccc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2s1 5578245 HAVMPNXZCYFYNV-UHFFFAOYSA-N 392.234 4.528 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 50571166 ACMWUQQCJBBTNT-AWEZNQCLSA-N 375.476 4.771 5 40 GJBB CSc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2C(F)(F)F)c1 58618411 KNROULSPWSTQSO-UHFFFAOYSA-N 384.379 4.608 5 40 GJBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc2ccccc12 59417109 MQNRNKRSYNACSS-UHFFFAOYSA-N 390.317 4.784 5 40 GJBB CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2ccc(Cl)cc2)o1 408580110 AHGZEBBQVKICPS-UHFFFAOYSA-N 375.793 4.652 5 40 GJBB O=C1CC(Nc2ccc([N+](=O)[O-])cc2)=NN1c1c(Cl)cc(Cl)cc1Cl 4272051 NTDRZJLMIOFNLK-UHFFFAOYSA-N 399.621 4.717 5 40 GJBB CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 6022835 HVDMMYYNDDHLNW-UHFFFAOYSA-N 395.503 4.582 5 40 GJBB Cc1ccccc1OCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 6208019 GXDVBFKTISZOLE-UHFFFAOYSA-N 393.395 4.818 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 9087670 ONMAJLFNXRHXHF-UHFFFAOYSA-N 387.355 4.857 5 40 GJBB O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N=C(S)N1c1ccccc1 26688009 XHKXLASSDKZLTB-SFQUDFHCSA-N 391.408 4.528 5 40 GJBB O=C(CSCc1ccc(Cl)cc1F)Nc1cc([N+](=O)[O-])ccc1Cl 223177193 LTQHDRVFOSPRDC-UHFFFAOYSA-N 389.235 4.913 5 40 GJBB O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)Nc1ccc2ccccc2c1 12521521 BUZHBQXHHNADFX-UHFFFAOYSA-N 394.430 4.852 5 40 GJBB O=[N+]([O-])c1ccc(OCc2ccc(F)cc2)c(/C=C2\SC(=S)N=C2O)c1 13940200 IIPHGJRWGDMKKV-NVNXTCNLSA-N 390.417 4.642 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 43192557 SWRCBVGEQHZQQY-LLVKDONJSA-N 383.326 4.718 5 40 GJBB CCOc1cc(CO)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409117950 RTFQEFBTCUDYHJ-UHFFFAOYSA-N 391.729 4.950 5 40 GJBB Cc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2s1 25425809 QSSQGWIUSYNXHZ-VIFPVBQESA-N 390.852 4.605 5 40 GJBB C[C@H]1CCCC[C@H]1n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 40398758 QIDPIHPQCICTCR-GAJHUEQPSA-N 399.494 4.511 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408625337 XLUMEWUNIKKFTR-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 989923 YROMVRSKSQJAMU-SJCJKPOMSA-N 385.489 4.661 5 40 GJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccccc1 6598171 ZLGUHJMSIWSKND-UHFFFAOYSA-N 399.406 4.805 5 40 GJBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1-c1ccc(CO)o1 20141072 QOXDXQODFRWZMR-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB C[S@@](=O)Cc1cccc(C(=O)OCc2nc3ccccc3c3ccccc23)c1 54748805 DKYRARDLHNIQHW-NDEPHWFRSA-N 389.476 4.624 5 40 GJBB Cc1cc(I)ccc1NSc1ccccc1[N+](=O)[O-] 5258061 MBFRMZYKOREOKF-UHFFFAOYSA-N 386.214 4.627 5 40 GJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2449124 PUXNXDKUZKOJMD-UHFFFAOYSA-N 397.482 4.619 5 40 GJBB O=C(OCc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 6080285 CBQRBOUPLVEMIC-UHFFFAOYSA-N 397.456 4.552 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cs1 12982329 QLOVNNGODLYZKM-UHFFFAOYSA-N 387.848 4.610 5 40 GJBB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 4849265 ACTJYBNJVGRROH-UHFFFAOYSA-N 381.457 4.745 5 40 GJBB O=C(Nc1ccc(Br)cc1Cl)c1cc([N+](=O)[O-])ccc1Cl 7748290 AFACVJTWZSEODC-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB CCC(=O)Oc1cn(CCC(C)C)c2nc(CC)n3c4ccccc4nc3c12 13238171 VOGGCAOOTODLAD-UHFFFAOYSA-N 378.476 4.761 5 40 GJBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C2CC2)cc1 24831078 SIKUUXYEBWYBKG-CYBMUJFWSA-N 388.851 4.698 5 40 GJBB CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCC 44901541 LVBCAFFORQONNA-UHFFFAOYSA-N 392.839 4.617 5 40 GJBB Cc1c(-c2ccc(C(=O)n3c(C)c(CO)c4ccccc43)o2)cccc1[N+](=O)[O-] 226768462 QFNZSCBWZGFIOX-UHFFFAOYSA-N 390.395 4.607 5 40 GJBB Cc1cc(C)cc(NC(=O)[C@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 6912400 YBGGJHXKUWOFNR-HXUWFJFHSA-N 391.427 4.674 5 40 GJBB CC[N+]1(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCC1 17316933 IBHKBWLSFWPIKQ-ZFDSFTMVSA-N 384.584 4.525 5 40 GJBB Cc1ccc2cccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)c2n1 10372872 FCZLLZZYUJKUKQ-UHFFFAOYSA-N 375.428 4.902 5 40 GJBB CC[C@@H](C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12522388 NPISCXHYPHYILA-LJQANCHMSA-N 398.506 4.982 5 40 GJBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 21466085 WZCOAPWHPSZDLP-UHFFFAOYSA-N 385.759 4.548 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1Br 409260991 ZMQUDLFNOQSAMA-UHFFFAOYSA-N 395.278 4.538 5 40 GJBB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cc([N+](=O)[O-])ccc1Cl 851898 LPJVAHYUKWVNPJ-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB CCCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21 1844578 LGYSWBYKHKFFIU-UHFFFAOYSA-N 389.415 4.545 5 40 GJBB O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])o2)N1c1ccc(F)cc1Cl 54683188 QXSWRROCAGSUQW-KRWDZBQOSA-N 387.754 4.751 5 40 GJBB Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 72228880 ZHJYHTBQMIDBJU-NSHDSACASA-N 383.231 4.924 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N2 408997735 SPAYYYHLFUSKBX-OFAXGOBFSA-N 386.407 4.795 5 40 GJBB Cc1ccc2oc3nc(C)c(C(=O)NCc4ccc(Cl)cc4)cc3c(=O)c2c1 1390941 FJLPAQJLSITQDZ-UHFFFAOYSA-N 392.842 4.541 5 40 GJBB Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1F 2232914 IVWFLRFDNWOFGR-UHFFFAOYSA-N 399.385 4.991 5 40 GJBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccccc1 2431561 VDSZZUBWDHUVDZ-UHFFFAOYSA-N 397.482 4.638 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccc([N+](=O)[O-])cc1 4070383 ZJYOEAAHJNVDRF-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB O=c1c2ccccc2oc2cc(OCc3cccc(Br)c3)cc(O)c12 5443204 SINLXOUWEISOKB-UHFFFAOYSA-N 397.224 4.993 5 40 GJBB O=C(c1ccc([N+](=O)[O-])o1)N1CCC(CCc2cccc(C(F)(F)F)c2)CC1 518297861 JJZBGKKYNALRCA-UHFFFAOYSA-N 396.365 4.692 5 40 GJBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1nc2ccccc2s1 4167575 UNBGPJWCZSIXKH-UHFFFAOYSA-N 388.455 4.642 5 40 GJBB O=[N+]([O-])c1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 20195564 NJDHWEAVFJWBIT-UHFFFAOYSA-N 381.244 4.979 5 40 GJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2253143 IMZPIOFTZPDCHH-HNNXBMFYSA-N 397.482 4.622 5 40 GJBB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1 8390792 AGNSTRZWBOBMGC-UHFFFAOYSA-N 390.424 4.875 5 40 GJBB COc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)c1 21579203 KTNKOBCFRRNMLL-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl 72229511 LYTMTGXMFRJPIH-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 408562933 SKLDTRKFKXQCKO-MRCUWXFGSA-N 381.457 4.503 5 40 GJBB CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)c2ccccc2Br)c1 17965039 BQPMKVDDKGXGIW-SNVBAGLBSA-N 395.278 4.570 5 40 GJBB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 855676 RUDFFERGFQHSOJ-YVEFUNNKSA-N 385.489 4.661 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2405673 AYBWXTKKVNWWIB-INIZCTEOSA-N 397.482 4.871 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1 225075014 VTFADCMBDRTRBD-UHFFFAOYSA-N 398.440 4.521 5 40 GJBB C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H](O)c1c(Cl)cccc1Cl 1651565516 NACDGICOQMUZND-MGNBDDOMSA-N 392.242 4.984 5 40 GJBB O=c1c2ccccc2nc(SCc2ccccc2[N+](=O)[O-])n1-c1ccccc1 2360862 VMHTWGWMFJQBSU-UHFFFAOYSA-N 389.436 4.586 5 40 GJBB Cc1cccc(-c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)c1 2751429 CGIHRXWKLYLVMX-UHFFFAOYSA-N 383.425 4.646 5 40 GJBB CCOc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(C)c2[N+](=O)[O-])cc1 5393484 KZXLWWTVOWUHPI-UHFFFAOYSA-N 383.383 4.718 5 40 GJBB O=C(OCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1[N+](=O)[O-] 2655676 GIQYMQHIQQOSTN-UHFFFAOYSA-N 399.406 4.805 5 40 GJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(-c2ccccc2)[nH]n1 7028262 RBAMCBUQOZPBCE-UHFFFAOYSA-N 396.402 4.693 5 40 GJBB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1 14291419 IQHPPXCKIWBJDV-UHFFFAOYSA-N 394.383 4.592 5 40 GJBB CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 44088198 FUSKWGOVZKBIJP-UHFFFAOYSA-N 377.372 4.771 5 40 GJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2[nH]c3ccc(Cl)cc3c2C1 65541859 WJIMCXHBAZWPND-UHFFFAOYSA-N 390.226 4.581 5 40 GJBB c1ccc2c(c1)ccc1o/c(=N\n3cnnc3)c(-c3nc4ccccc4s3)cc12 3026223 CRAAGSUOJLBKSV-QLYXXIJNSA-N 395.447 4.818 5 40 GJBB CCCC1CCN(c2ccc(-c3n[nH]c(=O)c4ccccc34)cc2[N+](=O)[O-])CC1 35793957 KRLSKRXAUWRHRJ-UHFFFAOYSA-N 392.459 4.515 5 40 GJBB O=C(O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 2169508 RLNYDAFUTZRAIW-UHFFFAOYSA-N 378.340 4.630 5 40 GJBB in-vitro CN1c2ccccc2[C@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@@]312 4794345 WZPULXTWYBZUOB-LEWJYISDSA-N 393.399 4.567 5 40 GJBB aggregator CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 22527047 COUVYSWCJYJLGS-LJQANCHMSA-N 380.400 4.553 5 40 GJBB O=C(N(Cc1ccccc1)Cc1ccccc1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225991419 JIRQYZLSTAMLDM-UHFFFAOYSA-N 386.451 4.855 5 40 GJBB COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CCC1OCCCO1 13692997 ZFOWVQIHJGJJAC-UHFFFAOYSA-N 391.471 4.516 5 40 GJBB COc1ccc(-c2noc(-c3ccc(N4CCCC[C@H]4C)c([N+](=O)[O-])c3)n2)cc1 15833789 BOXMHFUQUFJANX-CQSZACIVSA-N 394.431 4.699 5 40 GJBB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 3296205 NWWQOXLDECHCKC-JXMROGBWSA-N 387.823 4.639 5 40 GJBB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5383938 RAWRBPMOASMEMF-UHFFFAOYSA-N 390.439 4.938 5 40 GJBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1c(Cl)cccc1Cl 13924094 PKVNMNANTDKCCJ-QPEQYQDCSA-N 397.601 4.900 5 40 GJBB Cc1cccc(COc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)c1 16713220 ORVZBBSZKCCQTQ-SXGWCWSVSA-N 386.454 4.811 5 40 GJBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21 5066244 CDURTQYAWRVXON-UHFFFAOYSA-N 389.503 4.908 5 40 GJBB Cc1nccn1Cc1cccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 36393973 ZVSZYDQHQDLATH-UHFFFAOYSA-N 390.365 4.779 5 40 GJBB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cccc1[N+](=O)[O-] 1310962 FXHMOPBNNBUXKS-UHFFFAOYSA-N 393.365 4.775 5 40 GJBB Cc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(C)cc3)c2C)cc1 17079089 DWZVFXJXSBCORI-UHFFFAOYSA-N 387.443 4.753 5 40 GJBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 56171603 CANAKGICJSHBCV-NSHDSACASA-N 380.429 4.519 5 40 GJBB Cn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2cc(Cl)c(Cl)cc21 1889201581 LCMIPGYKHCSPCZ-UHFFFAOYSA-N 399.215 4.848 5 40 GJBB CCc1ccc(OCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)cc1 1083473 IVYRCHNHYYYXPM-UHFFFAOYSA-N 396.399 4.590 5 40 GJBB O=C(Nc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 1399844 QEJBBELDFRRLJH-UHFFFAOYSA-N 384.313 4.612 5 40 GJBB aggregator COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1 6788604 FEQGQTGNOZQKBS-ZDUSSCGKSA-N 397.456 4.579 5 40 GJBB C[N+](CCOc1ccccc1)(CCOc1ccccc1)CCOc1ccccc1 1459995 MOAHROCSXNNWGE-UHFFFAOYSA-N 392.519 4.670 5 40 GJBB CCCCc1ccc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2c1 6342772 VEMYCSDESDUFMM-UHFFFAOYSA-N 385.445 4.565 5 40 GJBB O=[N+]([O-])c1cc(-c2noc(C3CCCCC3)n2)ccc1NCc1cccnc1 9669054 ZCZZRTAPWOTXJY-UHFFFAOYSA-N 379.420 4.700 5 40 GJBB CCOc1ccc([C@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 13646413 XESLHDMFDQNTLU-LBPRGKRZSA-N 392.839 4.537 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 843651 HJLKVPMAXDNQPE-XLIONFOSSA-N 377.425 4.899 5 40 GJBB C[C@@H](Sc1ncnc2sccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7112862 GSLRKOKVJRARHY-SECBINFHSA-N 385.430 4.503 5 40 GJBB O=C(c1ccccc1)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 15169491 VCFWPTWJKHKNAL-OAHLLOKOSA-N 378.350 4.605 5 40 GJBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1 79191975 HPFNBGLLMQUIIO-UHFFFAOYSA-N 389.411 4.586 5 40 GJBB biogenic COc1ccc(NC(=O)CN(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 408581009 FYQDBFUAGFMFSK-UHFFFAOYSA-N 389.496 4.509 5 40 GJBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@]312 2271193 WZPULXTWYBZUOB-RTWAWAEBSA-N 393.399 4.567 5 40 GJBB aggregator Cc1ccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)c(C(C)(C)C)c1 226071736 QJIRWMXRIFGVHK-JOCHJYFZSA-N 382.568 4.843 5 40 GJBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccc2ccccc2c1 1295469 XJUFFKKVFOAZSJ-YVLHZVERSA-N 378.771 4.746 5 40 GJBB Cc1ccc(C(=O)C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)cc1 54124173 ZRLWGEJHCFVKFD-UHFFFAOYSA-N 375.428 4.551 5 40 GJBB CCCc1ccc(C(=O)N(C)Cc2nc(-c3cccc([N+](=O)[O-])c3)c(C)[nH]2)cc1 89960447 YUNKTOUBKQQJTB-UHFFFAOYSA-N 392.459 4.518 5 40 GJBB Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)c1 2251678 KLAXYPVJTNNUCF-UHFFFAOYSA-N 397.482 4.556 5 40 GJBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2742592 LGCRLVBQLCTATB-QMMMGPOBSA-N 389.622 4.961 5 40 GJBB Cc1ccc(COc2ccc([N+](=O)[O-])cc2/C=C2\SC(=S)N=C2O)cc1 16713216 QJZKGGOPPWJCEH-SXGWCWSVSA-N 386.454 4.811 5 40 GJBB COC(=O)c1cc(-c2ccc(/C=C\c3onc(C)c3[N+](=O)[O-])o2)ccc1Cl 408541757 FSDCGAZUMXOKQI-YVMONPNESA-N 388.763 4.762 5 40 GJBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1C 2251276 HCNAHMZEROFFNB-UHFFFAOYSA-N 397.482 4.556 5 40 GJBB CC[N+](C)(CC)CCCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl 31939012 IQTKDFUCKTYFDY-MRXNPFEDSA-N 382.783 4.573 5 40 GJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1cc(C)c(Cl)c(C)c1 72228847 LOBLXCUXJYNDCT-UHFFFAOYSA-N 376.840 4.753 5 40 GJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@H]1c1ccc[nH]1 95953860 KNDAZNRQUZYYQV-INIZCTEOSA-N 385.807 4.814 5 40 GJBB O=C(COc1ccccc1)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 6660775 ISEDCQPUYVEXHV-UHFFFAOYSA-N 379.799 4.617 5 40 GJBB Cc1noc(/C=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1[N+](=O)[O-] 108977366 VQZDJXBWRZPHAH-DAXSKMNVSA-N 375.724 4.883 5 40 GJBB CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 4313600 ZAOILEJTBVCGRG-UHFFFAOYSA-N 392.411 4.825 5 40 GJBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(Oc2cccc([N+](=O)[O-])c2)c1 4322828 UAFNQLXHJCROEI-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB O=C(c1ccccc1)c1ccc(NCc2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 9117709 CQNIUXJQQNPYDD-UHFFFAOYSA-N 398.422 4.624 5 40 GJBB C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 24538460 WIIDXBCSSUKCJO-CABCVRRESA-N 387.505 4.726 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 10254602 XHZLVRFBIZPSSI-UHFFFAOYSA-N 387.823 4.501 5 40 GJBB O=[N+]([O-])c1ccc(N2CCCCCC2)c([C@@H]2OCCCN2Cc2ccccc2)c1 59489915 XMUJSEMQRYDARC-QHCPKHFHSA-N 395.503 4.896 5 40 GJBB CC1(C)C(=O)O[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1=O 1316006 NXLUMXTWTSVDNI-SFHVURJKSA-N 396.443 4.529 5 40 GJBB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)c1C 4070387 SYNKQOUKNOHUSU-UHFFFAOYSA-N 382.445 4.599 5 40 GJBB Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccccc3)cn12 4930818 FVKBVZYSHLKCMC-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB S=C(Nc1cc2cccnc2c2ncccc12)N1CC[C@H](c2ccccc2)C1 1104210 HNZKLXNNOJHFMX-SFHVURJKSA-N 384.508 4.969 5 40 GJBB O=[N+]([O-])c1ccc2sc(SCc3cc4c(cc3Cl)OCO4)nc2c1 20120553 AKSHIJVQKFHUBM-UHFFFAOYSA-N 380.834 4.879 5 40 GJBB O=C(Nc1ccccc1[N+](=O)[O-])N(Cc1ccccc1C(F)(F)F)C1CC1 40151575 XMVWQMLPOCZSDZ-UHFFFAOYSA-N 379.338 4.810 5 40 GJBB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)no2)cc1 61997117 VJPYTSZZHRBDBN-UHFFFAOYSA-N 381.388 4.681 5 40 GJBB C[N+](C)(Cc1ccc(F)cc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 226072128 WFTZPTRIAZJRSN-QHCPKHFHSA-N 380.483 4.509 5 40 GJBB CC(C)(C)c1ccc(OCCNc2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 5284325 RORNOBATHKFLCC-UHFFFAOYSA-N 383.492 4.983 5 40 GJBB O=C(Cc1ccccc1[N+](=O)[O-])NC[C@H]1CC2c3ccccc3C1c1ccccc12 23054960 MDQNZPPILBWWNA-RVCSHAMNSA-N 398.462 4.551 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409000901 YYCNKZGNIUCPNS-YUXAGFNASA-N 387.395 4.974 5 40 GJBB O=C(O)c1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@H]12 6277043 IXMNKTUICILJED-KSEOMHKRSA-N 386.407 4.764 5 40 GJBB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cn2)c1 36391448 BCLBNMXULIXZQX-UHFFFAOYSA-N 391.427 4.637 5 40 GJBB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222919976 PVBVOIQTQRPFJY-SFHVURJKSA-N 386.448 4.697 5 40 GJBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCC 408620375 MEKVARIAUYBZLS-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB CN(C)c1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 6949018 JLQUSCJWRPLPQA-UHFFFAOYSA-N 392.411 4.810 5 40 GJBB C[N+]1(C[C@@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCCC1 27666073 OZOCHMLFPCNOTI-ZFDSFTMVSA-N 384.584 4.525 5 40 GJBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(N2CCCCCC2)cc1 65836199 GPKMGWQGIPAPLS-UHFFFAOYSA-N 392.459 4.569 5 40 GJBB Cc1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(C)(C)C(C)C)c1 4713307 NQYSSMAXRBNJOC-UHFFFAOYSA-N 386.404 4.964 5 40 GJBB Cc1ccccc1-c1noc(-c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)n1 8587070 DAJSXGSRGUYSGU-UHFFFAOYSA-N 376.372 4.825 5 40 GJBB S=C(NCc1ccccc1)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 38311616 SUKFKBJCXFTWBX-UHFFFAOYSA-N 383.480 4.751 5 40 GJBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(OC(F)F)cc1 6597926 NBNDUJJQRDCENM-UHFFFAOYSA-N 396.345 4.905 5 40 GJBB C[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 48302177 OPNSVEDXZDMBMU-INIZCTEOSA-N 376.412 4.665 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 6885019 CQICQHOFOAFCGC-NRFANRHFSA-N 388.383 4.859 5 40 GJBB O=c1c2ccccc2oc2cc(OCc3ccc(Br)cc3)cc(O)c12 8519990 HMXBUIUXWALQPN-UHFFFAOYSA-N 397.224 4.993 5 40 GJBB biogenic CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 52410706 ZMLBJIQGOFULPZ-UHFFFAOYSA-N 382.203 4.502 5 40 GJBB Cc1c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cccc1[N+](=O)[O-] 408618565 DKBIVKMDECWOQE-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 6595835 KWJYMLVVLRNEKV-FQEVSTJZSA-N 379.343 4.515 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NC[C@H](c1ccco1)N1CCCCC1 7780748 MMBQFCKHMLAAAQ-MRXNPFEDSA-N 383.370 4.846 5 40 GJBB O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)Nc1ccc(F)cc1 7978629 BPYHXZRVBQXUAJ-UHFFFAOYSA-N 380.379 4.528 5 40 GJBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(F)cccc1Cl 215148920 WXMGTCRAWZWUMJ-OVCLIPMQSA-N 392.795 4.624 5 40 GJBB CC(C)N(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)C(C)C 4246544 VZCVRIPZONLTKA-UHFFFAOYSA-N 392.528 4.773 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(Cl)c3Cl)nc12 10010548 ZCXPXWNWFJCVPE-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB C[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1cccc([N+](=O)[O-])c1 48302178 OPNSVEDXZDMBMU-MRXNPFEDSA-N 376.412 4.665 5 40 GJBB Cc1cc(OCC(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2Cl)ccc1Cl 72229518 PFUOPVKNVFFQDA-UHFFFAOYSA-N 389.622 4.881 5 40 GJBB COc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 6646471 WCAHBVJWOGHIKG-UHFFFAOYSA-N 379.368 4.753 5 40 GJBB Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 8040531 BZUCVRZTFMSSMK-UHFFFAOYSA-N 384.395 4.766 5 40 GJBB C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H](O)c1c(Cl)cccc1Cl 1651565518 NACDGICOQMUZND-MLCYQJTMSA-N 392.242 4.984 5 40 GJBB Cc1cccc(Oc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1C 820914 RTNVDBNXGBEGFU-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB Cc1ccc(C)c2nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c3cc12 4130433 ZMOTVZUTVNZBRK-UHFFFAOYSA-N 392.440 4.809 5 40 GJBB CCCC(=O)Oc1cn(C2CC2)c2nc(CCC)n3c4ccccc4nc3c12 8625022 KAZKRPMVYQYLGZ-UHFFFAOYSA-N 376.460 4.830 5 40 GJBB CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 72228832 FIIJQSMLTRRPJH-UHFFFAOYSA-N 383.231 4.790 5 40 GJBB Cc1cccc(C(=O)Nc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)c1 24522425 IVQSPZQXOGRXSH-UHFFFAOYSA-N 390.395 4.513 5 40 GJBB CSc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1[N+](=O)[O-] 3417948 FUBMQMOTYYDLHI-JTQLQIEISA-N 395.278 4.570 5 40 GJBB CC(C)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 69448069 AAVFZNNKNDSWNO-UHFFFAOYSA-N 390.487 4.589 5 40 GJBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cc(Cl)c(Cl)cc1Cl 193410989 CLKDZOZXFPIPBQ-UHFFFAOYSA-N 392.651 4.681 5 40 GJBB O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1 408626180 ZYINDLIWBSVORZ-UHFFFAOYSA-N 385.759 4.548 5 40 GJBB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 215280403 DWKHZBJAWDUDJL-VCHYOVAHSA-N 393.424 4.621 5 40 GJBB O=[N+]([O-])c1ccccc1OCCCN1CCC(c2nc3ccccc3s2)CC1 9486594 BMNLGBNDNDNWCT-UHFFFAOYSA-N 397.500 4.853 5 40 GJBB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 4676815 FUFCCRGHPFIISD-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB Cc1ccc2[nH]c3c(cc(N4CCCC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 4834512 ACFSMXBDYBCXGE-UHFFFAOYSA-N 396.446 4.850 5 40 GJBB O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 5032711 NBJWPJAYFNHKDV-BUHFOSPRSA-N 397.434 4.718 5 40 GJBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 6949112 BBCLHJFJROIWDW-UHFFFAOYSA-N 385.759 4.548 5 40 GJBB O=C(Nc1ccc(Sc2nc3ccccc3[nH]2)cc1)c1cccc([N+](=O)[O-])c1 8134671 LWHXTTNKMLEXSD-UHFFFAOYSA-N 390.424 4.875 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccc(F)cc2)cc1 8435771 WZTOSFQPPJEMSE-UHFFFAOYSA-N 395.434 4.515 5 40 GJBB CCOC(=O)c1cc2c(=O)c3ccccc3oc2nc1/C=C/Nc1ccccc1 100324751 HNYNWUULMBSOLO-OUKQBFOZSA-N 386.407 4.601 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)N(Cc1ccccc1)Cc1ccccc1 4078806 HPSUJWVBNVXWKL-ACCUITESSA-N 378.453 4.899 5 40 GJBB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 728432 JOOGLPQECCMBLS-UHFFFAOYSA-N 375.743 4.603 5 40 GJBB O=[N+]([O-])c1ccc2nc(-c3ccccc3)n(OCc3cccc(Cl)c3)c2c1 1389413 SKGGVZBJNCEQRQ-UHFFFAOYSA-N 379.803 4.894 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C 5740123 XISFASUKIZPISS-GQCTYLIASA-N 381.215 4.871 5 40 GJBB CCCCn1c(-c2ccc(F)cc2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2239661 ZLHPRJYFVSSIRZ-UHFFFAOYSA-N 398.821 4.763 5 40 GJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 9190319 XDUKQCGRSYOLGX-UHFFFAOYSA-N 388.383 4.667 5 40 GJBB Cc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1[N+](=O)[O-] 96194157 VIJHBDBWZOVSEO-UHFFFAOYSA-N 391.412 4.791 5 40 GJBB O=C(c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)n1cc(CO)c2ccccc21 226768926 UZAGHWOCMZRZOQ-UHFFFAOYSA-N 396.786 4.644 5 40 GJBB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccc(C)cc2)cc1 3270318 CWEQRYZHHRBMEE-HXUWFJFHSA-N 379.368 4.586 5 40 GJBB COc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 3338056 KOMTXYNHJAWGRH-UHFFFAOYSA-N 393.395 4.539 5 40 GJBB CC(C)(C)c1ccc(-c2nnc3sc(-c4cccc([N+](=O)[O-])c4)nn23)cc1 13690521 KDSGUYBHYMDKOQ-UHFFFAOYSA-N 379.445 4.726 5 40 GJBB O=[N+]([O-])c1ccc(NCc2ccccc2-c2ccc(CN3CCCC3)cc2)nc1 24212458 HHZSIWYJJJFLSC-UHFFFAOYSA-N 388.471 4.865 5 40 GJBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 823400 PGGCRJSUGNKDJX-UHFFFAOYSA-N 396.424 4.752 5 40 GJBB COc1ccc2c(=O)c3c(nc(-c4cccs4)n4c5ccccc5nc34)oc2c1 5208065 DWKLMTHYTBWAIK-UHFFFAOYSA-N 399.431 4.879 5 40 GJBB CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 5552432 IPIYUTRWJPNVDJ-GZTJUZNOSA-N 386.429 5.000 5 40 GJBB COC(=O)[C@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-n2ccc3ccccc32)c1 169803931 NCZCZDUTKLZYKQ-JOCHJYFZSA-N 386.407 4.844 5 40 GJBB O=[N+]([O-])c1cccc(NC(=S)Nc2cc3cccnc3c3ncccc23)c1 409334549 SWWNIFSHCYMFHM-UHFFFAOYSA-N 375.413 4.500 5 40 GJBB CC1(C)COP(=O)([C@@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)OC1 4047870 COWABWMXTPAXOA-QGZVFWFLSA-N 392.348 4.677 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(C)cc1 5215540 FSBWCBZHWIEJTD-INIZCTEOSA-N 397.482 4.622 5 40 GJBB COc1ccc(-c2csc3ncnc(Oc4ccc(C)nc4[N+](=O)[O-])c23)cc1 7781917 DMVIFWPQIBBQNT-UHFFFAOYSA-N 394.412 4.771 5 40 GJBB Cc1cccc(NC(=O)COc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)c1 408605654 GHQDOSWATDDTOO-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C 408623317 SSMHBIXODSWDHD-VOTSOKGWSA-N 381.215 4.871 5 40 GJBB Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2nc(-c3ccc(F)cc3)cn12 4930916 VDINDOSYESRFGK-UHFFFAOYSA-N 396.403 4.671 5 40 GJBB COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@@H]1CCCCN1C3 14947646 RSHYSOGXGSUUIJ-HNNXBMFYSA-N 377.484 4.929 5 40 GJBB biogenic O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CCc1ccccc1 409201560 MLMHABGAKNZNCR-WJDWOHSUSA-N 388.832 4.527 5 40 GJBB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3C)nc2c1 830439 IGXYKBVPTSVFAA-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB Cc1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])c(C)c1 4817256 TZLOPUIMLCJIIR-ZDUSSCGKSA-N 381.436 4.728 5 40 GJBB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cccc([N+](=O)[O-])c2)s1 6789920 XWPHOGSZONOAPP-UHFFFAOYSA-N 380.469 4.850 5 40 GJBB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 26604983 MYPMPORVARYPRX-QGZVFWFLSA-N 394.258 4.505 5 40 GJBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2CCC(C)C 2247670 OJVZISGSQXLXDH-UHFFFAOYSA-N 389.503 4.764 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1cccc(OC(F)(F)F)c1 44017747 OSKVYIKLFGBRKB-NSHDSACASA-N 383.326 4.718 5 40 GJBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc([N+](=O)[O-])c1 408627838 OHFVNRWIDCQEIV-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(Nc3nc4cc(Cl)ccc4o3)nc12 57352690 IAYIYEXTFYUAGB-UHFFFAOYSA-N 376.781 4.751 5 40 GJBB COc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 2249447 JKYNDAVPBNFWOO-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 4213020 NWPJXBVABVGGLK-UHFFFAOYSA-N 399.450 4.973 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(Br)cc3)nc12 4678268 GLOAQRVCXBQLDL-UHFFFAOYSA-N 397.232 4.678 5 40 GJBB Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C 13002000 ZILWKDOLDSXQCS-CYBMUJFWSA-N 375.808 4.602 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cc(Cl)cc(Cl)c1OC 1848208 UCJNGYFZXHLVKL-ZZXKWVIFSA-N 397.214 4.571 5 40 GJBB O=C(CSc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 3615321 JCCDXQUPMAXSGB-UHFFFAOYSA-N 378.453 4.593 5 40 GJBB COc1cc(NCc2cc(-c3ccc(F)cc3F)on2)c(Cl)cc1[N+](=O)[O-] 1559271420 GEPXHXQWFIKYSQ-UHFFFAOYSA-N 395.749 4.802 5 40 GJBB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3226643 VXEIKPKUXZSJSO-UHFFFAOYSA-N 382.323 4.867 5 40 GJBB COc1ccc(Cc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)cc1OC 13009521 UTFYTJNIBFOTGI-UHFFFAOYSA-N 390.848 4.980 5 40 GJBB O=C(OCc1nc2ccccc2c2ccccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102441050 XQJDLMXLVRSICA-IMWZJCIKSA-N 387.479 4.763 5 40 GJBB O=c1c2ccccc2nc(-c2ccccc2[N+](=O)[O-])n1-c1ccccc1Cl 1299562 MCNMIAISCKUBSS-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB CCCCN(CCCC)c1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1 4179490 COPFYMZBZKQDPH-UHFFFAOYSA-N 378.864 4.583 5 40 GJBB O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859716 SGYWDQXTPZOBCU-ZUTGBWQUSA-N 386.498 4.662 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1OC(F)(F)F 43878768 FAEIUEPGIJJEMI-LLVKDONJSA-N 383.326 4.718 5 40 GJBB CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5 1244321 VUKMHURDNOPCCG-UHFFFAOYSA-N 389.509 4.765 5 40 GJBB O=[N+]([O-])c1ccc(N2CCCCC2)cc1NCCOc1ccc(Cl)cc1 4181090 DXZSLZPTKYBGOB-UHFFFAOYSA-N 375.856 4.729 5 40 GJBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)C1CCCC1 14065957 PMYOONZIJMXFFY-UHFFFAOYSA-N 388.445 4.629 5 40 GJBB Cc1noc(C[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(F)cc2)c1[N+](=O)[O-] 19872738 VOGKJMCKEQOGLY-OAHLLOKOSA-N 386.354 4.769 5 40 GJBB CC[N+]1(C)CC[C@@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 5851297 NAGNEDWJLLWFMD-WXFOFVMLSA-N 393.334 4.550 5 40 GJBB COc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 726803 OPHKRCRRUANTHW-UHFFFAOYSA-N 380.381 4.500 5 40 GJBB O=C1C[C@@H](c2ccco2)Sc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 5053385 ZLFDGQRVHCDECZ-IBGZPJMESA-N 380.425 4.958 5 40 GJBB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 1313390 LSVOSFMHICLJLP-UHFFFAOYSA-N 393.365 4.775 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccccc1[N+](=O)[O-] 4070390 YBQMNQYBAWBCQU-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB C[C@@H](NC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 84656311 GHBZEVOTFGWURQ-DYVFJYSZSA-N 396.472 4.812 5 40 GJBB Oc1ccc2c(c1)oc1c(-c3cccnc3)c3c(O)nn(C4CCCC4)c3nc12 95475143 OSXKUESUUMPMTG-UHFFFAOYSA-N 386.411 4.919 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2sccc2n1Cc1ccccc1 4970998 SKIACQMAMFGDAT-UHFFFAOYSA-N 377.425 4.912 5 40 GJBB CC(C)(C)OC(=O)n1c2ccncc2c2ccc(-c3ccc([N+](=O)[O-])nc3)cc21 1857795414 ISMSBSWTELQKON-UHFFFAOYSA-N 390.399 4.943 5 40 GJBB CC1(C)C(=O)C2(CCCCC2)C(=O)O[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 1315946 SVTJIRHYFZIFGV-GOSISDBHSA-N 396.443 4.529 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Cl)ccc3Cl)nc12 10010551 OATZZSVWVMJROS-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br 4657115 PHMZPIHTRQICIW-UHFFFAOYSA-N 377.238 4.907 5 40 GJBB O=C(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1cccc(Cl)c1 5583780 UIXYWTPMSGKKAZ-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB Cc1ccc(C2=N/C(=C\c3c(Cl)cccc3Cl)C(=O)O2)cc1[N+](=O)[O-] 6995682 HIWBJIQAGXXIRZ-ZSOIEALJSA-N 377.183 4.555 5 40 GJBB Cc1cc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)ccc1[N+](=O)[O-] 72229946 XECMHQBWLNTNIM-FQEVSTJZSA-N 396.830 4.891 5 40 GJBB O=C(Nc1ccccc1F)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] 3128275 KUYMSNPHTBMEOQ-UHFFFAOYSA-N 376.340 4.979 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2)o1 20151033 FYQOVZQUVSPZCV-DHZHZOJOSA-N 392.367 4.513 5 40 GJBB C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 54125111 HRXPQSRVIINYLU-ZDUSSCGKSA-N 380.379 4.554 5 40 GJBB S=C(Oc1ccc2nc3[nH]c4ccccc4c3nc2c1)N1CCCCCC1 103926876 DVNANUIOJOULQF-UHFFFAOYSA-N 376.485 4.804 5 40 GJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)s1 4337122 MRNCMPNIQHLSNF-OXQOHEQNSA-N 377.425 4.899 5 40 GJBB Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2C)c1 6318758 RONIIEIFOYIECS-UHFFFAOYSA-N 389.411 4.716 5 40 GJBB COc1ccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc1 8586885 FTFFKUQOCBPSIP-UHFFFAOYSA-N 392.371 4.526 5 40 GJBB CC(C)(C)c1ccc(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1 40169689 PMAHXZYUQAZNHU-UHFFFAOYSA-N 386.839 4.910 5 40 GJBB CC(C)c1ccc(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)c(C(C)C)c1 1264486514 XXFCUQBCAYJKHW-OAQYLSRUSA-N 395.459 4.973 5 40 GJBB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1 13726106 VZCISMZELZEKPJ-UHFFFAOYSA-N 379.445 4.726 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 21595806 VFTZHBHKCOBYAK-UHFFFAOYSA-N 391.792 4.932 5 40 GJBB COc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 10000557 JWDXOZLYEGYFAJ-UHFFFAOYSA-N 379.368 4.753 5 40 GJBB CCc1cc(N2CCCC[C@H]2c2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282893 KWZNQVDDXVRLGF-KRWDZBQOSA-N 395.488 4.802 5 40 GJBB O=c1c2c3c(sc2nc2c4ccccc4c(-c4ccc(F)cc4)nn12)CCC3 1017540 YNZBXYBKZYQSRD-UHFFFAOYSA-N 387.439 4.752 5 40 GJBB COc1cc([N+](=O)[O-])cc(/C=C/c2c3ccccc3c3ccccc3[n+]2C)c1O 35183262 ZFPIJTBWYYZJOO-UHFFFAOYSA-O 387.415 4.610 5 40 GJBB CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl 57997424 YFWRYMRRLXCUND-UHFFFAOYSA-N 387.867 4.518 5 40 GJBB Cc1cc(C2=N/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)O2)ccc1[N+](=O)[O-] 97987578 SRVYGIAESQWLPJ-XSFVSMFZSA-N 384.391 4.915 5 40 GJBB O=C(Cc1ccc(Cl)cc1)OCc1cc(=O)oc2ccc3ccccc3c12 3345811 VFYFRNZAWATEMO-UHFFFAOYSA-N 378.811 4.886 5 40 GJBB Cc1cccc(-c2nc3c(c(=O)c4ccccc4n3C)c3nc4ccccc4n23)c1 5206277 RKFBFIXGWZNIFR-UHFFFAOYSA-N 390.446 4.863 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 26460258 YXOQWJJFYWVAJQ-QGZVFWFLSA-N 394.258 4.505 5 40 GJBB CCCOc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 14376659 SFPWXPRBFSWHTP-UHFFFAOYSA-N 383.429 4.759 5 40 GJBB CC(C)CCOC(=O)Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 5014041 MRLKKKGXKXFUFM-UHFFFAOYSA-N 381.863 4.980 5 40 GJBB CCCCCCC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 27016226 MEUSPYMAWZXRSX-CQSZACIVSA-N 397.686 4.757 5 40 GJBB CN(Cc1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 32903621 ANRSWLLNFOIUAJ-UHFFFAOYSA-N 381.476 4.541 5 40 GJBB COc1cc2nc3ccc(NC(=S)N(C(C)C)C(C)C)cc3nc2cc1OC 408996656 MATUYPCSALMFOZ-UHFFFAOYSA-N 398.532 4.616 5 40 GJBB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(F)c([N+](=O)[O-])c1 6789592 WQFBWGLFOSPISW-UHFFFAOYSA-N 397.840 4.728 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)c1cnc(-c2ccccc2)s1 40134238 KKAOJZGPBCNDLX-UHFFFAOYSA-N 391.355 4.572 5 40 GJBB CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 57313602 CAOXDIVNBHTTMO-WYMLVPIESA-N 378.384 4.905 5 40 GJBB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106739044 NOPSZHWTUDMWEL-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 957917 INQWOCUOYJQUOL-UHFFFAOYSA-N 397.456 4.859 5 40 GJBB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc([N+](=O)[O-])cc1Cl 3375976 YRUKOTZMWHXMBW-UHFFFAOYSA-N 387.726 4.528 5 40 GJBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1C 4122457 WFVLQNSSCLDKKH-UHFFFAOYSA-N 388.383 4.667 5 40 GJBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2)o1 20151021 UILHMJJAFPSYJC-JXMROGBWSA-N 392.367 4.513 5 40 GJBB Cc1c(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cccc1[N+](=O)[O-] 10120057 SHFFPELSBNPMNV-UHFFFAOYSA-N 387.395 4.888 5 40 GJBB Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cs1 12893155 NHIAQPNBAVQXGZ-UHFFFAOYSA-N 393.877 4.672 5 40 GJBB Cc1ccc2nc(S[C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)[nH]c2c1 6506678 ZHVUAXPQSXLXJP-JTQLQIEISA-N 390.852 4.552 5 40 GJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(F)(F)F)cc1 11247454 AVSLOGYTNMTRPQ-UHFFFAOYSA-N 396.368 4.812 5 40 GJBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 17081409 RLZLTNRMZJRBKZ-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 20145322 CAWHTONYTQSGEE-DHZHZOJOSA-N 392.367 4.513 5 40 GJBB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5175769 BTJOQCCMPSBRMW-QMMMGPOBSA-N 389.622 4.961 5 40 GJBB CC[N+]1(C)CC[C@](O)(c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)C1 5851294 NAGNEDWJLLWFMD-GGGSXUAESA-N 393.334 4.550 5 40 GJBB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 26856796 TXSMQLNIQQFCBJ-LLVKDONJSA-N 384.910 4.839 5 40 GJBB CC1CC[N+](C)(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1 9763899 SJIFWINOXMELCP-SFVDSERZSA-N 398.611 4.771 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2nc3ccccc3nc12 81217750 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C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 4571340 KMYORFJVNHKUBJ-AYVTZFPOSA-N 377.853 4.863 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2cccc(OCc3ccccc3F)c2)cc1 8435795 WPFYHHIRIMYKNH-UHFFFAOYSA-N 395.434 4.515 5 40 GJBB O=[N+]([O-])c1ncccc1OCc1nc2cc(Cl)ccc2n1Cc1ccccc1 12777326 ZLPPKFLDTSEGLF-UHFFFAOYSA-N 394.818 4.620 5 40 GJBB CCc1cccc(C)c1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 14428076 FTJKOILYTQBBPK-UHFFFAOYSA-N 381.476 4.954 5 40 GJBB Cc1cccc(OCc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)c1 33664541 IINSGEZNNVLJNF-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 1085272 OQLLJCHJBOFXTH-UHFFFAOYSA-N 393.399 4.846 5 40 GJBB Cc1cc(=O)oc2cc(OCc3c(Cl)cccc3Cl)c([N+](=O)[O-])cc12 1789754 UAZNWSOZBMBQDD-UHFFFAOYSA-N 380.183 4.895 5 40 GJBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)c1c[nH]c2ccccc12 15670861 ZTKGSOOEJZYTKI-QFIPXVFZSA-N 385.423 4.938 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100549422 IGBYQHMFVDFJBZ-PXNMLYILSA-N 389.323 4.981 5 40 GJBB O=C(Nc1nc(-c2ccccn2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 2474965 BAYMLYAEYNCIJF-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB CC[N+]1(C[C@H](O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CCCC1 17316935 IBHKBWLSFWPIKQ-RZTYHALVSA-N 384.584 4.525 5 40 GJBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1 33752384 CEUHTZSMHPFFJR-CMDGGOBGSA-N 378.222 4.674 5 40 GJBB CC[N+](CC)(CC)[C@@H]1Nc2ccc(C)cc2[C@@](c2ccccc2)(C(F)(F)F)N1 103464190 SIIICMKOALRNTO-RTWAWAEBSA-N 392.489 4.976 5 40 GJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 5180246 DZICSJFSYSNPSZ-HNNXBMFYSA-N 397.482 4.871 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1c(F)cccc1Cl 8915934 RZJCQCUUKTZTAY-UHFFFAOYSA-N 388.782 4.823 5 40 GJBB CN1c2ccccc2S[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 226864136 WVNIUIVWRZQMED-INIZCTEOSA-N 391.246 4.659 5 40 GJBB CCCCCCC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3122761 TTXKCKNWOOHSGU-AWEZNQCLSA-N 396.702 4.790 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6554241 WXJSJLBMOACSDW-PKNBQFBNSA-N 390.424 4.852 5 40 GJBB CC[C@H](C)N(Cc1ccccc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12522389 NPISCXHYPHYILA-IBGZPJMESA-N 398.506 4.982 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccoc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 100020011 WGHFUVYAVSAAQG-RZNTYIFUSA-N 379.284 4.574 5 40 GJBB CCCCOCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OCC 224731880 HMIHBPREKDTTCC-UHFFFAOYSA-N 386.448 4.871 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl 408702123 CRQQILPCRKNZHI-UHFFFAOYSA-N 395.651 4.664 5 40 GJBB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 408841309 GDBUTDPUDRILAT-UKTHLTGXSA-N 384.800 4.807 5 40 GJBB Cc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931120 NVWPRPMVXNIYJH-UHFFFAOYSA-N 396.403 4.671 5 40 GJBB COc1ccc2oc(-c3csc(NC(=O)c4ccccc4[N+](=O)[O-])n3)cc2c1 10883140 AZUSOPHYSNFNND-UHFFFAOYSA-N 395.396 4.725 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccsc2)n1 12754513 VLBUPHIKTMIEET-LBPRGKRZSA-N 387.486 4.542 5 40 GJBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc12 14131930 FBMAABRQNKHVOK-XDHOZWIPSA-N 390.420 4.985 5 40 GJBB O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc([N+](=O)[O-])c1 409181856 FZTFHJORLFBJSV-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl 57911478 JMEYDOCCTUJFHO-UHFFFAOYSA-N 395.846 4.566 5 40 GJBB CCOc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 4126461 LWUOGARMKDNJCJ-UHFFFAOYSA-N 379.420 4.603 5 40 GJBB Nc1cc(Cl)ccc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 6084683 FVDKZWKFVPJMAV-UHFFFAOYSA-N 379.799 4.539 5 40 GJBB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl 107880673 ZAJACKVQWPYXOP-FPLPWBNLSA-N 382.199 4.859 5 40 GJBB O=C(COc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 4176613 KVBYXPNGIKADFA-UHFFFAOYSA-N 390.317 4.784 5 40 GJBB Nc1nc(Nc2ccc(Cl)cc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] 5025159 MROXFTSLLDHGSO-UHFFFAOYSA-N 391.218 4.761 5 40 GJBB CCNc1nc2c(s1)c(=O)[nH]c1c2sc2nc(C(F)(F)F)cc(C)c21 36612853 ZYVVBBSOEWFSRU-UHFFFAOYSA-N 384.408 4.507 5 40 GJBB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 65626428 BFFQMQRQRQQLOS-IBGZPJMESA-N 393.443 4.842 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2nc3ccccc3s2)cs1 4176340 ODGMUSYEIKZHOD-UHFFFAOYSA-N 397.441 4.972 5 40 GJBB CCc1ccc(OCC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 5992678 LVCDWEJJZKUHAL-UHFFFAOYSA-N 388.419 4.631 5 40 GJBB CCCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 6050959 JUWXXQLGJTWQGP-SFHVURJKSA-N 375.856 4.708 5 40 GJBB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1 408528263 DQXQQAMIGZDVMM-UHFFFAOYSA-N 397.390 4.938 5 40 GJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccccc1 408575055 VTONLBNVJFYZJL-IBGZPJMESA-N 382.489 4.809 5 40 GJBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccccc1F)n1c3ccccc3nc21 5246297 BIURPVLLNXYTDI-UHFFFAOYSA-N 394.409 4.694 5 40 GJBB Cc1ccc(NNc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1C 5337669 VKRFGVJTCHSJQK-UHFFFAOYSA-N 378.436 4.517 5 40 GJBB CCOc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCCC2)cc1 6870377 JALAUVXHWIGLNC-UHFFFAOYSA-N 395.459 4.655 5 40 GJBB Cc1noc(/C=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1[N+](=O)[O-] 408542110 HDYPKFDLEVXKGC-WDZFZDKYSA-N 381.344 4.549 5 40 GJBB Cc1c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cccc1[N+](=O)[O-] 22318616 FYQJNDAEMQCURI-UHFFFAOYSA-N 388.383 4.667 5 40 GJBB O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1C1CCCCC1 2312860 JROUWYKZLPHKDP-UHFFFAOYSA-N 395.466 4.789 5 40 GJBB O=c1c2ccsc2nc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6907525 DHIBTPJPNMTOEI-UHFFFAOYSA-N 395.465 4.648 5 40 GJBB CCCN1C(=O)c2cccc3c(Oc4ccc(C)cc4[N+](=O)[O-])ccc(c23)C1=O 95470979 SPFOOUXGCPJJPK-UHFFFAOYSA-N 390.395 4.855 5 40 GJBB CC(=O)CCc1ccc2oc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)c2c1 5865744 IYSXDIVJEGSORL-UHFFFAOYSA-N 381.384 4.528 5 40 GJBB C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 6249437 UWYMWGGSHNZEGW-NSHDSACASA-N 393.365 4.501 5 40 GJBB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 8562760 XRGQAOGYUQIBKZ-AWEZNQCLSA-N 380.375 4.807 5 40 GJBB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(O)c([N+](=O)[O-])c2)cc1 20477860 IMYOCJJICVVORM-UHFFFAOYSA-N 389.455 4.943 5 40 GJBB O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1cc([N+](=O)[O-])ccc1Cl 79093624 XJMKIQYVITYOHK-CQSZACIVSA-N 386.757 4.601 5 40 GJBB O=C(Nc1ccc(Cl)cc1OC(F)(F)F)c1c(F)ccc([N+](=O)[O-])c1F 2380600 RWJZUUDSXIHADU-UHFFFAOYSA-N 396.655 4.677 5 40 GJBB COc1cccc(-c2nc3c4sc5nc(C(F)F)cc(C)c5c4ncn3n2)c1 13644129 UATGARCTXAMCPC-UHFFFAOYSA-N 397.410 4.809 5 40 GJBB O=[N+]([O-])c1cccnc1NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 15118068 JQLUOBCYEVOJBW-UHFFFAOYSA-N 389.390 4.594 5 40 GJBB C[C@H]1[C@@H](c2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 79051320 VXTHNGAOOLRJNU-JXFKEZNVSA-N 377.444 4.670 5 40 GJBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2c3ccccc3cc3ccccc23)C1=O 409071807 PZMMMTHBTCRZCG-HCZVKUGISA-N 391.448 4.591 5 40 GJBB 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O=C(COc1ccc([N+](=O)[O-])cc1)N1c2ccccc2Sc2ccccc21 3286133 UTHCEBFJXVQICL-UHFFFAOYSA-N 378.409 4.803 5 40 GJBB Cc1cccc(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 32928361 VZDWCXSQVXAPNI-UHFFFAOYSA-N 381.479 4.659 5 40 GJBB CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2308256 DVZFVRIDZBZZIX-UHFFFAOYSA-N 397.482 4.864 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(-c2ccccc2)cc1 3332650 WYPHLDFUBUONEK-HNNXBMFYSA-N 391.427 4.710 5 40 GJBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)no2)ccc1NCCc1ccccc1 8586994 MAUNRNTUJCHIFC-UHFFFAOYSA-N 386.411 4.966 5 40 GJBB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl 6542079 MQQBPGATNOIXAI-LBPRGKRZSA-N 390.823 4.557 5 40 GJBB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12538581 PNARJAQKXWRJET-UHFFFAOYSA-N 398.831 4.877 5 40 GJBB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 12814023 MWDCRGIIWLFDHV-DRDHIDPGSA-N 376.865 4.859 5 40 GJBB CNC(=O)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 820423 XHTOAANDXIDMQW-KQWNVCNZSA-N 380.447 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CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409021249 ZMFBTCLIXMAFLF-YXHQGMJNSA-N 386.429 4.998 5 40 GJBB COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])c3cnccc23)c(OC)c1 12636504 ZWUXYDJZVSWVHE-GOSISDBHSA-N 379.416 4.502 5 40 GJBB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409016872 KSLHIUQOMSRANJ-OVCLIPMQSA-N 392.820 4.953 5 40 GJBB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 4502145 ZDNLFGRPNNHTRQ-GZTJUZNOSA-N 394.770 4.853 5 40 GJBB CC(C)c1ccc([C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(C)C)cc1 24059355 SDNAECQTCKKATD-GOSISDBHSA-N 380.448 4.535 5 40 GJBB CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(F)cc1 408561911 LNCYETBQLPEIFI-XDOYNYLZSA-N 399.447 4.587 5 40 GJBB Cc1cc(C(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c(C)n1C1CC1 6560333 WUVKJPNFTNRTBL-UHFFFAOYSA-N 387.486 4.933 5 40 GJBB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 4740801 XHNOOMUAQNCYTL-UHFFFAOYSA-N 397.456 4.917 5 40 GJBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccccc2OC)cc1 7597550 HYEOGCUDIUQBCL-UHFFFAOYSA-N 393.395 4.541 5 40 GJBB C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1 12543105 DRPYAMBDCBIFEJ-INIZCTEOSA-N 396.446 4.778 5 40 GJBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)C13C[C@@H]4C[C@H](CC(Cl)(C4)C1)C3)CCC2 100745283 KBOAUZXZOYOMEX-QPJSQEPWSA-N 380.980 4.517 5 40 GJBB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c([N+](=O)[O-])c1 408622525 PUKBRBNOMZHXPZ-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 408996703 MQEBVWFJRVYQIH-HJNYFJLDSA-N 386.407 4.764 5 40 GJBB COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccc([N+](=O)[O-])cc3)C2)c1 4647292 JJARTENOXWQYRC-UHFFFAOYSA-N 387.395 4.954 5 40 GJBB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C 8986348 RVJZQWYATNDBQG-RPQNVMPDSA-N 383.492 4.870 5 40 GJBB O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1 27027337 JXEFDLQGKGWCFD-MRCUWXFGSA-N 377.425 4.999 5 40 GJBB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 248337500 QBFMQYQOWSTRMA-RTOVEXDRSA-N 378.428 4.898 5 40 GJBB C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 682002440 XAMMYWNXRMHVQE-CQSZACIVSA-N 386.426 4.580 5 40 GJBB CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 851902 MQVGTHGWEZWAMN-UHFFFAOYSA-N 393.399 4.846 5 40 GJBB Cc1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])c(C)c1 4817257 TZLOPUIMLCJIIR-CYBMUJFWSA-N 381.436 4.728 5 40 GJBB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 8418436 KGYUKNDESOBKMO-UHFFFAOYSA-N 385.851 4.910 5 40 GJBB O=[N+]([O-])c1c(N2CCCN(Cc3ccc(Cl)cc3)CC2)ccc2ncccc12 59384513 UWRMIWQTPLKVCR-UHFFFAOYSA-N 396.878 4.509 5 40 GJBB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409017737 OYHCTSCAKLJKRI-WOJGMQOQSA-N 398.440 4.619 5 40 GJBB O=c1oc2ccc(Br)cc2cc1Sc1ccc([N+](=O)[O-])cc1 3255811 GOJCCUGBLYVCPC-UHFFFAOYSA-N 378.203 4.615 5 40 GJBB CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 5985352 COASEWJHVFKSNY-UHFFFAOYSA-N 395.440 4.544 5 40 GJBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1 408624183 BLBWPXCIOUODSL-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB CCc1ccc([C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])c2cccs2)cc1 8062265 IITSWSKDPJSRHV-OAQYLSRUSA-N 396.468 4.503 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(-c2ccc(OC(C)C)cc2)on1 61997130 JHFBFCKJKFZCCV-UHFFFAOYSA-N 381.388 4.598 5 40 GJBB CCCCOc1ccc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 2148753 WRHLIFSPZJETLI-UHFFFAOYSA-N 398.444 4.545 5 40 GJBB O=C1Nc2cc(Cl)ccc2/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 7155745 NEJGSHSOHZYMIT-VZUCSPMQSA-N 379.597 4.503 5 40 GJBB C[C@H]1CCC[C@@H](C)N1c1c(Br)cc([N+](=O)[O-])cc1Br 226316610 GBDXVIUTHMRMOA-DTORHVGOSA-N 392.091 4.887 5 40 GJBB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H]3Cc4ccccc4[C@H]23)cc1 4147001 OGRVBKLJVZWOAQ-VXKWHMMOSA-N 385.423 4.536 5 40 GJBB Cc1csc2nc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cn12 5083637 AEEAMLWDDJIUIH-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB COc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] 6306541 PUGZXSXLJTUZJI-UHFFFAOYSA-N 390.439 4.555 5 40 GJBB CCc1cccc(C)c1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 6543982 SKCAMFYVXNVAOT-UHFFFAOYSA-N 387.486 4.806 5 40 GJBB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 11914558 XBLXRGLGSSBLNM-UHFFFAOYSA-N 382.441 4.577 5 40 GJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@H]1c1ccccn1 55517700 ZHDUFQJCNZYMID-KRWDZBQOSA-N 397.818 4.881 5 40 GJBB CN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 226303131 NXNKXPYZESNYOF-UHFFFAOYSA-N 382.382 4.588 5 40 GJBB COc1ccc(S(=O)(=O)Nc2cc(C)nc3c2ccc2ccccc23)cc1 40384474 JTGCARXLEMZAGF-UHFFFAOYSA-N 378.453 4.506 5 40 GJBB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(Cl)c(Cl)c1 4678649 NJGNFKZVFDUPHQ-UHFFFAOYSA-N 377.231 4.914 5 40 GJBB O=C(Nc1ccccc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 4691095 SZPIGJWSRWGUHA-UHFFFAOYSA-N 387.189 4.870 5 40 GJBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)c1 5051621 VIVIHJZSSZYYIS-UHFFFAOYSA-N 395.422 4.797 5 40 GJBB O=c1cc(CSc2nnc(-c3ccc[nH]3)o2)c2c(ccc3ccccc32)o1 18365259 YBHQHERQUSPMEH-UHFFFAOYSA-N 375.409 4.617 5 40 GJBB O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(-c2nc3ccccc3s2)s1 84504907 GPHHFGLGJWEWNO-UHFFFAOYSA-N 395.465 4.863 5 40 GJBB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 248337494 QBFMQYQOWSTRMA-CJWYXDEFSA-N 378.428 4.898 5 40 GJBB C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H](O)c1c(Cl)cccc1Cl 1651565522 NACDGICOQMUZND-YPMLDQLKSA-N 392.242 4.984 5 40 GJBB O=c1c2cc(Cl)ccc2oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c12 5423641 SQKLGAGNMRSPHZ-UHFFFAOYSA-N 397.770 4.792 5 40 GJBB O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 6526533 RZUBUCFGOVIUIO-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB COc1cc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)ccc1O 6821982 XCTDUTKRHHSSGD-ACCUITESSA-N 385.419 4.859 5 40 GJBB COc1ccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 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O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6591928 XFAISGZGICSQGW-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)ccc1[N+](=O)[O-] 54011231 ZBGVUHHMNNWXJW-UHFFFAOYSA-N 378.432 4.524 5 40 GJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)N[C@@H]1COc2ccccc21 84514578 TZDZZQDCZRTJSV-DPCFLFMUSA-N 392.436 4.586 5 40 GJBB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C(C)C 223264626 BMICWCPFUQRWML-YCABEKBOSA-N 382.460 4.926 5 40 GJBB Cc1cc(C)c(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1C 6260852 OLIWIMKRBWGKAC-UHFFFAOYSA-N 397.456 4.661 5 40 GJBB Cc1cc(C)c2nc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 8428016 JYYCYOBQRJPGTB-UHFFFAOYSA-N 396.472 4.674 5 40 GJBB C[C@@H]1CCCC[C@H]1n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 40398757 QIDPIHPQCICTCR-UZUQRXQVSA-N 399.494 4.511 5 40 GJBB O=[N+]([O-])c1ccc(Cn2c3ccc([N+](=O)[O-])cc3c3cc([N+](=O)[O-])ccc32)cc1 102580014 RMBVQRZMXFZNQO-UHFFFAOYSA-N 392.327 4.567 5 40 GJBB Cc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)ccc1[N+](=O)[O-] 7684916 XOYRBFQFCYIOAX-HNNXBMFYSA-N 381.457 4.533 5 40 GJBB Cc1cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1[N+](=O)[O-] 8904057 MYHQXXCXYZJWRH-UHFFFAOYSA-N 382.416 4.645 5 40 GJBB O=[N+]([O-])c1ccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)cc1 4129808 BMJQPMFDCIYKBD-UHFFFAOYSA-N 382.832 4.744 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccco1)C1=CCCCC1 5087363 KGSAAIPZRNRBHF-UHFFFAOYSA-N 390.823 4.707 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1ccccc1SCC(F)(F)F 24988787 UWTXQHKGBVLVTO-UHFFFAOYSA-N 399.394 4.608 5 40 GJBB CCOc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)cc1 40090742 UYWJTBWHTJKKMT-NRFANRHFSA-N 376.412 4.513 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408622180 ONOMWMSNYPCJEA-UHFFFAOYSA-N 399.859 4.837 5 40 GJBB O=C(O)c1ccccc1[C@H]1Nc2ccc([N+](=O)[O-])cc2[C@H]2c3ccccc3C[C@@H]12 6277039 IXMNKTUICILJED-CEMLEFRQSA-N 386.407 4.764 5 40 GJBB C[C@@H](Nc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9376245 DTTRBDDCQMAIPW-GFCCVEGCSA-N 375.856 4.985 5 40 GJBB Cc1cc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)ccc1[N+](=O)[O-] 12918995 ZWHGRGBRVYHYKD-UHFFFAOYSA-N 393.424 4.703 5 40 GJBB CC(C)[C@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 57580676 OKKHYXRDXGYHAE-SFHVURJKSA-N 396.274 4.827 5 40 GJBB CCCCCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 27016220 MEUSPYMAWZXRSX-AWEZNQCLSA-N 397.686 4.757 5 40 GJBB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 106745773 KPEIFCORZDRUDM-PDGQHHTCSA-N 398.440 4.620 5 40 GJBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408554602 SABZPOYGEFBZSZ-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1 6218286 UKLVTLYODQGJNX-UHFFFAOYSA-N 381.369 4.824 5 40 GJBB CSc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1[N+](=O)[O-] 11073801 SDJJVOAJBKPTNK-UHFFFAOYSA-N 393.468 4.728 5 40 GJBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ncccc12 12633054 HKNZAWFLVWEZJH-QGZVFWFLSA-N 391.427 4.646 5 40 GJBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]1c1nc2ccccc2s1 15539099 DMZPOJKNKGWJDG-CQSZACIVSA-N 387.848 4.835 5 40 GJBB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C(=O)NCc2ccccc2)cc1 2725887 KHLMFVCPPIIIDT-UHFFFAOYSA-N 378.453 4.984 5 40 GJBB Cc1nc(CC(=O)Nc2c3ccccc3n3c(C)nc4ccccc4c23)cs1 23688389 FDJSAZDHIBDCHG-UHFFFAOYSA-N 386.480 4.895 5 40 GJBB Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCCC3)c(-c3ccccc3)nc21 2356902 GGPNYHFZZCRKAO-UHFFFAOYSA-N 399.494 4.811 5 40 GJBB Cc1cccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccccc2)c1 5030943 NUZXXLUOPIIXTL-UHFFFAOYSA-N 394.430 4.527 5 40 GJBB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(C)cc1 6155405 UECAJVUWEXVPTG-CMDGGOBGSA-N 392.249 4.983 5 40 GJBB O=C(O)/C=C\c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 12370929 ZGKNZSRLLAQTFL-WAPJZHGLSA-N 380.219 4.606 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCCCC2)cc1 30945835 FBIQGAXCKNASPL-UHFFFAOYSA-N 387.867 4.877 5 40 GJBB COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])ccc1OC)oc1ccccc12 3664502 PCVVRAJBIYQHTR-UHFFFAOYSA-N 392.367 4.764 5 40 GJBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1[N+](=O)[O-] 72229939 GEFWARBTLLNVSU-IBGZPJMESA-N 382.803 4.582 5 40 GJBB COc1ccccc1OCc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 5704377 YBZZZAFHYXPXPB-UHFFFAOYSA-N 393.395 4.539 5 40 GJBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4ccccc4s3)cc2[N+](=O)[O-])C1 6248316 XZCDERNOPHWZTO-CYBMUJFWSA-N 396.472 4.693 5 40 GJBB COc1ccc2oc(-c3csc(NC(=O)c4cccc([N+](=O)[O-])c4)n3)cc2c1 10882348 ANJVCQANXNPGCE-UHFFFAOYSA-N 395.396 4.725 5 40 GJBB Cc1ccc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)c2n1 72091042 KBXCXSLPZZJSED-UHFFFAOYSA-N 390.443 4.694 5 40 GJBB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 248342377 XZKMHNQLUWIQJD-KVJLAYMPSA-N 392.455 4.986 5 40 GJBB CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1-c1ccc([N+](=O)[O-])cc1 3306097 URGWFGHIGYMDEN-UHFFFAOYSA-N 393.443 4.922 5 40 GJBB COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)C[C@H]1CCCCN1C3 4098776 RSHYSOGXGSUUIJ-OAHLLOKOSA-N 377.484 4.929 5 40 GJBB biogenic,in-vitro CCN(C(=S)NC(=O)c1cccc([N+](=O)[O-])c1C)c1cccc2ccccc12 5691353 RVXWQTLFHJMXAP-UHFFFAOYSA-N 393.468 4.598 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248255494 SBVFBOOYRSILTP-TXGHUNKASA-N 394.427 4.598 5 40 GJBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1csc(-c2cccs2)n1 12810633 QOOBDHUEGQGEED-UHFFFAOYSA-N 393.877 4.705 5 40 GJBB C[C@]12CC3CC(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 100293663 XMJDMPIOPSWRIU-AYVAEDQWSA-N 397.519 4.674 5 40 GJBB Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)oc2cc1C 989616 YPKKWBFKIBXBKY-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)Nc1ccccc1 4246595 WMBBWQGWFVRSLQ-UHFFFAOYSA-N 384.464 4.767 5 40 GJBB NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1cccc(C(F)(F)F)c1 651834 MVJSJDKPITZKCN-QOMWVZHYSA-N 382.341 4.936 5 40 GJBB Cc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1[N+](=O)[O-] 5942736 ADHAPKSMRYSFOO-UHFFFAOYSA-N 394.339 4.823 5 40 GJBB Cc1ccc(-c2noc(-c3ccc(NCc4ccco4)c([N+](=O)[O-])c3)n2)cc1 8587172 FUNUCIUYYAWKRW-UHFFFAOYSA-N 376.372 4.825 5 40 GJBB Cc1cc(N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c(F)cc1[N+](=O)[O-] 1651605590 OWLPWJRNEVVJEP-SNVBAGLBSA-N 376.775 4.919 5 40 GJBB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc([N+](=O)[O-])o1 4194479 NRBOBKWUACGQTQ-UHFFFAOYSA-N 390.229 4.932 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(C(C)(C)C)cc3)nc12 10010541 BAAVYYYBIUMGPI-UHFFFAOYSA-N 385.445 4.763 5 40 GJBB CCCCNc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897778 ZVXFADOVFPGSAN-UHFFFAOYSA-N 398.419 4.541 5 40 GJBB CCOc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 4179191 LEBGZPBDBUGPER-UHFFFAOYSA-N 390.395 4.870 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1csc2c1CCCC2 5014339 ANFMOFISEBYTRS-UHFFFAOYSA-N 381.251 4.550 5 40 GJBB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 1062582 KIIXMXGDXSADSN-UHFFFAOYSA-N 382.445 4.663 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12980415 WTMVUYGCKXATPI-XLNAKTSKSA-N 379.441 4.581 5 40 GJBB O=[N+]([O-])c1ccc(/C=C/c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193951 BGHJKWLQXFNVOB-JXMROGBWSA-N 389.396 4.678 5 40 GJBB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 6602611 LKNVVALXUMSHTN-IERDGZPVSA-N 375.468 4.845 5 40 GJBB CC(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 8054372 JVIMXDDLSFKXKS-UHFFFAOYSA-N 381.457 4.791 5 40 GJBB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 13632913 IVXXEULYZRDPKS-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB O=[N+]([O-])c1cccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)c1 5072598 UFHZITMPYKRVAG-UHFFFAOYSA-N 381.395 4.991 5 40 GJBB CCCOc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)cc1 6779058 PIMQXVIXVJNMCR-UHFFFAOYSA-N 397.456 4.683 5 40 GJBB CCc1ccc(CN(Cc2cccnc2)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 39985763 WXSCBRZDJSFYSD-UHFFFAOYSA-N 390.443 4.787 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc(OC(F)(F)F)cc1 43192556 SWRCBVGEQHZQQY-NSHDSACASA-N 383.326 4.718 5 40 GJBB Cc1ccc([N+](=O)[O-])c(NC(=O)CSC2=Nc3ccccc3CS2)c1C 5325669 NGRCBZSNMOYEQZ-UHFFFAOYSA-N 387.486 4.818 5 40 GJBB Cc1ccc(-c2noc(-c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)cc1 15833773 IXEHNSXBUNVRSZ-OAHLLOKOSA-N 378.432 4.857 5 40 GJBB O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 18194496 LEFBRUHOYCUHCH-UHFFFAOYSA-N 377.425 4.635 5 40 GJBB Cc1cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)ccc1[N+](=O)[O-] 20140941 CJLVSGRMTNKSRB-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB COC(=O)c1cc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2s1 223088477 ACCCFSSFTWJBKM-UHFFFAOYSA-N 390.804 4.502 5 40 GJBB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(=O)O)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248175679 AASHRNXTEZEPOJ-ZPWLUDHSSA-N 394.427 4.598 5 40 GJBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc(C(F)(F)F)c1 11246815 FIFXVDIZNCDJLL-UHFFFAOYSA-N 396.368 4.812 5 40 GJBB O=[N+]([O-])c1ccc(N2CCCCC2)c([C@H]2OCCCN2Cc2ccccc2)c1 59489904 AGTVEJCSONCKON-JOCHJYFZSA-N 381.476 4.506 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 1739282 AUOZWNLTMHLRTG-UHFFFAOYSA-N 395.651 4.664 5 40 GJBB O=C(OCc1cccc([N+](=O)[O-])c1)c1c2c(nc3ccccc13)CCCCC2 3282912 OJRYGPPBUZXXCF-UHFFFAOYSA-N 376.412 4.769 5 40 GJBB CCc1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 5478064 CNDPISNCGCHKFS-UHFFFAOYSA-N 384.439 4.623 5 40 GJBB O=C(COc1ccccc1F)Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1 6661103 LLBHVPKEKZKFAJ-UHFFFAOYSA-N 397.789 4.756 5 40 GJBB COc1ccc(-c2csc(SCC(=O)c3cc([N+](=O)[O-])cs3)n2)cc1 12173019 WWGDRWBJNRQEPA-UHFFFAOYSA-N 392.483 4.763 5 40 GJBB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1 13004603 GFONPBNXPWBQKX-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB O=C(c1cccc([N+](=O)[O-])c1)c1c(-c2cccc([N+](=O)[O-])c2)cc2ccccn12 26779899 DMEPXLKATXSUAB-UHFFFAOYSA-N 387.351 4.654 5 40 GJBB CCN(Cc1ccc(Cl)s1)C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 26856801 TXSMQLNIQQFCBJ-NSHDSACASA-N 384.910 4.839 5 40 GJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1[N+](=O)[O-] 408993041 BPDNQPLLFFNOIT-HKYMTKPZSA-N 394.427 4.598 5 40 GJBB Cc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1I 226248256 BHKUKBYQMWTSPT-UHFFFAOYSA-N 394.168 4.624 5 40 GJBB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(/C=C/c2ccc([N+](=O)[O-])o2)cc1 3163623 WBEBPKQYUSPREX-XJZNFUNPSA-N 386.363 4.703 5 40 GJBB CCCCc1ccc2nc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 6241045 NLTYXKIXRRYZER-UHFFFAOYSA-N 385.445 4.808 5 40 GJBB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 8586635 NQVCLJXGOREESA-UHFFFAOYSA-N 382.441 4.577 5 40 GJBB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl 10899274 ITQIIEFYEUNYFB-UHFFFAOYSA-N 387.867 4.511 5 40 GJBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Oc2ccncc2)cc1 50490712 ZINNHRFYIWVYIX-AWEZNQCLSA-N 395.440 4.901 5 40 GJBB COc1cc(-c2nc3ccc([N+](=O)[O-])cc3n2-c2cccc(Cl)c2)ccc1O 1439911 DWDLYMHJFWIDSU-UHFFFAOYSA-N 395.802 4.968 5 40 GJBB Cc1ccc2cc(C)c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc2c1 4126497 HGWIPGZBZWHPRA-UHFFFAOYSA-N 381.457 4.799 5 40 GJBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC1CCCCCCC1 7778204 DOCNFGOIMSFZDF-UHFFFAOYSA-N 379.507 4.526 5 40 GJBB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 13810321 CGIOTFYGCQOTTI-CCEZHUSRSA-N 383.407 4.773 5 40 GJBB Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n1c3ccccc3nc21 5246727 HJDKSNQHQQXDMN-UHFFFAOYSA-N 382.448 4.616 5 40 GJBB CCc1cccc(CC)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12516865 DBVGUSFFSXYMND-UHFFFAOYSA-N 381.476 4.575 5 40 GJBB CCCCOc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)no2)cc1 61997104 LRKMJUUASDJRAA-UHFFFAOYSA-N 395.415 4.989 5 40 GJBB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225089998 DXRLMJNORNFXPP-UHFFFAOYSA-N 396.468 4.785 5 40 GJBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccccc1 2253302 WLALZQGVWBXOLK-UHFFFAOYSA-N 395.466 4.707 5 40 GJBB CCCCn1c(-c2ccccc2F)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 2441294 KJVBQALSEYCJPB-UHFFFAOYSA-N 398.821 4.763 5 40 GJBB COc1ccc(-c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1OC 8744582 BUTWGPZCAMYYHL-LLVKDONJSA-N 387.417 4.515 5 40 GJBB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccc([N+](=O)[O-])cc1 820178 YCJNOMDZRLLWKJ-UHFFFAOYSA-N 390.606 4.677 5 40 GJBB Cc1cc(N2CC[C@H](C)C[C@@H]2c2ccco2)nc(-c2cccc([N+](=O)[O-])c2)n1 89600673 YXMCXUFXDRFOAV-KBXCAEBGSA-N 378.432 4.931 5 40 GJBB CC(C)n1ncc2c(-c3ccc(C(=O)O)cc3)c3oc4cc(O)ccc4c3nc21 96115248 RJPPHNNKZUDHCL-UHFFFAOYSA-N 387.395 4.982 5 40 GJBB biogenic O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 4032353 XRCWCAYQOHZJBZ-SDNWHVSQSA-N 384.395 4.790 5 40 GJBB O=C(NCCCNc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl 4740939 OSMCKAJYBXHMIX-UHFFFAOYSA-N 389.864 4.695 5 40 GJBB Cc1nc2ccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2s1 25425805 QSSQGWIUSYNXHZ-SECBINFHSA-N 390.852 4.605 5 40 GJBB O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H]1c1ccsc1 50315425 FYFOHIDEIANYPU-INIZCTEOSA-N 385.470 4.757 5 40 GJBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 408562716 RRFIKXXDTQTTNS-DQRAZIAOSA-N 395.484 4.811 5 40 GJBB O=C1OC(c2ccc([N+](=O)[O-])cc2Cl)=N/C1=C\c1ccc2ccccc2c1 728493 WNPPPWUEDCCKLD-ZDLGFXPLSA-N 378.771 4.746 5 40 GJBB Cc1ccc([N+](=O)[O-])c(OCC(=O)N(C)C(c2ccccc2)c2ccccc2)c1 24542560 GREVAPLATMTCGW-UHFFFAOYSA-N 390.439 4.530 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2F)cc1 5053737 ILVZZRQRXKLDRW-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB Cc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)cc1 5091431 MDNZIGGNCAYFHO-UHFFFAOYSA-N 395.422 4.911 5 40 GJBB COc1cccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)c1 38311714 XBWIRMHRZPPXPP-UHFFFAOYSA-N 383.411 4.917 5 40 GJBB CC[C@@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C 2405672 AYBWXTKKVNWWIB-MRXNPFEDSA-N 397.482 4.871 5 40 GJBB CCC[N+](CC)(CC)CCCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 4833250 UKZBSVJBHQLXMK-DEOSSOPVSA-N 390.588 4.654 5 40 GJBB O=C(OCc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2)nc1-c1ccccc1 6598173 PSIPOCFHFSYWGD-UHFFFAOYSA-N 399.406 4.805 5 40 GJBB CSc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 12586022 XSKAAMOBXCUNJF-UHFFFAOYSA-N 385.489 4.805 5 40 GJBB CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCC 936404 ATBMAGZFCWLNOE-UXBLZVDNSA-N 390.823 4.698 5 40 GJBB Cc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(C)cc3)c2C)cc1 2733576 PEUGGQHTFZGVSO-UHFFFAOYSA-N 387.443 4.753 5 40 GJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@@H]32)c1 408988623 FCIYTMMCQRATJY-BVSLBCMMSA-N 387.395 4.974 5 40 GJBB C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 6328490 FQIOKMQSTOHOQO-LRYXAPPNSA-N 397.519 4.530 5 40 GJBB Cc1cccc(CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 6478660 JRHMULAEYAVICJ-SXGWCWSVSA-N 388.832 4.793 5 40 GJBB O[C@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccccc2)CCCC1 36631463 GTRCMRDLVDZEKQ-VWLOTQADSA-N 388.531 4.904 5 40 GJBB CCOc1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 4072626 ZOUBTSUFEQXTRD-UHFFFAOYSA-N 377.809 4.509 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3)nc12 4070151 ICIAHXFCOPIEOU-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB Cc1cc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)ccc1[N+](=O)[O-] 96194155 AMYKVUMCPZNTHA-UHFFFAOYSA-N 391.412 4.791 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408619599 JVEHHNIBUWFTHF-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 9295466 FTNXZAHXRJWJDH-UXBLZVDNSA-N 384.363 4.788 5 40 GJBB Cc1nc2c(C(=O)c3ccccc3)n3ccccc3c2c2nc3ccccc3n12 31848407 AHNQWVJZOOJUNC-UHFFFAOYSA-N 376.419 4.828 5 40 GJBB O=[N+]([O-])c1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)cc1 33435661 FNGIGYHIWHJLBR-UHFFFAOYSA-N 394.378 4.802 5 40 GJBB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3145120 VAEOUFWPWKEXBT-UHFFFAOYSA-N 390.566 4.716 5 40 GJBB Cc1cccc(C(C)C)c1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12511636 HSENDMMGVIPRSW-UHFFFAOYSA-N 381.476 4.882 5 40 GJBB Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2cccnc12 24982701 RKABLSOFQDOTNY-UHFFFAOYSA-N 393.446 4.650 5 40 GJBB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 14376419 WONQDVTXJDJZJU-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N(C)c2ccccc2)cc1 32642590 PSSGIBGSCLEIBV-UHFFFAOYSA-N 378.384 4.672 5 40 GJBB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 223140641 NTPXPMPPRDZJCM-IBGZPJMESA-N 388.851 4.923 5 40 GJBB O=C(Nc1ccc2c(=O)c3ccccc3oc2c1)c1ccc(Br)cc1 6660780 SRBGUEUQEMDUHB-UHFFFAOYSA-N 394.224 4.961 5 40 GJBB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 8986708 SPFPEYGVDKSFSV-UHFFFAOYSA-N 384.395 4.700 5 40 GJBB CC(=O)N1CCc2cc(Nc3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])ccc21 22803372 NFCIMWQKBGVJPZ-UHFFFAOYSA-N 399.756 4.920 5 40 GJBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 409333319 JKUOKQCEKZZTNR-DJWKRKHSSA-N 394.170 4.533 5 40 GJBB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 835929 WUSNTIRSUJRKDY-KPKJPENVSA-N 378.428 4.845 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2ccc(-c3ccccc3F)o2)c(Cl)c1 7524321 XAXMRVPZDNYZCZ-UHFFFAOYSA-N 389.814 4.849 5 40 GJBB CCOc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OCC 3430896 KODKXMIHFBGYML-LBPRGKRZSA-N 392.839 4.537 5 40 GJBB C[C@@H](NC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 84656307 GHBZEVOTFGWURQ-CXAGYDPISA-N 396.472 4.812 5 40 GJBB COc1ccc2nc3cc(Cl)ccc3c(NCCCCN3CCCC3)c2n1 1558198 IBTYOLZIGSJVGW-UHFFFAOYSA-N 384.911 4.733 5 40 GJBB Cc1nc2c(c(=O)n1CC(C)C)c1nc3ccccc3nc1n2C1CCCCC1 2250873 STKVHVMXOYFKDL-UHFFFAOYSA-N 389.503 4.764 5 40 GJBB Cc1cc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2c(C)cccc12 3381767 GJGFVXOSILKFMH-UHFFFAOYSA-N 382.441 4.919 5 40 GJBB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C 6922142 QCPRBBWNYXYZGH-ZZXKWVIFSA-N 381.215 4.871 5 40 GJBB O=C(CCSc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4079320 OOWOLNWVSIRWSE-UHFFFAOYSA-N 385.470 4.839 5 40 GJBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 3109390 RLNNLVICCULTQN-UHFFFAOYSA-N 395.396 4.907 5 40 GJBB O=C(OCc1cc2ccccc2nc1Cl)c1cc([N+](=O)[O-])ccc1Cl 20822409 HZOHXTZWEKVMHL-UHFFFAOYSA-N 377.183 4.807 5 40 GJBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 95961607 QQTVOWWHPVBJSR-GOSISDBHSA-N 392.377 4.910 5 40 GJBB CCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1=C(O)CC(C)(C)CC1=N2 102664929 APKJKYYQRLMXLH-MRXNPFEDSA-N 399.476 4.606 5 40 GJBB O=[N+]([O-])c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)s1 670859 MRNCMPNIQHLSNF-OXJNMPFZSA-N 377.425 4.899 5 40 GJBB CCOC(=O)/C=C/c1cc(Br)c(-c2cc([N+](=O)[O-])ccc2C)o1 57351236 QYAMWSAZDGOTLF-VOTSOKGWSA-N 380.194 4.502 5 40 GJBB COc1cccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)c1 2209381 SCIBZSBKOKGSQZ-UHFFFAOYSA-N 380.381 4.500 5 40 GJBB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 6478827 YMZIYEDIKUTVGR-NRFANRHFSA-N 375.380 4.684 5 40 GJBB CC(=O)c1ccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)cc1 3252233 WMWBJUXVZLBIHH-UHFFFAOYSA-N 397.430 4.991 5 40 GJBB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 5918387 NXVDVVVLHJPAMO-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB Cc1ccc(OCc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 6479727 MKEMAKCUVRJOAK-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB Cc1cc(C)c(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 12797562 ZYONRQNJRWWJDD-MRXNPFEDSA-N 378.428 4.621 5 40 GJBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)OCO2 408605481 JAHKVTCMWKPXEE-UHFFFAOYSA-N 394.408 4.727 5 40 GJBB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1C 22246057 ANGNWJPFBLUHCD-UHFFFAOYSA-N 386.408 4.803 5 40 GJBB Cc1cccc(-n2c(C)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409099997 OYOSSLZWGORNEF-UHFFFAOYSA-N 394.378 4.962 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 4034032 OOTYXLRETCXESE-CSKARUKUSA-N 390.424 4.852 5 40 GJBB Cc1ccc(N2C(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3)c3ccccc3C2=O)cc1 8507841 VJBFZPDMVCJVIQ-STZFKDTASA-N 399.406 4.543 5 40 GJBB O=[N+]([O-])c1ccccc1N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 12515257 YDPWIWJIRDKXPP-UHFFFAOYSA-N 384.823 4.682 5 40 GJBB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 20493686 PCMKLIDRSCKCCS-GOSISDBHSA-N 376.840 4.774 5 40 GJBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 28289245 OXKCAMMVDXPMDC-HXUWFJFHSA-N 391.452 4.999 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NC[C@@H](O)c1ccccc1F 58745470 SRRLGRSNKWPYHV-CQSZACIVSA-N 378.709 4.552 5 40 GJBB O=C(Nc1ccccc1)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 2065145 OUWMFZWUTNCYQB-UHFFFAOYSA-N 389.414 4.844 5 40 GJBB O=C(CSc1nc2ccccc2s1)Nc1cc([N+](=O)[O-])ccc1Cl 6890686 FGGLRXQNDFWFQD-UHFFFAOYSA-N 379.850 4.589 5 40 GJBB Cn1ccnc1[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 12534915 MYTKGMJLOJYPJF-INIZCTEOSA-N 377.231 4.837 5 40 GJBB O=C1OC(c2ccccc2[N+](=O)[O-])=N/C1=C\c1ccc(-c2ccccc2Cl)o1 1440529 BNHNTOSYWMSXDH-WJDWOHSUSA-N 394.770 4.853 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC(C)C)cnc21 2343751 QMNKOBYHSJEZBA-UHFFFAOYSA-N 391.519 4.921 5 40 GJBB Cc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 4954632 HJBFJEPSRRFECL-UHFFFAOYSA-N 390.830 4.991 5 40 GJBB COc1ccc(-c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)cc1OC 8744581 BUTWGPZCAMYYHL-NSHDSACASA-N 387.417 4.515 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c(C)c1 2407385 YMXGNTQJCDBMAD-INIZCTEOSA-N 397.482 4.871 5 40 GJBB Cc1cccc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c1[N+](=O)[O-] 5227994 WCIKZRIYDMKEHX-UHFFFAOYSA-N 398.459 4.946 5 40 GJBB CSc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1[N+](=O)[O-] 6083345 TYDJIJSAYMQXGP-UHFFFAOYSA-N 388.779 4.824 5 40 GJBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 6243470 UKCBDJQSGYRHBM-NSHDSACASA-N 391.880 4.889 5 40 GJBB O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1Cc1ccccc1 40398754 YOJJJSPBJYNMHW-UHFFFAOYSA-N 399.494 4.655 5 40 GJBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1C 5156796 FZJBYBUSKMOJGL-UHFFFAOYSA-N 384.827 4.724 5 40 GJBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(CN2CCCCC2)cc1 17081796 HFODKHCSUNENMT-YRNVUSSQSA-N 399.878 4.886 5 40 GJBB CC(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 27664109 PYYMMFAHUNCKID-UHFFFAOYSA-N 375.428 4.960 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 989924 YROMVRSKSQJAMU-PXAZEXFGSA-N 385.489 4.661 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)o1 226768560 KHKOYTFNYQYMIL-UHFFFAOYSA-N 388.379 4.927 5 40 GJBB CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 408620425 IUCCESXKWYXTJN-UHFFFAOYSA-N 395.440 4.544 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3c4ccccc4C[C@H]23)cc1 409000234 NAIPVNJRWRTNCJ-NNWRFLSQSA-N 387.395 4.974 5 40 GJBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc12 14131997 HPWQDDLOXHUOOD-XDHOZWIPSA-N 390.420 4.985 5 40 GJBB CCc1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Br)c3)oc12 73642669 JUZWPHZOIXDBMK-UHFFFAOYSA-N 377.194 4.737 5 40 GJBB CC(C)CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 945262 OIOVPDDPKUSADZ-UHFFFAOYSA-N 390.823 4.703 5 40 GJBB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 106728245 LCMGKSXMQHKFDU-WQRHYEAKSA-N 398.440 4.619 5 40 GJBB CCN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 226303122 NGMOXECMZLCOPF-UHFFFAOYSA-N 396.409 4.978 5 40 GJBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Nc1cccc2ccccc12 5022058 SIYXJJUCUIHFKH-UHFFFAOYSA-N 396.346 4.785 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33407545 MSGGQSKKPUVALJ-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB Cc1nn2c(N)c(-c3ccc([N+](=O)[O-])cc3)cnc2c1-c1ccc(Cl)cc1 40385267 CFVNFNPXRHHBIO-UHFFFAOYSA-N 379.807 4.516 5 40 GJBB O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(F)cc1F 95953286 IBRIWAZEHBHQIC-UHFFFAOYSA-N 392.745 4.966 5 40 GJBB CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 223018562 DPJZWBDPIXEPHL-NRFANRHFSA-N 398.528 4.974 5 40 GJBB CCOP(=O)(OCC)[C@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 2270662 MVAYPTGJTOPCSH-SFHVURJKSA-N 394.364 4.980 5 40 GJBB Cc1ccc(P(=Nc2ccc([N+](=O)[O-])cc2)(N2CCCC2)N2CCCC2)o1 5444623 ZUSNNMSBPAHNGB-UHFFFAOYSA-N 388.408 4.676 5 40 GJBB Cc1c(NCc2nc(-c3cccc(C(F)(F)F)c3)no2)cccc1[N+](=O)[O-] 11260095 LGKHZLOMULBXOW-UHFFFAOYSA-N 378.310 4.584 5 40 GJBB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408702981 LKQWJKBWGYMDFJ-LBPRGKRZSA-N 376.840 4.952 5 40 GJBB O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 3105637 WQVICKNVKKTNNT-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccc(Cl)cc1[N+](=O)[O-] 3363463 BKVMMXGVXLPBRE-UHFFFAOYSA-N 387.726 4.528 5 40 GJBB O=C(Nc1ccc(Cl)cc1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 7239072 GIMOCUKGEHWVCH-UHFFFAOYSA-N 377.803 4.630 5 40 GJBB O[C@H](COCCC12CC3CC(CC(C3)C1)C2)C[N+]1(Cc2ccccc2)CCCC1 36640183 SVEUJOQBDGLDIX-AVZNFENQSA-N 398.611 4.781 5 40 GJBB O=[N+]([O-])c1cc(-c2n[nH]c(COc3cccc(Cl)c3Cl)n2)ccc1Cl 40169693 PLVPJNREESBEDK-UHFFFAOYSA-N 399.621 4.919 5 40 GJBB O=C1/C(=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)N=C2CCCCCN12 96833586 WNROHZMQDTYBDE-SFQUDFHCSA-N 395.390 4.682 5 40 GJBB O=C(NCCc1ccc(F)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 223425263 NOMXBRUTRJZKFG-CJLVFECKSA-N 390.414 4.633 5 40 GJBB O=c1c2c3nc4ccccc4nc3n(C3CCCCC3)c2ncn1-c1ccccc1 5234798 KOELJVNMFROOPH-UHFFFAOYSA-N 395.466 4.789 5 40 GJBB O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1)Nc1ccccc1 7978581 ZKLWCKBCDKCFCA-UHFFFAOYSA-N 380.379 4.528 5 40 GJBB COc1c(Cl)cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Cl 17081408 ICFGSGMSWVSVMZ-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB COc1cc2nc3ccc(NC(=S)Nc4ccccc4)cc3nc2cc1OC 408994474 HUACUFPGFMYRII-UHFFFAOYSA-N 390.468 4.609 5 40 GJBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl 1416445 MEVAFMMIEPQFPW-OVCLIPMQSA-N 392.795 4.624 5 40 GJBB Cc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1 408572681 RSZUHOZMVMHNDO-KRWDZBQOSA-N 388.880 4.648 5 40 GJBB O=c1sc(-c2ccccc2)nc(Nc2ccc3ccccc3c2)c1[N+](=O)[O-] 408733521 YWSPEBFQTZVXOB-UHFFFAOYSA-N 375.409 4.975 5 40 GJBB O=c1c2ccccc2sc2nc(-c3ccccc3)n(Cc3ccccc3)c(=O)c12 2350431 MVRYLYGASUNFTM-UHFFFAOYSA-N 396.471 4.687 5 40 GJBB O=c1c2cc(Cl)ccc2[nH]c2cc3c(=O)c4cc(Cl)ccc4[nH]c3cc12 5425425 XPZQBGDNVOHQIS-UHFFFAOYSA-N 381.218 4.983 5 40 GJBB in-vitro Cc1c(C(=O)NC(=S)N(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] 5986560 GNSHZJPJDSYUMR-UHFFFAOYSA-N 391.452 4.756 5 40 GJBB O=C(Nc1ccc2c(=O)c3cccc(Cl)c3oc2c1)c1cccc([N+](=O)[O-])c1 6660401 XHUYXATZZYFPFH-UHFFFAOYSA-N 394.770 4.760 5 40 GJBB COc1ccc(C(=O)c2ccc(Br)c([N+](=O)[O-])c2)c2ccccc12 2274592 SVZRUQAZFNTMDV-UHFFFAOYSA-N 386.201 4.750 5 40 GJBB Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c(C)c1 5072436 BFDJGZRYYPAZFT-DHZHZOJOSA-N 387.395 4.674 5 40 GJBB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 106743211 JPWXVLDXWQUCMB-WQRHYEAKSA-N 398.440 4.619 5 40 GJBB O=[N+]([O-])c1ccc(N2COc3ccc4ccccc4c3C2)c(Br)c1 4133241 GPYOLJKCHNUTSS-UHFFFAOYSA-N 385.217 4.867 5 40 GJBB O=C(Oc1ccc(Br)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 6602510 MXUBZOQTAOETSF-UHFFFAOYSA-N 391.004 4.883 5 40 GJBB COc1cccc(Oc2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1 8051492 VCFLHKOHENFMFL-UHFFFAOYSA-N 378.384 4.577 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CC[C@@H](Nc2ccccc2)C1 58265498 FJEHYSBQJCFEIQ-GFCCVEGCSA-N 385.773 4.958 5 40 GJBB COc1ccccc1-c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 8586809 FMNIRNPPRKQWJR-UHFFFAOYSA-N 394.431 4.557 5 40 GJBB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2cc3ccccc3nc2c1 409188753 GCPCJZMLSDSWQE-UHFFFAOYSA-N 387.464 4.603 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccccc2F)o1 12776607 MGWHWHHJJXXSGN-CQSZACIVSA-N 397.406 4.541 5 40 GJBB O=C(Cc1coc2ccc3ccccc3c12)Nc1cc([N+](=O)[O-])c(F)cc1F 84598184 SPLACYYPVWLVIA-UHFFFAOYSA-N 382.322 4.954 5 40 GJBB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248255496 SBVFBOOYRSILTP-UVPINQTDSA-N 394.427 4.598 5 40 GJBB CCCCOc1ccc(OC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 3064771 FHKPWELOJHSBLS-UHFFFAOYSA-N 394.221 4.755 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 12777470 KZOLKGJQBBRDJS-CQSZACIVSA-N 397.406 4.541 5 40 GJBB Cc1ccc(-c2cc(C)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 409384803 DHHDOTCYMBMIPM-UHFFFAOYSA-N 379.441 4.644 5 40 GJBB O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N1CCc2ccccc2C1 408923398 XCCSGHDCBWNQPT-XQNSMLJCSA-N 384.435 4.720 5 40 GJBB O=C(NCCSCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl 7240024 ZZNFXVNLTANASQ-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB COc1ccccc1CNc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-] 8586905 SGJWKUJHZZWSFX-UHFFFAOYSA-N 392.371 4.526 5 40 GJBB Cc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)cc1[N+](=O)[O-] 12918982 VJMWZIYFYZRKTF-UHFFFAOYSA-N 393.424 4.703 5 40 GJBB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNCc1cccc([N+](=O)[O-])c1 19848707 AEGHPDOHLIEGAK-UHFFFAOYSA-N 393.365 4.615 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(CCc1ccccc1F)CO2 19890897 QQMBFSKHRUMBTD-UHFFFAOYSA-N 389.426 4.788 5 40 GJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)NC(c1ccccc1)c1ccccc1 408563390 MGRSYCUIOFYEQF-UHFFFAOYSA-N 392.480 4.734 5 40 GJBB CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 408571279 ODWNMUQOJQEFAV-MRXNPFEDSA-N 389.249 4.738 5 40 GJBB Cc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1[N+](=O)[O-] 4472935 UZIVUMQBTVNMIE-NSIKDUERSA-N 377.183 4.555 5 40 GJBB CC(=O)Oc1cn(CCCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 13211617 RKWUEPKUGZRVBS-UHFFFAOYSA-N 398.466 4.704 5 40 GJBB CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835562 XFNNZVHLPCFHJN-HXUWFJFHSA-N 391.452 4.999 5 40 GJBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@@]13C[C@@H]4C[C@@H](C[C@@](Cl)(C4)C1)C3)CCC2 217395631 KBOAUZXZOYOMEX-MQHPQMFLSA-N 380.980 4.517 5 40 GJBB Cc1ccc2nc(COC(=O)c3c4ccccc4cc4ccccc34)cc(=O)n2c1 5186354 QXPTUVANMHDPGI-UHFFFAOYSA-N 394.430 4.666 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 8562743 FPDIVYSKUPCTRG-HNNXBMFYSA-N 392.411 4.676 5 40 GJBB Cc1ccc(C(=O)O)cc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139597 LYMWDXQPPMQFLD-UHFFFAOYSA-N 390.804 4.722 5 40 GJBB Cc1ccnc([C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C2CC2)n1 89701895 UUYGYZXEDFLXMV-CQSZACIVSA-N 386.761 4.929 5 40 GJBB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C(C)C 223264497 ARXKXSCJFXXHHU-ZNFPLGDCSA-N 382.460 4.926 5 40 GJBB O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)c1ccccc1Cl 4387757 BHHBWZDCSSNPSI-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB CCn1c(-c2ccccc2)c(C(=O)Cn2c([N+](=O)[O-])cnc2C)c2ccccc21 65694146 DTRPAUZKQRMFHW-UHFFFAOYSA-N 388.427 4.624 5 40 GJBB Cc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1[N+](=O)[O-] 409126048 APIJQGPXSVEMRU-QGOAFFKASA-N 382.441 4.572 5 40 GJBB CCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1 2284666 KZJQIHUVVDPQSC-UHFFFAOYSA-N 397.482 4.701 5 40 GJBB O=C(CCc1ccccc1)Nc1cc(-c2cccc([N+](=O)[O-])c2)sc1C(=O)O 14070212 LEKCFHFURHUHRZ-UHFFFAOYSA-N 396.424 4.593 5 40 GJBB Cc1noc(/C=C/c2ccc(OCC(C)C)c(Br)c2)c1[N+](=O)[O-] 408602550 CKAJKRZVCUWBJC-FNORWQNLSA-N 381.226 4.859 5 40 GJBB O=c1[nH]c2c(s1)[C@@H](/C=C/c1ccccc1[N+](=O)[O-])[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872380 SGYWDQXTPZOBCU-ZEDPFHOKSA-N 386.498 4.662 5 40 GJBB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408560558 DGEQVTLZWNUZOQ-DQRAZIAOSA-N 395.484 4.811 5 40 GJBB Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)nc2c1c(=O)oc1ccccc12 4108222 NZBUMQSXFOAUMR-UHFFFAOYSA-N 398.340 4.921 5 40 GJBB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 44844555 ODHIJFQBUIBLOD-MRXNPFEDSA-N 380.853 4.766 5 40 GJBB CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1 408565211 BHSGOBATOVJMBD-LJQANCHMSA-N 382.489 4.557 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 7003204 KUUGHEAEGHQRHU-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB CCCCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 12523000 KRRIBJTWNVAPIN-UHFFFAOYSA-N 384.479 4.988 5 40 GJBB CCCOc1ccc(/C=C/C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1OCC 32954741 BJNGZUCPYWLFNU-XYOKQWHBSA-N 385.416 4.539 5 40 GJBB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(C(=O)O)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 248337496 QBFMQYQOWSTRMA-OSEOCOMQSA-N 378.428 4.898 5 40 GJBB CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 408560162 CHAMVEBOXKRCSA-DQRAZIAOSA-N 395.484 4.757 5 40 GJBB CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1859397 FRHJAKGVAVKTRZ-UHFFFAOYSA-N 385.416 4.594 5 40 GJBB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1 14291406 CMWCHWQALWQJJQ-UHFFFAOYSA-N 394.383 4.592 5 40 GJBB O=[N+]([O-])c1ccc(Br)c(OCc2ccccc2C(F)(F)F)c1 36719644 IPVCOPRFRIWHJS-UHFFFAOYSA-N 376.128 4.955 5 40 GJBB O=C(Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Cl 72229256 FYVPRRIVKSUFEP-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB O=[N+]([O-])c1ccc(C2N(c3ccc(F)cc3)CCN2c2ccc(F)cc2)cc1 2311423 RAUYTKLPLZUYNO-UHFFFAOYSA-N 381.382 4.898 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 3202721 VAQAKIJGBFVYRJ-UHFFFAOYSA-N 379.328 4.548 5 40 GJBB S=C(Nc1ccc2[nH]c3nc4ccccc4nc3c2c1)N1CCCCCC1 104389725 PJJRGPDEDDFMFD-UHFFFAOYSA-N 375.501 4.837 5 40 GJBB COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(C)c2[N+](=O)[O-])cc1 5394428 OPTHANNVZALCJE-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB CN(C)c1cccc2sc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc12 1521923425 YDSFGQDQYIUOTF-UHFFFAOYSA-N 375.837 4.781 5 40 GJBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 3163492 VUXWBTGGNSFMKX-AWEZNQCLSA-N 391.383 4.661 5 40 GJBB O=C(NCc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 3429732 DHHSVOWNVWUSDE-UHFFFAOYSA-N 382.416 4.815 5 40 GJBB Cc1cccc(-c2noc(-c3ccc(NCc4cccnc4)c([N+](=O)[O-])c3)n2)c1 8587143 IFVDDOIVZCTIPQ-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(Cc1ccco1)C1=CCCCC1 16695791 HXQSQVDHMJVGOF-QGZVFWFLSA-N 397.475 4.667 5 40 GJBB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c12 40130864 OKIZEMYVCRXOGZ-UHFFFAOYSA-N 380.404 4.522 5 40 GJBB Cc1nnc(S[C@@H](C[N+](=O)[O-])c2cccc3ccccc23)n1-c1ccccc1 408564969 AVCVZVCWBKBGGP-FQEVSTJZSA-N 390.468 4.839 5 40 GJBB CC(=O)c1c(C)nc2sc3c(ncn4ncnc34)c2c1-c1ccc(Cl)cc1 643095 DVFIZYJEONYROL-UHFFFAOYSA-N 393.859 4.719 5 40 GJBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 3163493 VUXWBTGGNSFMKX-CQSZACIVSA-N 391.383 4.661 5 40 GJBB COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c([N+](=O)[O-])c1 5034802 ASTPYPJGRFDDDD-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)n2C(C)C)cc1 6257269 POSXDAMQEFPSOK-UHFFFAOYSA-N 384.461 4.735 5 40 GJBB CSc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 10898868 XQDYHOIXRRMURA-UHFFFAOYSA-N 399.516 4.579 5 40 GJBB CCCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 15790704 ZFLBHEGKRAKTNN-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224787585 VXXDPOJZULZNAK-UHFFFAOYSA-N 396.468 4.785 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 408996701 MQEBVWFJRVYQIH-BVSLBCMMSA-N 386.407 4.764 5 40 GJBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl 6925645 NZYJUAIPUHZZPK-OVCLIPMQSA-N 392.795 4.624 5 40 GJBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ncccc12 12633056 HKNZAWFLVWEZJH-KRWDZBQOSA-N 391.427 4.646 5 40 GJBB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 3292379 AQDDBZIAEXWRPW-GFCCVEGCSA-N 390.823 4.557 5 40 GJBB COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1Cl 5279632 QVAXMJPCXWZADY-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB COc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1[N+](=O)[O-] 5703668 LSOZMWXHKGHULR-ZZXKWVIFSA-N 397.214 4.571 5 40 GJBB COc1cc(OC)cc(-c2nnc(S[C@H](C)c3cccc([N+](=O)[O-])c3)o2)c1 7301951 KWNSTOLGCNDSTK-LLVKDONJSA-N 387.417 4.515 5 40 GJBB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 8782395 UHVIGTYKULLTLR-UHFFFAOYSA-N 389.839 4.875 5 40 GJBB CC(C)Oc1ccc(-c2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 16844951 NQGOZHQAZBJQHC-UHFFFAOYSA-N 383.429 4.758 5 40 GJBB CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCC 408543603 PFWFYYUCEPDLLO-SREVYHEPSA-N 397.225 4.622 5 40 GJBB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 4826106 GKIRACIHGNDGJX-VIFPVBQESA-N 393.877 4.977 5 40 GJBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 20141099 QNTGUQNOEDRWOR-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB CC1CCN(c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[N+](=O)[O-])CC1 32841988 CLJGYFVCAVROGB-OAHLLOKOSA-N 387.505 4.726 5 40 GJBB CCc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1 408571380 OOADPHZDUCIDTG-LJQANCHMSA-N 382.489 4.557 5 40 GJBB Cc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])cc1C 5033770 PEDYQLLRLWAHIX-UHFFFAOYSA-N 381.436 4.728 5 40 GJBB Cc1ccc(C)c(-c2ccc(OC(=O)c3cc([N+](=O)[O-])ccc3Cl)nn2)c1 408526968 CSSUWYZXSMJSJU-UHFFFAOYSA-N 383.791 4.541 5 40 GJBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccc(Br)cc3)no2)c1 89262476 OMHHZXAVHZLEBB-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1nc2ccccc2c2ccccc12 6590864 JOTBMGIKXKMLQF-HAHDFKILSA-N 396.446 4.608 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1[N+](=O)[O-] 20140994 ZJWLQSRCCYEVDQ-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB CCOC(=O)c1cc2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2s1 40082321 IDBIICFYOUOVMI-UHFFFAOYSA-N 384.413 4.547 5 40 GJBB Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Cl)cc1)=N2 4954630 SNXZLBFXTSSNQX-UHFFFAOYSA-N 390.830 4.991 5 40 GJBB O=[N+]([O-])c1ccc(Br)c(OCc2cccc(C(F)(F)F)c2)c1 36719645 HGJOAXYBRAASFH-UHFFFAOYSA-N 376.128 4.955 5 40 GJBB COc1cc2c3c(c4ccc(OC)c(OC)c4c2cc1OC)CN1CCC[C@H]1C3 608124 YFEPHJVWLFGWKH-AWEZNQCLSA-N 393.483 4.548 5 40 GJBB biogenic,in-vitro Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)OCc1ccccc1 1395826 GYBDNSVXSOSJKZ-UHFFFAOYSA-N 379.799 4.660 5 40 GJBB COc1ccccc1-c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 4031469 QDCKUODNZKNGGB-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB Cc1cc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)ccc1[N+](=O)[O-] 5083743 PBBMMWDEHJDLGW-UHFFFAOYSA-N 392.440 4.840 5 40 GJBB Cc1cc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C 8051799 DTDILNQBPAFLBM-UHFFFAOYSA-N 381.457 4.954 5 40 GJBB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 85412042 DYZUKFWUXSLSEX-KRWDZBQOSA-N 386.477 4.866 5 40 GJBB CN(c1c(Br)cc([N+](=O)[O-])cc1Br)C1CCCCC1 226316889 IAPXYYYSIRDEIU-UHFFFAOYSA-N 392.091 4.889 5 40 GJBB Cc1cccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)c1C 820913 CEILCNOPUOGYTE-UHFFFAOYSA-N 388.379 4.805 5 40 GJBB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccccc2[N+](=O)[O-])cs1 5216460 SQGMDAKXGIHJNA-UHFFFAOYSA-N 397.456 4.932 5 40 GJBB Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c(C)c1[N+](=O)[O-] 2734280 MQCZYGRPOKPHBI-UHFFFAOYSA-N 398.850 4.671 5 40 GJBB CCCN(Cc1ccc(C)cc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 22135972 QAMFHBRUTNHMOK-UHFFFAOYSA-N 398.506 4.902 5 40 GJBB O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)cc1 3651217 KAMSAFSPMOEHLS-UHFFFAOYSA-N 389.396 4.688 5 40 GJBB Cc1c(C(=O)NCc2ccc(COCc3ccccc3)cc2)cccc1[N+](=O)[O-] 32925078 GDEUYWGHSPEQQX-UHFFFAOYSA-N 390.439 4.550 5 40 GJBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 33614482 NTFQEVCGKIIIOY-MDZDMXLPSA-N 378.222 4.674 5 40 GJBB C[C@@]12CC3CC(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2 100293659 XMJDMPIOPSWRIU-HPISXYKUSA-N 397.519 4.674 5 40 GJBB C[N+]12CCCC[C@H]1[C@@H](COC(=O)[C@]13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 100745282 KBOAUZXZOYOMEX-YNQOVGMISA-N 380.980 4.517 5 40 GJBB Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 408622883 QBDYZOHHEOYEIE-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N3)C1 4571338 KMYORFJVNHKUBJ-GLEZIHRCSA-N 377.853 4.863 5 40 GJBB Cc1c(NC(=O)CSc2nc3ccccc3n2CC(C)C)cccc1[N+](=O)[O-] 6648982 DDEVXRUEWMNGOX-UHFFFAOYSA-N 398.488 4.640 5 40 GJBB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 22527050 COUVYSWCJYJLGS-IBGZPJMESA-N 380.400 4.553 5 40 GJBB O=C(O)Cn1cc(-c2cc(C(=O)O)c3c(ccc4ccccc43)n2)c2ccccc21 5800642 FRUQKXJLFNARFE-UHFFFAOYSA-N 396.402 4.793 5 40 GJBB O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccc(F)cc1 9422518 SNURTYIDUMHJSY-HXUWFJFHSA-N 377.375 4.501 5 40 GJBB COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(Cl)cc1 33560012 RVVGYGIGAWGELX-VOTSOKGWSA-N 398.640 4.938 5 40 GJBB Cc1noc(/C=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 33653431 APYCSEPSRYGHNY-DHZHZOJOSA-N 381.344 4.549 5 40 GJBB O=[N+]([O-])c1cccc(/C=C2\CCCC3=C2NC(=S)N[C@@H]3c2ccccc2)c1 57374810 YNEWEISRBQJILB-APEZIOSESA-N 377.469 4.635 5 40 GJBB Cc1cc[n+]2cc(-c3cccc([N+](=O)[O-])c3)c(-c3cccc([N+](=O)[O-])c3)cc2c1 4671197 VMTQGVXQELLYGU-UHFFFAOYSA-N 386.387 4.884 5 40 GJBB aggregator Cc1c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)cccc1C(=O)O 20139603 DNIDXAISGLENER-UHFFFAOYSA-N 390.804 4.722 5 40 GJBB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 33659546 DIPZOSBPVVDMHC-UHFFFAOYSA-N 380.231 4.754 5 40 GJBB O[C@H](COc1ccc(Cl)cc1Cl)C[N+]1(Cc2ccccc2)CCCC1 41690090 IDZJKOWCJICEKX-SFHVURJKSA-N 381.323 4.544 5 40 GJBB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(Cc1ccccc1F)CO2 61997705 ZFXRPQFHJGUMSF-UHFFFAOYSA-N 375.399 4.746 5 40 GJBB biogenic Cc1ccccc1C1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCOCC1 89689218 ZOKOFUKNOMQEOL-UHFFFAOYSA-N 377.444 4.612 5 40 GJBB Cc1csc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)cn12 5083725 UYEOZXCOXLHHOS-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB Cc1cc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc2ccccc12 7979232 FFYKRILCQBWUAJ-UHFFFAOYSA-N 387.848 4.836 5 40 GJBB C[C@@]12CC3CC(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 18254263 XMJDMPIOPSWRIU-QLOAFGCXSA-N 397.519 4.674 5 40 GJBB C[C@@H]1CCCN(c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[N+](=O)[O-])C1 105766782 WIIDXBCSSUKCJO-HUUCEWRRSA-N 387.505 4.726 5 40 GJBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OCC 408618755 GJOHFWULCWVSEP-UHFFFAOYSA-N 378.812 4.606 5 40 GJBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 3139270 OQYWRPRBTGRWID-QHCPKHFHSA-N 397.434 4.864 5 40 GJBB biogenic CCC[N+](CC)(CC)CCCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 4833249 UKZBSVJBHQLXMK-XMMPIXPASA-N 390.588 4.654 5 40 GJBB Cc1c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cccc1[N+](=O)[O-] 22523091 BWOONAIWUPERLH-UHFFFAOYSA-N 387.439 4.718 5 40 GJBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cc3ccc(Cl)cc3)nc12 32117679 HFCRBQMFUPVELC-UHFFFAOYSA-N 379.876 4.748 5 40 GJBB CCN(CC)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccsc1 58161488 JDNRMFYXPZSAHY-MRXNPFEDSA-N 396.900 4.514 5 40 GJBB O=C1S/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)N1CCCc1ccccc1 409133184 PAZAIYZKZOBEII-AQROGXCBSA-N 394.452 4.820 5 40 GJBB COc1ccc(-c2ccc(C(=O)Nc3ccccc3SC)o2)c([N+](=O)[O-])c1 5034598 XNVCWDWMOMLDLR-UHFFFAOYSA-N 384.413 4.838 5 40 GJBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 5052694 DHOXCMNSRGAGDA-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB COc1ccc(CC(=O)OCc2nc3ccccc3c3ccccc23)cc1OC 6646805 SXISCPQZLUHBKS-UHFFFAOYSA-N 387.435 4.691 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120093 HPBACDQQURCSMN-FMIVXFBMSA-N 399.406 4.979 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409190820 WNSXWUYIWDKVHN-FHLIZLRMSA-N 389.249 4.992 5 40 GJBB O=C(OCc1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2766433 CZRBNMYEINEXAW-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB NC(=O)c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 3447260 ZWWAWRDVWFJDJC-UHFFFAOYSA-N 391.408 4.763 5 40 GJBB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])c1 4365109 GHWAWPUCSLBMTD-BUHFOSPRSA-N 383.407 4.773 5 40 GJBB C[C@@H]1CCCN(c2cc(Nc3ccccc3Cl)c([N+](=O)[O-])c3nonc23)C1 5024755 YKCQCHFXGLUNJZ-LLVKDONJSA-N 387.827 4.764 5 40 GJBB O=C(c1ccccc1)c1ccc(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 5635352 UHCZCMPQWOVSPT-UHFFFAOYSA-N 375.409 4.853 5 40 GJBB O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3cccc(Br)c3)no2)c1 7781401 AMYYWOLJQLBYCZ-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB O=[N+]([O-])c1ccc(NN2[C@@H]3CC[C@@H]2c2c(ccc4ccccc24)O3)c([N+](=O)[O-])c1 100915338 UFSNMHRUVAYRIG-APWZRJJASA-N 392.371 4.539 5 40 GJBB COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] 408620545 HFXITSKMOKJLRJ-UHFFFAOYSA-N 384.432 4.669 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2 408997738 SPAYYYHLFUSKBX-TZYHBYERSA-N 386.407 4.795 5 40 GJBB CN1c2ccccc2[C@@]2(C)CCCC3=Cc4cc([N+](=O)[O-])cc([N+](=O)[O-])c4O[C@@]312 4794347 WZPULXTWYBZUOB-NHCUHLMSSA-N 393.399 4.567 5 40 GJBB aggregator Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCCOc2ccccc2)c1 8563482 GBIXXMGUTXDDQD-UHFFFAOYSA-N 392.411 4.613 5 40 GJBB CC(C)(C)SCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 408925317 MGTLFAXQNFPHCS-XDJHFCHBSA-N 384.501 4.783 5 40 GJBB Cc1ccc(-n2c(-c3cccs3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2354182 MVYTWUNIOSUURO-UHFFFAOYSA-N 386.432 4.529 5 40 GJBB Cc1ccn2c(NC(=O)c3cccc([N+](=O)[O-])c3)c(-c3ccc(F)cc3)nc2c1 4790904 ZHBJCXMEVOLFTI-UHFFFAOYSA-N 390.374 4.609 5 40 GJBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccc(F)cc1)n1c3ccccc3nc21 5302017 NVZRWIFOFJRMSF-UHFFFAOYSA-N 394.409 4.694 5 40 GJBB Cc1ccc(-c2noc(-c3ccc(NCc4cccnc4)c([N+](=O)[O-])c3)n2)cc1 8586805 DPBBNBOMAIGXOU-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB Cn1ccnc1[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 12534932 QYYFHBZCJBTTSK-INIZCTEOSA-N 394.328 4.688 5 40 GJBB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224745217 NCFKRLHSOMHQOP-UHFFFAOYSA-N 398.440 4.602 5 40 GJBB COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 408621343 LTGQBNPJSVDFPE-UHFFFAOYSA-N 384.432 4.669 5 40 GJBB CCOc1ccccc1Nc1nnc(SCc2ccc([N+](=O)[O-])cc2)s1 3562657 LQJGDYBGULEJIR-UHFFFAOYSA-N 388.474 4.881 5 40 GJBB CCOC(=O)[C@@H](C)Oc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4054469 SLVAIGMGUOMTNQ-LLVKDONJSA-N 398.337 4.688 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 59294202 ACMQMSUJZFWHEO-PKNBQFBNSA-N 393.355 4.723 5 40 GJBB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3)o2)cc1C 107932738 TXXXMXUBNVHMDR-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB CCN(CC)CCC[C@@H](C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 3093076 VVUUFOROTMXSJP-LJQANCHMSA-N 397.519 4.748 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cc1coc2cc(C)c(C(C)C)cc12 3430784 DPEYORZXIOHEID-UHFFFAOYSA-N 382.416 4.963 5 40 GJBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCC[C@@H]1c1ccc[nH]1 95953861 KNDAZNRQUZYYQV-MRXNPFEDSA-N 385.807 4.814 5 40 GJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c(C)n1 225859905 NUKBMNQHGLOQAH-UHFFFAOYSA-N 383.448 4.538 5 40 GJBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC 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Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1-c1ccc(CO)o1 20141112 NYAJFOGQDBZDJH-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB O=[N+]([O-])c1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccccc2)cc1 3556210 XRFRESGHFSVRMU-GOSISDBHSA-N 396.472 4.504 5 40 GJBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)C13C[C@@H]4C[C@@H](CC(Cl)(C4)C1)C3)CCC2 17161313 KBOAUZXZOYOMEX-UZYNAOKISA-N 380.980 4.517 5 40 GJBB C[C@@H](c1cccc2ccccc12)N(C1CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 32911855 LZFFPHUUIYNYRV-HNNXBMFYSA-N 396.468 4.662 5 40 GJBB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c1[N+](=O)[O-] 4435703 JMWOCTLBZSSAKW-UHFFFAOYSA-N 387.391 4.514 5 40 GJBB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2ccccc2cc2ccccc12 6602612 LKNVVALXUMSHTN-KKSFZXQISA-N 375.468 4.845 5 40 GJBB O=[N+]([O-])c1cc(-c2nc(-c3ccccc3Br)no2)ccc1Cl 34797719 MNLAMZWGJWGQPU-UHFFFAOYSA-N 380.585 4.728 5 40 GJBB Cc1cccn2c(NC(=O)c3csc([N+](=O)[O-])c3)c(-c3ccccc3)nc12 44336571 XRPLIAKSFWUABV-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 223018508 DPJZWBDPIXEPHL-OAQYLSRUSA-N 398.528 4.974 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1OC 409337683 XXRTUYSEUMHJQI-CODVICPNSA-N 380.444 4.909 5 40 GJBB COc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2-c2ccc(OC)cc2)cc1 7597601 JLMXKYYMOYDXTK-UHFFFAOYSA-N 393.395 4.541 5 40 GJBB C[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc(Cl)c(Cl)c1 32787357 GMBMHBVRBQPWON-VIFPVBQESA-N 378.215 4.874 5 40 GJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC12CC3CC(CC(C3)C1)C2 57315577 XMQCVDBXZPQMDN-SOFGYWHQSA-N 392.455 4.953 5 40 GJBB Cc1cc(C(C)(C)C)cc(C)c1CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1C 61796339 VYUCLNLTLQFZNL-UHFFFAOYSA-N 389.517 4.933 5 40 GJBB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cn3)n2)cc1 409387328 IKGREZBINUVKDL-UHFFFAOYSA-N 392.362 4.925 5 40 GJBB Cc1ccc2c(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cccc2n1 21596009 IIFDYMGECVCEAU-UHFFFAOYSA-N 390.443 4.694 5 40 GJBB O[C@@H](COc1ccc(-c2ccccc2)cc1)C[N+]1(Cc2ccccc2)CCCC1 36631464 GTRCMRDLVDZEKQ-RUZDIDTESA-N 388.531 4.904 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CO)cc1Br 322754334 CTFZACCWPGMYCT-UHFFFAOYSA-N 392.127 4.661 5 40 GJBB O=[N+]([O-])c1cccc(NC(=S)Nc2cc3ccncc3c3ncccc23)c1 408977501 VVPBKQQRWAIWFV-UHFFFAOYSA-N 375.413 4.500 5 40 GJBB O=[N+]([O-])c1cncc(Cl)c1OCc1nc(-c2ccccc2Cl)cs1 506446272 UINWMEFMDBSEBP-UHFFFAOYSA-N 382.228 4.999 5 40 GJBB Cc1ccc(Nc2nc(COC(=O)c3ccc([N+](=O)[O-])s3)cs2)cc1 6054207 DNLRVWBGDWNHOI-UHFFFAOYSA-N 375.431 4.522 5 40 GJBB CNc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1[N+](=O)[O-] 20837303 YAMQFJJCBTYIBQ-WYMLVPIESA-N 398.422 4.506 5 40 GJBB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 6243165 UKCBDJQSGYRHBM-LLVKDONJSA-N 391.880 4.889 5 40 GJBB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 6243428 LKDNVYKZZHZNAT-NSHDSACASA-N 391.880 4.889 5 40 GJBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)C13C[C@@H]4C[C@H](CC(Cl)(C4)C1)C3)CCC2 103954848 KBOAUZXZOYOMEX-UJAKOLNISA-N 380.980 4.517 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 855677 RUDFFERGFQHSOJ-SJKOYZFVSA-N 385.489 4.661 5 40 GJBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccccc1Cl 1060320 ZEMIOKYJWKZSSX-UHFFFAOYSA-N 390.770 4.998 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)c2cccs2)cc1 1426283 VDPVHYZUYOFOHW-LFYBBSHMSA-N 378.409 4.539 5 40 GJBB CC(C)Oc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)cc1 6049766 XMUHBSJKQUHUNE-UHFFFAOYSA-N 397.456 4.682 5 40 GJBB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C)c1 7042351 YNBFKFVHRNDFBG-LBPRGKRZSA-N 381.354 4.670 5 40 GJBB CC(C)(C)SCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 408923979 IVCRKEQFJCGBAY-XDJHFCHBSA-N 384.501 4.783 5 40 GJBB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 741769 GCVALLOIGOWGLT-UHFFFAOYSA-N 380.787 4.732 5 40 GJBB Cc1ccc(Nc2cc(N3CCC(C)CC3)c3nonc3c2[N+](=O)[O-])c(C)c1 4406283 NCAODPYEYGXLFM-UHFFFAOYSA-N 381.436 4.728 5 40 GJBB CN(C)CCCNc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc12 5460276 RWUQBOXMJIIXOZ-DHZHZOJOSA-N 376.460 4.677 5 40 GJBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(F)cc1 106689501 JGJBQAHUXMNRFD-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB C[C@H]1CCC[C@H](C)N1c1c(Br)cc([N+](=O)[O-])cc1Br 226316614 GBDXVIUTHMRMOA-IUCAKERBSA-N 392.091 4.887 5 40 GJBB CC(C)c1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 13546505 NCSOFCYZRMMGCF-WQRHYEAKSA-N 382.441 4.955 5 40 GJBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 984153 ATSJQOMFTQDHIE-UHFFFAOYSA-N 386.285 4.567 5 40 GJBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1[N+](=O)[O-] 4548568 AKXSFSBEKRJDAG-UHFFFAOYSA-N 389.367 4.635 5 40 GJBB CSc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10252269 YHGGAHBZBDDUFD-UHFFFAOYSA-N 385.470 4.621 5 40 GJBB COc1ccc(NCc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409121266 XRUROUYVICFZOZ-UHFFFAOYSA-N 395.371 4.916 5 40 GJBB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 989922 YROMVRSKSQJAMU-SJKOYZFVSA-N 385.489 4.661 5 40 GJBB CCN(CC)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 408623268 SFDIFKLJWWGWOB-UHFFFAOYSA-N 396.491 4.602 5 40 GJBB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl 4072196 CCRVXDDIRBTZIQ-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Nc2ccccc2)cc1 7497820 RZSRUYNDCHGULK-OAHLLOKOSA-N 377.400 4.744 5 40 GJBB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1[N+](=O)[O-] 6650325 UHYRXPFVMVZPBL-UHFFFAOYSA-N 395.849 4.694 5 40 GJBB Cc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 10542699 MNHVSBQPZMQWFV-UHFFFAOYSA-N 394.402 4.551 5 40 GJBB C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(F)cc2)cc1 54125112 HRXPQSRVIINYLU-CYBMUJFWSA-N 380.379 4.554 5 40 GJBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc2ncsc2c1 4088397 DOSLFMMZCHASPO-UHFFFAOYSA-N 382.426 4.580 5 40 GJBB O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc(OCc2ccccc2)cc1 40151325 VHOFTNPVWABYJG-UHFFFAOYSA-N 392.411 4.581 5 40 GJBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 4188791 QFIBSOSDWWBSFK-XQUALCHDSA-N 396.446 4.583 5 40 GJBB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 4832061 UUPGZTUFHUSODS-UHFFFAOYSA-N 390.566 4.716 5 40 GJBB O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 5173370 DQJJMVFEXIOLCK-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB O=C(Nc1cccc(Cl)c1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 8470834 PKWKGKWMJBVECH-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB O=C(Nc1ccc(N2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 9420727 RDZBRCKMBMZMDM-UHFFFAOYSA-N 379.460 4.646 5 40 GJBB CC(C)c1ccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@H]3C)cc1 100889605 OWNNOGNQZXDQHL-NQZBTDCJSA-N 397.500 4.899 5 40 GJBB O=C(Nc1cccc2cnccc12)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 4867865 YWASEWRLGRKTJL-UHFFFAOYSA-N 390.443 4.776 5 40 GJBB O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12908142 UENBFVGAXQJJJD-PAQRCMFQSA-N 398.462 4.551 5 40 GJBB Cc1cc(-c2ccc(Cl)cc2)nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1 409386800 XVXSBZFYJXQDSG-UHFFFAOYSA-N 385.832 4.977 5 40 GJBB CCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C 225860038 RCSZPZMOFFTWJQ-UHFFFAOYSA-N 383.448 4.538 5 40 GJBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 8562745 FPDIVYSKUPCTRG-OAHLLOKOSA-N 392.411 4.676 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CN2CCCc3ccccc32)cc1 44850364 YEXIZBBBJJEXDS-UHFFFAOYSA-N 387.439 4.800 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1[N+](=O)[O-] 408994817 JNFZNQDVWFFRAU-XEHFDHBKSA-N 395.415 4.808 5 40 GJBB CC(C)(C)c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 957236 ISRBJXXYKIOXAJ-UHFFFAOYSA-N 378.222 4.874 5 40 GJBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc2ccccc12 3039368 GASKLYJLAXHGJH-YVLHZVERSA-N 378.771 4.746 5 40 GJBB Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccc(F)cc1)CO2 55393860 KTODGKGUFSNULC-UHFFFAOYSA-N 375.399 4.746 5 40 GJBB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409065744 MPMGJEALBJVEKU-ZSOIEALJSA-N 378.793 4.564 5 40 GJBB COc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2251066 KCEWHUQAZQNIRP-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3cccc([N+](=O)[O-])c3)o2)c1 7301950 KWNSTOLGCNDSTK-NSHDSACASA-N 387.417 4.515 5 40 GJBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(OC2CCCC2)cc1 218050194 KKTZERTXARACOF-UHFFFAOYSA-N 386.473 4.788 5 40 GJBB COc1cc(C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1 22007084 JQROUMRXLGWYTK-UHFFFAOYSA-N 393.395 4.539 5 40 GJBB O=C(O[C@@]12[C@H]3C[C@@H](c4ccccc43)[C@H]1[C@@H]1CC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 104293160 UTHHWEOJJWTUEP-NQJWQTINSA-N 375.424 4.821 5 40 GJBB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 20455999 KEIQTUCFNZIGOU-GOSISDBHSA-N 376.840 4.774 5 40 GJBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 60031318 ZWMGDJLBPOOWMH-HNNXBMFYSA-N 394.349 4.726 5 40 GJBB O=[N+]([O-])c1cccc(/C=C2\CCCC3=C2NC(=S)N[C@H]3c2ccccc2)c1 57374811 YNEWEISRBQJILB-BAILOTOSSA-N 377.469 4.635 5 40 GJBB COc1ccc(N(C)C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408977870 YPSXUOGJXMDKFN-UHFFFAOYSA-N 382.423 4.550 5 40 GJBB CCc1ccc([C@@H](NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2cccs2)cc1 5406081 PJCNEPCMNFWWIY-HXUWFJFHSA-N 396.468 4.747 5 40 GJBB O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1)c1ccco1 6557886 FVZWPGCXFVMIFS-UHFFFAOYSA-N 375.340 4.781 5 40 GJBB Cc1cc(Br)cc(C)c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 45091638 HAASVMKHUHGZIE-UHFFFAOYSA-N 383.629 4.880 5 40 GJBB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc([N+](=O)[O-])cc1 4176251 WITJPIHSNKMOCF-UHFFFAOYSA-N 375.409 4.709 5 40 GJBB CN(C)c1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 408989060 GSBJDEMDFOYDDH-UHFFFAOYSA-N 396.454 4.974 5 40 GJBB O=[N+]([O-])c1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)cc1 409000233 NAIPVNJRWRTNCJ-HJNYFJLDSA-N 387.395 4.974 5 40 GJBB O=[N+]([O-])c1cc([N+](=O)[O-])c(OCc2ccccc2)cc1OCc1ccccc1 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O=C(O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1Cc3ccccc3[C@@H]21 169702373 NSBACPAXNQNGKI-GIVPXCGWSA-N 386.407 4.764 5 40 GJBB Cc1ccc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4496450 WDIHSRUNXCKXDF-UHFFFAOYSA-N 385.470 4.758 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c(c1)OCO3)N2 408997740 SPAYYYHLFUSKBX-YFXJRYMSSA-N 386.407 4.795 5 40 GJBB CC[C@@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(C)c1 2398059 OTVDQBFYAOCFJV-OAHLLOKOSA-N 397.482 4.871 5 40 GJBB Cn1c2ccccc2c(=O)c2c1nc(C1CCCCC1)n1c3ccccc3nc21 3192418 AJPVLMBKURDEPL-UHFFFAOYSA-N 382.467 4.935 5 40 GJBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 6882797 FCSYRCFLTLTSFH-UHFFFAOYSA-N 387.735 4.669 5 40 GJBB O=[N+]([O-])c1ccc(NCCNCc2ccccc2OCc2ccccc2F)cc1 8435773 LQHKOMMNQKMTQG-UHFFFAOYSA-N 395.434 4.515 5 40 GJBB Cc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 13856547 ZENLAIGRENUFOS-UHFFFAOYSA-N 391.379 4.735 5 40 GJBB Cc1c(NC(=O)N[C@H](C)c2cccc(Br)c2)cccc1[N+](=O)[O-] 40099052 WIUJWAZZZCIWEC-LLVKDONJSA-N 378.226 4.548 5 40 GJBB Cc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] 5779646 MQVFDULTCVOCJX-UHFFFAOYSA-N 393.370 4.535 5 40 GJBB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 4176298 KFEKWLRVUGDDNP-UHFFFAOYSA-N 397.412 4.754 5 40 GJBB Cc1nc(-c2ccc(Oc3nc4sccn4c3[N+](=O)[O-])c(F)c2)cs1 30518697 SADUDZMYTXUAMY-UHFFFAOYSA-N 376.394 4.667 5 40 GJBB OC(c1ccccc1)(c1ccccc1)[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2 1244370 LZKOHOFZGFNSOI-KLIUIWTBSA-N 384.543 4.979 5 40 GJBB O=[N+]([O-])c1ccccc1Sc1nnc(Sc2ccccc2[N+](=O)[O-])s1 2171473 XDZOKKQVTZTUJK-UHFFFAOYSA-N 392.443 4.657 5 40 GJBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145217 ZGZYKGMYWZLWHI-RUDMXATFSA-N 398.802 4.652 5 40 GJBB C[N+]12CCCC[C@@H]1[C@H](COC(=O)C(c1ccccc1)c1ccccc1)CCC2 4028653 NFYRNAJXDJGGCJ-MXKXXCEUSA-N 378.536 4.771 5 40 GJBB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2c1 4150586 FGRPXKAQGHQBST-UHFFFAOYSA-N 377.356 4.865 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] 20140986 JDJGQUSQPBHEIO-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[N+](=O)[O-])C1 6249521 RZTWIGQQRUWZCM-GFCCVEGCSA-N 391.830 4.876 5 40 GJBB Cc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1[N+](=O)[O-] 23011375 WJYINWQAFHSQFF-UHFFFAOYSA-N 390.399 4.800 5 40 GJBB Cc1ccc(C(=O)Nc2c(-c3cccs3)nc3ccccn23)cc1[N+](=O)[O-] 4790856 RTSHLZZHAUTIDJ-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB Cc1c(C(=O)N(C)C2CCCCC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 4931038 ONJUWRFKVIYPET-UHFFFAOYSA-N 398.488 4.684 5 40 GJBB Cc1ccc(NC(=O)[C@@H](Sc2ccccn2)c2ccccc2)c([N+](=O)[O-])c1 11225429 SUTVBKCZORZGER-IBGZPJMESA-N 379.441 4.770 5 40 GJBB Cc1ccc(S(=O)(=O)Nc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] 4148010 IIVQGWXHJZJGLO-UHFFFAOYSA-N 382.397 4.603 5 40 GJBB COc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)nc2cc1Cl 6441332 VEPDMEMKTFNEER-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB Cc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)ccc1[N+](=O)[O-] 20140954 KSYUYUROQCNXQI-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB CCCCN1C(=O)c2cccc3c(NC(=O)c4ccc([N+](=O)[O-])s4)ccc1c23 4088270 WJXCDJIHAWQCOS-UHFFFAOYSA-N 395.440 4.822 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1 5180259 LHZRSJFDWRSZJL-INIZCTEOSA-N 397.482 4.508 5 40 GJBB CCN(CC)Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 6949543 JRIZPPYXPYTLKC-XYOKQWHBSA-N 387.867 4.742 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1c2ccccc2Oc2ccccc21 24864353 XNJALOKAUJBIOA-UHFFFAOYSA-N 382.322 4.749 5 40 GJBB O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCC3)cc2Cl)c1 33870432 YAJZQWRTGXUUHI-UHFFFAOYSA-N 376.865 4.599 5 40 GJBB CC1CCN(c2cc(NC(=O)c3ccccc3F)c(Cl)cc2[N+](=O)[O-])CC1 72229242 NWZBVOYRLMXRPK-UHFFFAOYSA-N 391.830 4.876 5 40 GJBB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1[N+](=O)[O-] 408629070 LAFPTHNXZYRHPN-HNNXBMFYSA-N 383.448 4.625 5 40 GJBB Cc1cc(C)c(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 12797566 ZYONRQNJRWWJDD-INIZCTEOSA-N 378.428 4.621 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1 2675155 ZIISHDXIYUOENN-UHFFFAOYSA-N 384.295 4.549 5 40 GJBB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 17081464 NTJCHCOYROIEAQ-UHFFFAOYSA-N 398.444 4.504 5 40 GJBB CCn1ccc2cc(NC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)ccc21 65309895 CBXZPKZEOHTLNG-UHFFFAOYSA-N 392.440 4.945 5 40 GJBB Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] 214148756 QNLZCEPXWIDIQV-CXUHLZMHSA-N 388.832 4.793 5 40 GJBB O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1[N+](=O)[O-])[C@H]1[C@@H](S2)[C@H]2CC[C@@H]1C2 11859714 SGYWDQXTPZOBCU-RDCVXEHBSA-N 386.498 4.662 5 40 GJBB O=[N+]([O-])c1cccc(OCCCN2CCC(c3nc4ccccc4s3)CC2)c1 9052077 SEUYIZOPYYDUJC-UHFFFAOYSA-N 397.500 4.853 5 40 GJBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 12062431 QFIBSOSDWWBSFK-NEWJYFPISA-N 396.446 4.583 5 40 GJBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 43548323 DLRZKCBAEXSFIH-AWEZNQCLSA-N 397.431 4.861 5 40 GJBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1[C@@H](c1ccccc1)c1ccc(Cl)cc1 59459359 YKBDWPIKGIWLRR-IBGZPJMESA-N 392.798 4.634 5 40 GJBB C[C@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O2 2687613 TVSOLXAZAHLXCF-GUYCJALGSA-N 394.214 4.671 5 40 GJBB CCCn1c(C)cc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)c1C 3333197 NYLCNBDPFCCPSG-UHFFFAOYSA-N 384.461 4.799 5 40 GJBB O=[N+]([O-])c1ccc2nc(/C=C/c3ccc(O)c(Br)c3)sc2c1 6052285 YTLQHTSBZOXLHV-QHHAFSJGSA-N 377.219 4.843 5 40 GJBB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 9360249 OUVAKNXTEUULMC-IBGZPJMESA-N 394.456 4.822 5 40 GJBB C[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(Cl)c1 57568243 TUUWKXRWZXRQBB-JTQLQIEISA-N 383.231 4.619 5 40 GJBB O=[N+]([O-])c1ccccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 6399585 RWANNMXXVMMSSU-UHFFFAOYSA-N 390.424 4.943 5 40 GJBB CC1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2[N+](=O)[O-])CC1 32841985 CLJGYFVCAVROGB-HNNXBMFYSA-N 387.505 4.726 5 40 GJBB CCc1ccc(C(=O)Nc2cc(N(CC)CC)c([N+](=O)[O-])cc2Cl)cc1 72229132 VROIPRWSZCQNRJ-UHFFFAOYSA-N 375.856 4.909 5 40 GJBB CC(C)Sc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408749681 IPJNOMMJPSWBCH-UHFFFAOYSA-N 399.453 4.506 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409000894 YYCNKZGNIUCPNS-COPCDDAFSA-N 387.395 4.974 5 40 GJBB COc1cc(CO)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409111167 CAGJSZFEXWWFNF-UHFFFAOYSA-N 377.702 4.560 5 40 GJBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6526760 AOWHZHLJGKZTQU-UHFFFAOYSA-N 394.339 4.652 5 40 GJBB Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)n1-c1ccccc1 408575056 VTONLBNVJFYZJL-LJQANCHMSA-N 382.489 4.809 5 40 GJBB Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 853525 NMQNHOWAYITNKP-UHFFFAOYSA-N 396.468 4.607 5 40 GJBB COc1ccccc1Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 3306764 RXWZJIBNGCLNSM-UHFFFAOYSA-N 377.400 4.908 5 40 GJBB COc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 5021705 CUQZRNJOMIXUTL-UHFFFAOYSA-N 397.394 4.553 5 40 GJBB O=[N+]([O-])c1ccc(N2CCC(CCc3ccc(O)cc3)CC2)c2ccncc12 58434686 GFHYGQJVWGULAL-UHFFFAOYSA-N 377.444 4.698 5 40 GJBB COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)c1 79485932 AIDGCFVGFWXVNE-UHFFFAOYSA-N 389.411 4.998 5 40 GJBB O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)N=C(S)N1c1ccccc1 3035027 UDAIHHFKAIONSO-VBKFSLOCSA-N 391.408 4.528 5 40 GJBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)c2ccc(F)cc2)c1 3090513 IPLYXDWRMKQTQA-AWNIVKPZSA-N 390.370 4.617 5 40 GJBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc(C(F)(F)F)c1 4071765 RLFATRAZKWUPJL-UHFFFAOYSA-N 393.346 4.989 5 40 GJBB CC(=O)N(Cc1c(C)nn(-c2ccccc2)c1Cl)c1ccc([N+](=O)[O-])cc1C 5001318 KZBDKOJORUIEHD-UHFFFAOYSA-N 398.850 4.604 5 40 GJBB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 5547340 JXKCMOMUCPJGMQ-UHFFFAOYSA-N 392.367 4.646 5 40 GJBB C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2S1 6062113 HFOLOZYMIJNQTE-GFCCVEGCSA-N 392.864 4.545 5 40 GJBB Cc1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1[N+](=O)[O-] 7947069 RABNFAIMVFWYLX-GOSISDBHSA-N 384.482 4.814 5 40 GJBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1cccc2ccccc12)c1ccccn1 27662312 WFKGYFWAISSWJD-UHFFFAOYSA-N 383.407 4.990 5 40 GJBB COc1cc(-c2nc3c(F)cccc3n2C2CC2)c([N+](=O)[O-])cc1OC(F)F 71810463 PCGVSBJYLIVGFJ-UHFFFAOYSA-N 393.321 4.696 5 40 GJBB CC1CCN(C(=S)Oc2ccc3nc4[nH]c5ccccc5c4nc3c2)CC1 103989701 CJHBTFCWYFNHOP-UHFFFAOYSA-N 376.485 4.660 5 40 GJBB CCOc1ccc([C@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OC 718328 WQJGFQNQEQBDRM-JOCHJYFZSA-N 377.396 4.998 5 40 GJBB CCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2256591 LTEVDIIDCSKBEN-UHFFFAOYSA-N 375.476 4.600 5 40 GJBB COc1ccc(C(=O)Nc2ccccc2SCC(F)(F)F)cc1[N+](=O)[O-] 13002862 IPNISTWNXZOPEA-UHFFFAOYSA-N 386.351 4.510 5 40 GJBB CCCC(=O)Oc1cn(CCC)c2nc(CCC)n3c4ccccc4nc3c12 13228200 FYWLLASDLTVYJQ-UHFFFAOYSA-N 378.476 4.905 5 40 GJBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1c(Cl)cccc1Cl 13929331 NYMMSPXGISDYLO-AUWJEWJLSA-N 397.601 4.900 5 40 GJBB Cc1cc(C(=O)O)ccc1NC(=O)c1sc2c([N+](=O)[O-])cccc2c1Cl 20139609 DLDDMPPCFYPTST-UHFFFAOYSA-N 390.804 4.722 5 40 GJBB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728946 VTYYUIWRJYRPDV-NVNXTCNLSA-N 392.795 4.624 5 40 GJBB CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C1CCCCC1 2415513 GQROEUIGOOZWPK-UHFFFAOYSA-N 375.476 4.518 5 40 GJBB CC(=O)Nc1ccc(OC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 32902190 KQXHGMHSUUPCRH-UHFFFAOYSA-N 391.383 4.516 5 40 GJBB O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)c1cc(F)c([N+](=O)[O-])cc1F 95428275 WAQXSKZRXKEGOV-IBGZPJMESA-N 386.329 4.532 5 40 GJBB Cc1cc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)ccc1I 226239797 JUTRREBFAGCZCS-UHFFFAOYSA-N 394.168 4.624 5 40 GJBB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1[N+](=O)[O-] 408629071 LAFPTHNXZYRHPN-OAHLLOKOSA-N 383.448 4.625 5 40 GJBB Cc1oc(-c2ccccc2)cc1C(=O)NCCNc1c(Cl)cccc1[N+](=O)[O-] 5532434 DWWAELNCNOUREE-UHFFFAOYSA-N 399.834 4.659 5 40 GJBB O=C(c1ccccc1)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 15169493 VCFWPTWJKHKNAL-HNNXBMFYSA-N 378.350 4.605 5 40 GJBB S=C(Nc1cc2cccnc2c2cccnc12)N1CC[C@H](c2ccccc2)C1 408973892 CFSLBSBIVNTDGX-SFHVURJKSA-N 384.508 4.969 5 40 GJBB CCc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@@H](C)CC)cnc32)c1 2426353 KVGZXEJJNQBRPK-HNNXBMFYSA-N 397.482 4.817 5 40 GJBB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl 7706078 KJOUOUNBEYOHOD-JTQLQIEISA-N 375.837 4.691 5 40 GJBB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 16227070 PVIWQDGPMQRKAH-UHFFFAOYSA-N 389.367 4.664 5 40 GJBB Cc1c(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cccc1[N+](=O)[O-] 20141036 TXVRQDJTDVJHEE-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)C1 30945840 FRZKSNBVUYEMCE-AWEZNQCLSA-N 387.867 4.732 5 40 GJBB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4545488 VDLOEIHCOXIVQR-BMLIUANNSA-N 387.461 4.609 5 40 GJBB Cc1ccc(CNc2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])cc1 8586840 ZYPIXMBYHUBYDZ-UHFFFAOYSA-N 387.399 4.627 5 40 GJBB aggregator O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1c(F)cccc1Cl)C1CC1 12773497 HCFMAJZEEQPYNW-UHFFFAOYSA-N 383.206 4.846 5 40 GJBB COc1ccc([C@H](O)[C@@H](C)NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1 95976038 HXWQJMXNZILVRH-SPLOXXLWSA-N 398.484 4.544 5 40 GJBB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nn2)cc1C 408531449 TXHDTGJVEVJEGW-UHFFFAOYSA-N 383.791 4.541 5 40 GJBB Cc1cccc(NC(=O)COc2cccc(CNc3cccc([N+](=O)[O-])c3)c2)c1 408559945 XHNSYJUQYRWJFX-UHFFFAOYSA-N 391.427 4.533 5 40 GJBB O=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(F)c(Cl)c1 2689350 AGUOFKJELJRCSC-UHFFFAOYSA-N 388.803 4.572 5 40 GJBB CSc1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 6152591 ORKIPHCZOSAAEQ-AWEZNQCLSA-N 385.489 4.805 5 40 GJBB COC(=O)c1sc([N+](=O)[O-])cc1O[C@H](C)c1ccccc1C(F)(F)F 85221431 KLEJCIQBFZNRSX-MRVPVSSYSA-N 375.324 4.602 5 40 GJBB CC(C)c1ccc(N2C(=S)N[C@H]3c4cc([N+](=O)[O-])ccc4O[C@@]2(C)[C@@H]3C)cc1 100889602 OWNNOGNQZXDQHL-DYHNYNMBSA-N 397.500 4.899 5 40 GJBB Cn1c(-c2cccc(Br)c2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 4678269 CHQORGFXFNTTRR-UHFFFAOYSA-N 397.232 4.678 5 40 GJBB O=C(Nc1nccs1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 6646413 NWMLRGYZRLPYMG-UHFFFAOYSA-N 375.406 4.594 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)cc1 59409084 BHJVQGOMCKGVHP-OAQYLSRUSA-N 391.452 4.871 5 40 GJBB CCCCCCn1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2245971 CTBYPFANYMBRTI-UHFFFAOYSA-N 389.503 4.990 5 40 GJBB Cc1ccc(C(=O)c2oc(=O)c3ccccc3c2-c2ccccc2)cc1[N+](=O)[O-] 3297203 LNASTUFQKAOMGB-UHFFFAOYSA-N 385.375 4.908 5 40 GJBB C[C@H](Sc1ncnc2sccc12)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 7112860 GSLRKOKVJRARHY-VIFPVBQESA-N 385.430 4.503 5 40 GJBB Cn1/c(=N\C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c3ccccc3ccc21 11852847 WXYWPRCGBATTAK-XUTLUUPISA-N 397.843 4.696 5 40 GJBB Cn1ccnc1[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 12534933 QYYFHBZCJBTTSK-MRXNPFEDSA-N 394.328 4.688 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1 26460252 YXOQWJJFYWVAJQ-KRWDZBQOSA-N 394.258 4.505 5 40 GJBB C[C@H]1[C@H](c2ccccc2)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 79051306 VXTHNGAOOLRJNU-OXJNMPFZSA-N 377.444 4.670 5 40 GJBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1 107825093 QIDGKGDEAIRCME-CSKARUKUSA-N 380.400 4.958 5 40 GJBB Cc1cc(Cl)ccc1NC(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 12522143 RWVVCGXNPFSWSD-UHFFFAOYSA-N 392.842 4.661 5 40 GJBB CN(Cc1nc(-c2ccccc2Cl)no1)Cc1cc([N+](=O)[O-])ccc1Cl 12996170 NSVMZYJQYYKOKD-UHFFFAOYSA-N 393.230 4.584 5 40 GJBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c(C(F)(F)F)c1 60031320 ZWMGDJLBPOOWMH-OAHLLOKOSA-N 394.349 4.726 5 40 GJBB Cc1ccc(-[n+]2c(-c3ccc([N+](=O)[O-])cc3)cn3c2CCc2ccccc2-3)cc1 26508952 UABCAFPHKRWHIB-UHFFFAOYSA-N 382.443 4.736 5 40 GJBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COCC(C)C 224742209 GJHUMTUQOUJYMV-UHFFFAOYSA-N 386.448 4.727 5 40 GJBB CC(C)CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 943814 KPWIZFDTGLHHFP-UHFFFAOYSA-N 390.823 4.703 5 40 GJBB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1cccc([N+](=O)[O-])c1 4678715 KPNQQLZYVDMXHE-UHFFFAOYSA-N 377.231 4.914 5 40 GJBB O=c1nc2c3ccccc3nc(Nc3ccc(Cl)cc3)n2nc1-c1ccccc1 89847930 BTKFIBRLFKJHMR-UHFFFAOYSA-N 399.841 4.702 5 40 GJBB COc1ccc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1[N+](=O)[O-] 408993040 BPDNQPLLFFNOIT-DNLDMXRNSA-N 394.427 4.598 5 40 GJBB COc1ccccc1/C=C/C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 6886380 YSZAETZYYBLVMJ-ACCUITESSA-N 386.403 4.711 5 40 GJBB Cc1ccc(Oc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cn2)cc1C 58363391 ZSDMEOWPYSMWLW-UHFFFAOYSA-N 377.400 4.960 5 40 GJBB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)cc1 6478811 ZIZMDXRLJPAAAS-UHFFFAOYSA-N 390.395 4.513 5 40 GJBB O=C(Nc1cc([N+](=O)[O-])c(/C=C/c2ccccc2)cc1C(=O)O)c1ccccc1 3844610 ACPPMSIYMNLOFM-VAWYXSNFSA-N 388.379 4.716 5 40 GJBB COc1cc2c(c([N+](=O)[O-])c1)O[C@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C 4794566 PEKCKAVUMDUENJ-FGZHOGPDSA-N 378.428 4.667 5 40 GJBB Cc1c(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] 14287472 TWDREOVICKYNCL-UHFFFAOYSA-N 385.807 4.783 5 40 GJBB Cc1c(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cccc1[N+](=O)[O-] 20141020 KYLVPCLKFATDDJ-UHFFFAOYSA-N 386.791 4.561 5 40 GJBB COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1cccc(Cl)c1 33547213 PMICSUPZHGJGDA-AATRIKPKSA-N 398.640 4.938 5 40 GJBB COc1ccc(C(=O)N(c2ccccc2[N+](=O)[O-])C2CCCCC2)cc1OC 59488893 VPVQVNBGUHUILG-UHFFFAOYSA-N 384.432 4.592 5 40 GJBB CCc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n([C@H](C)CC)cnc32)cc1 2448597 BQOFLBVFADLWQC-OAHLLOKOSA-N 397.482 4.817 5 40 GJBB Cc1ccn2c(NC(=O)c3ccc([N+](=O)[O-])cc3)c(-c3cccs3)nc2c1 4597449 REXJRKOVOFQFIA-UHFFFAOYSA-N 378.413 4.532 5 40 GJBB Cc1ccc(-n2c(-c3ccccc3F)nc3oc4ccccc4c(=O)c3c2=O)cc1 2437487 JBCXAMZRTGZVRD-UHFFFAOYSA-N 398.393 4.607 5 40 GJBB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 14649286 PCCRMTTWOCZKKB-UHFFFAOYSA-N 393.237 4.789 5 40 GJBB Cc1cccc(C(=O)NCc2cccc(COCc3ccccc3)c2)c1[N+](=O)[O-] 40094757 KBNRXBIFWWNYKZ-UHFFFAOYSA-N 390.439 4.550 5 40 GJBB O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 4615044 PCOHBLWVXGXXIR-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB CC1(C)c2cc(Br)ccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@@]21C 5261030 CYANKAZOJWWUIX-GOSISDBHSA-N 389.249 4.764 5 40 GJBB O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)cc1 408610626 QTHGZMRQACRHGU-UHFFFAOYSA-N 379.372 4.694 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1OC 409337684 XXRTUYSEUMHJQI-DSKMESRISA-N 380.444 4.909 5 40 GJBB COc1cc2c(c([N+](=O)[O-])c1)O[C@@]13C(=C2)CCC[C@]1(C)c1ccccc1N3C 4794559 PEKCKAVUMDUENJ-YADHBBJMSA-N 378.428 4.667 5 40 GJBB CC(=O)Oc1cn(-c2cccc(Cl)c2)c2nc(C)n3c4ccccc4nc3c12 101271529 QTHWEBZACHUMOQ-UHFFFAOYSA-N 390.830 4.714 5 40 GJBB Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 2303043 PVDFAGRJJALHAJ-UHFFFAOYSA-N 381.395 4.852 5 40 GJBB C[C@@]12C[C@H](NC(=O)N1c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O2 2687611 TVSOLXAZAHLXCF-SUMWQHHRSA-N 394.214 4.671 5 40 GJBB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(F)cc3)c2)cc1[N+](=O)[O-] 5125469 AXVMPMWOELHTDJ-UHFFFAOYSA-N 393.374 4.547 5 40 GJBB CN(Cc1cccc(SC(=O)N(C)C)c1)Cc1cc([N+](=O)[O-])ccc1Cl 79053304 JUSYICCPAZFBSB-UHFFFAOYSA-N 393.896 4.654 5 40 GJBB CCOc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(C)c2[N+](=O)[O-])cc1 5393486 MXARYOGHUCQSDY-UHFFFAOYSA-N 395.419 4.588 5 40 GJBB Cc1cccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1[N+](=O)[O-] 32904191 NWHXVIJWMFEOCY-UHFFFAOYSA-N 390.399 4.800 5 40 GJBB Cc1oc(-c2cccs2)nc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 47078477 MZYAOLLHKUUSQG-UHFFFAOYSA-N 391.836 4.545 5 40 GJBB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 106722586 HMMSBLDSFYFKFH-WQRHYEAKSA-N 398.440 4.619 5 40 GJBB CCCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1OC 324851759 MJRIVUIKUJTHSJ-UHFFFAOYSA-N 395.253 4.767 5 40 GJBB COc1ccccc1C(=O)Nc1ccc2c(c1)nc1c3ccccc3c(C)nn21 2316371 LLLHEYMUUZZNBF-UHFFFAOYSA-N 382.423 4.605 5 40 GJBB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2618394 QPWBBZJRRWIMSR-SECBINFHSA-N 393.877 4.977 5 40 GJBB O=[N+]([O-])c1cccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)c1 5261890 QOLKQUXCDBZYPM-UHFFFAOYSA-N 388.427 4.626 5 40 GJBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1ccc(-c2ccccc2Cl)o1 107645391 AMRNIGRISLPSDV-BOPFTXTBSA-N 394.770 4.853 5 40 GJBB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 408719556 VEITXEYFKOBKNT-VCHYOVAHSA-N 397.456 4.824 5 40 GJBB O=[N+]([O-])c1cccc(-c2csc(-n3nc4c(c3C(F)(F)F)CCCC4)n2)c1 33435662 WBPWQIOYXZALAM-UHFFFAOYSA-N 394.378 4.802 5 40 GJBB O=C(c1c[nH]c(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H]1c1ccc(Cl)cc1 96011207 CLFQQAHVCGJPGA-GOSISDBHSA-N 396.834 4.616 5 40 GJBB CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 4893829 MSTUIGUWEGPNPT-UHFFFAOYSA-N 393.399 4.846 5 40 GJBB COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 237342730 UWXUIJJNSBWDMH-UHFFFAOYSA-N 394.427 4.803 5 40 GJBB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 408988566 DUBOEDPEOVQUBO-BAGYTPMASA-N 386.407 4.764 5 40 GJBB CCOC(=O)[C@H](C)Oc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4054470 SLVAIGMGUOMTNQ-NSHDSACASA-N 398.337 4.688 5 40 GJBB Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3ccccc3)c12 5516313 FSEBLDWXJMYQSG-UHFFFAOYSA-N 381.435 4.903 5 40 GJBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(CO)c(F)c1 58421721 DXVSSCJLVLNKAS-UHFFFAOYSA-N 378.709 4.511 5 40 GJBB O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Br)cc3)o2)c1 19927944 OEYDCSIJQIKTPE-UHFFFAOYSA-N 392.234 4.700 5 40 GJBB CC(=O)Oc1cn(-c2ccc(Cl)cc2)c2nc(C)n3c4ccccc4nc3c12 101227430 QSLDINFFTJTSRX-UHFFFAOYSA-N 390.830 4.714 5 40 GJBB Brc1c(-c2ccccc2)nn2c1nnc1c3ccccc3ccc12 704308 FYOYZUSNWOLGFS-UHFFFAOYSA-N 375.229 4.860 5 40 GJBB CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccccc2)C2=C1CCO2 4897758 CONVGNRTNRHJCN-MUUNZHRXSA-N 399.343 4.681 5 40 GJBB O=[N+]([O-])c1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2F)c1 5020154 IEKPTRLSLHXZPJ-UHFFFAOYSA-N 385.358 4.683 5 40 GJBB Cc1ccc(-c2noc(SCC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 7342103 AQLUNTNQRPYRQG-UHFFFAOYSA-N 389.820 4.582 5 40 GJBB O=[N+]([O-])c1ccc2c(c1)N=C1O[C@@H](c3ccc(Cl)cc3Cl)C(O)=C1N2 104240048 CVJIXMBDJHOQOE-HNNXBMFYSA-N 378.171 4.898 5 40 GJBB O=C(CSc1ccccc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl 1475785 QCKDCQWEBKJPIA-UHFFFAOYSA-N 390.770 4.998 5 40 GJBB Cc1ccc(-n2c(-c3ccc(F)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 5442830 MZXVJSGKCCHYQR-UHFFFAOYSA-N 398.393 4.607 5 40 GJBB CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1c[nH]c2ccccc12 15835473 CPPHHQDBWSERPQ-JOCHJYFZSA-N 385.423 4.938 5 40 GJBB CC(=O)c1ccc(NC(=O)c2ccc3nc4[nH]c5ccccc5c4nc3c2)cc1 408721889 MMGIDQYHWJERLA-UHFFFAOYSA-N 380.407 4.719 5 40 GJBB CC[C@H](C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)cc(C)c1 2434151 USWYDYFEVUSZPD-INIZCTEOSA-N 397.482 4.871 5 40 GJBB Cc1c(NC(=O)c2cccc(OCCOc3ccccc3)c2)cccc1[N+](=O)[O-] 8563490 XVQNVIPVUIFAGR-UHFFFAOYSA-N 392.411 4.613 5 40 GJBB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1[N+](=O)[O-] 12983007 RIVMOFCSFBJSPJ-UHFFFAOYSA-N 381.457 4.533 5 40 GJBB O=c1c2ccccc2nc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1Cl 13942970 VQJCVKKTAGDWQZ-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] 408562693 RKGDDZCTBPDNNO-MRCUWXFGSA-N 381.457 4.503 5 40 GJBB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1 409387071 ZGGHGRXAQUZICE-UHFFFAOYSA-N 399.859 4.989 5 40 GJBB Cc1ccc(-c2csc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)n2)cc1 3448911 YNXHGNIYILZWDY-UHFFFAOYSA-N 385.470 4.758 5 40 GJBB COc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 5360839 XYRKUZDIHVRGOI-UHFFFAOYSA-N 389.820 4.633 5 40 GJBB Cc1cc(C)cc(NC(=O)[C@@H](Oc2ccc(C)nc2[N+](=O)[O-])c2ccccc2)c1 6912394 YBGGJHXKUWOFNR-FQEVSTJZSA-N 391.427 4.674 5 40 GJBB Cc1c(C(=O)N(CCc2cccs2)Cc2cccs2)cccc1[N+](=O)[O-] 37117710 LMZZJDBKJLMCRQ-UHFFFAOYSA-N 386.498 4.911 5 40 GJBB CN(C)c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] 72229394 SJQUOPFDVJHJET-UHFFFAOYSA-N 388.638 4.873 5 40 GJBB Cc1ccc(-n2c(-c3ccccc3C)nc3oc4ccccc4c(=O)c3c2=O)cc1 2200511 LXWCERXPUGFEEL-UHFFFAOYSA-N 394.430 4.776 5 40 GJBB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1ccccc1[N+](=O)[O-] 4826107 GKIRACIHGNDGJX-SECBINFHSA-N 393.877 4.977 5 40 GJBB COc1ccccc1Nc1nc(Nc2cccc(C)c2C)nc(C)c1[N+](=O)[O-] 5337827 WEPPNEJENKSWEQ-UHFFFAOYSA-N 379.420 4.806 5 40 GJBB C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1Cl 5869404 MNCUIAVOLJVMEB-VIFPVBQESA-N 388.729 4.673 5 40 GJBB O=c1c2ccccc2nc(Sc2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 39238284 XZALIFUKMKLUMN-UHFFFAOYSA-N 389.436 4.504 5 40 GJBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 1313481 WOZHAORNWWVVEP-UHFFFAOYSA-N 393.365 4.856 5 40 GJBB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 40142566 SCJDIMJFXZEWMS-CXAGYDPISA-N 388.489 4.807 5 40 GJBB Cc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1[N+](=O)[O-] 5618314 OJKZSBKHAFEXET-UHFFFAOYSA-N 392.234 4.528 5 40 GJBB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 6255730 WXSYVKPUFXWHEJ-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 6282292 SEVFOPXZZCJOBG-SFHVURJKSA-N 396.424 4.502 5 40 GJBB CC(=O)Nc1cccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])c1 6596938 YPACEXNPNGVVJS-UHFFFAOYSA-N 376.368 4.577 5 40 GJBB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 56171604 CANAKGICJSHBCV-LLVKDONJSA-N 380.429 4.519 5 40 GJBB Cc1c(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cccc1[N+](=O)[O-] 62582251 XKTDOIVAJOJUAW-UHFFFAOYSA-N 399.497 4.797 5 40 GJBB O=[N+]([O-])c1ccc2cnn(CN3CCCC[C@H]3c3nc4ccccc4s3)c2c1 23856146 CONXJHXMBZNJHG-KRWDZBQOSA-N 393.472 4.739 5 40 GJBB Cc1csc(N(C(=O)CCNc2ccccc2[N+](=O)[O-])c2ccccc2)n1 58404756 ZYNULBZZSYKMOD-UHFFFAOYSA-N 382.445 4.527 5 40 GJBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(C)C)cc1 2403226 YEHHIYCBPLPSHO-UHFFFAOYSA-N 397.482 4.817 5 40 GJBB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(Cl)ccc1[N+](=O)[O-] 14910444 ROYAJKVIFSFIOJ-UHFFFAOYSA-N 384.823 4.577 5 40 GJBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cc(Cl)ccc1Cl 4072322 PWMMIEASLQEXKA-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 4849287 JEMMGAVSTPHYGZ-UHFFFAOYSA-N 381.457 4.745 5 40 GJBB COc1ccc(Nc2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 5173979 HDJIGERHQYIQCX-UHFFFAOYSA-N 380.360 4.999 5 40 GJBB COc1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 24832728 JWGWAPSKFXSXGI-ZDUSSCGKSA-N 388.851 4.698 5 40 GJBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 1063360 GEPPUESNZWJIAT-UHFFFAOYSA-N 395.227 4.672 5 40 GJBB O=c1oc2c3c(ccc2c2ccccc12)OCN(Cc1cccc(Cl)c1)C3 19882358 OQEHXRZZXHNHBK-UHFFFAOYSA-N 377.827 4.952 5 40 GJBB biogenic O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 409026080 FQYAMGFAJKQRTN-UHFFFAOYSA-N 385.272 4.565 5 40 GJBB Cc1cc2nc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3O)oc2cc1C 830450 CSMNWDFXVYCLGD-UHFFFAOYSA-N 393.355 4.571 5 40 GJBB biogenic Cc1ccc(OCc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 6479725 NTBRGQKLQOJBJZ-UHFFFAOYSA-N 377.396 4.839 5 40 GJBB COc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1[N+](=O)[O-] 7756741 LSKIZVVITOBDER-UHFFFAOYSA-N 397.456 4.904 5 40 GJBB CC(C)Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc21 3498586 AXFHIIIWXZSBGJ-UHFFFAOYSA-N 399.472 4.759 5 40 GJBB COc1ccc(NC(=O)c2ccc(COc3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 6479689 KZQLMAOACFJHBA-UHFFFAOYSA-N 392.411 4.743 5 40 GJBB O=[N+]([O-])c1cc(Br)cc2nc(O)c3cc(Br)ccc3c12 16952983 CSINRGQQILCKQC-UHFFFAOYSA-N 398.010 4.527 5 40 GJBB Cc1cccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2)c1 408576057 XGSVAOQUVFENAW-KRWDZBQOSA-N 388.880 4.648 5 40 GJBB COc1ccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1[N+](=O)[O-] 408994814 JNFZNQDVWFFRAU-DNLDMXRNSA-N 395.415 4.808 5 40 GJBB CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cc2Cl)cc1 78823871 PUJDWKYREPWWGR-GFCCVEGCSA-N 391.859 4.690 5 40 GJBB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1316428 UPQHBIZGGZVNRL-UHFFFAOYSA-N 377.400 4.707 5 40 GJBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl 3515322 GIFGANURJVAJFX-UHFFFAOYSA-N 375.595 4.573 5 40 GJBB CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 4526105 ILJKDIASLHKJCY-WOJGMQOQSA-N 398.440 4.619 5 40 GJBB CC(=O)c1cccc(NC(=O)[C@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 5869428 JHPSAFMXESONAM-OAQYLSRUSA-N 390.395 4.556 5 40 GJBB O=[N+]([O-])c1cc(Cl)cc(Br)c1OCc1cc(-c2ccco2)on1 12736376 MRAKFLRPMLAETH-UHFFFAOYSA-N 399.584 4.838 5 40 GJBB CCc1cc(N2CCCC[C@@H]2c2nccs2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282891 KWZNQVDDXVRLGF-QGZVFWFLSA-N 395.488 4.802 5 40 GJBB COc1ccc(NC(=O)Nc2ccc3[nH]c4nc5ccccc5nc4c3c2)cc1 104754830 HRSUXKIUPAMOMU-UHFFFAOYSA-N 383.411 4.917 5 40 GJBB CCOc1ccc(-c2nc3cc([N+](=O)[O-])cc(C)c3o2)cc1Br 226237566 IHSSLWVBHCGBDY-UHFFFAOYSA-N 377.194 4.873 5 40 GJBB O=C(COC(=O)c1ccccc1F)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 13856544 KGGJRMSAIGYXDV-UHFFFAOYSA-N 395.342 4.566 5 40 GJBB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc([N+](=O)[O-])cc1 4812529 PFLBPQOSBXTLFT-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB O=c1[nH]c2c(s1)[C@H](/C=C/c1ccccc1[N+](=O)[O-])[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100872382 SGYWDQXTPZOBCU-CMWXJJEHSA-N 386.498 4.662 5 40 GJBB Cc1cc([N+](=O)[O-])cc2nc(-c3ccc(N(C)C)c(Br)c3)oc12 216878108 SNRKSDXODJOMTB-UHFFFAOYSA-N 376.210 4.540 5 40 GJBB O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1 3202724 UPYSNBLBFCHYTD-UHFFFAOYSA-N 395.396 4.907 5 40 GJBB COc1ccc(-c2c/c(=N\c3cccc([N+](=O)[O-])c3)c3cc(O)ccc3o2)cc1 16917097 SHPPSUUFEVTMEZ-BSYVCWPDSA-N 388.379 4.955 5 40 GJBB biogenic CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1cccc([N+](=O)[O-])c1 65090425 ZYVLVHRHDRCJKT-SFHVURJKSA-N 378.365 4.649 5 40 GJBB Cn1c2nc3ccccc3nc2c2cc(Br)cc(Br)c21 1452081 GHIAWLBXHMACKC-UHFFFAOYSA-N 391.066 4.800 5 40 GJBB O=C(Cc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 3348187 VUBAFUYHMRYSGG-UHFFFAOYSA-N 381.428 4.611 5 40 GJBB Cc1ccc(N[C@@H](OC(=O)N2CCCCC2)c2cccs2)c([N+](=O)[O-])c1 228962297 VSMISVFIDQLMMM-KRWDZBQOSA-N 375.450 4.698 5 40 GJBB O=C(CCCCCCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 1668674 SVTVDQUXOHBSSI-UHFFFAOYSA-N 384.388 4.909 5 40 GJBB CCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1 2302977 LPFTZYANQRCKJZ-UHFFFAOYSA-N 397.482 4.533 5 40 GJBB CCOC(=O)c1sc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C 4194701 IZRFMFYAKBHGFU-UHFFFAOYSA-N 390.442 4.608 5 40 GJBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1 5066784 UZQKPXFBKQPLGU-UHFFFAOYSA-N 381.395 4.603 5 40 GJBB Cc1cc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)ccc1Br 144511627 UUSULMUEEOXEIH-UHFFFAOYSA-N 375.178 4.664 5 40 GJBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1 225865719 HJWBZKPSSMQNDP-UHFFFAOYSA-N 383.448 4.619 5 40 GJBB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] 408628741 WUQGKEZRZMCOTD-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 4014304 OPTPSWQXXQGIFS-UHFFFAOYSA-N 398.419 4.808 5 40 GJBB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(=O)c3cccc(F)c3oc2c1 6660670 LAGWBWZBHVWODT-UHFFFAOYSA-N 397.789 4.756 5 40 GJBB C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 12750139 IMLOYHFQSHGRDR-CYBMUJFWSA-N 395.381 4.683 5 40 GJBB O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1ccccc1 408839241 PGKILRMGVLYHQP-MDWZMJQESA-N 384.800 4.807 5 40 GJBB O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(Cl)ccc1[N+](=O)[O-] 826984 YZVNDBMGEFVYRG-UHFFFAOYSA-N 377.787 4.614 5 40 GJBB aggregator Cc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 6522248 ZNZLYRWAXQPHCJ-NRFANRHFSA-N 375.380 4.684 5 40 GJBB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1[N+](=O)[O-] 14506043 WQQHYAVXHWROGK-UHFFFAOYSA-N 381.369 4.824 5 40 GJBB COc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2OC32CCCCC2)cc1 4887797 AHVCUSDAPFIPHK-FQEVSTJZSA-N 393.443 4.807 5 40 GJBB O=c1cc(-c2ccccc2)oc2cc(OCc3ccc([N+](=O)[O-])cc3)cc(O)c12 5528248 PJJHJONDNLLQMU-UHFFFAOYSA-N 389.363 4.653 5 40 GJBB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 12556392 FIKFHSQZRCXROC-NSHDSACASA-N 393.365 4.541 5 40 GJBB CC(C)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 27663226 NYOGBBMOEAJIDI-UHFFFAOYSA-N 375.428 4.960 5 40 GJBB CCc1cccc2c(C3=CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)c[nH]c12 36391038 WIOLQZSUYHLMLK-UHFFFAOYSA-N 375.428 4.568 5 40 GJBB O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccc([N+](=O)[O-])cc1Cl 40156355 VGVRLPHUXCHBDG-UHFFFAOYSA-N 396.834 4.700 5 40 GJBB O=[N+]([O-])c1ccc(Sc2nnc(NC3CCCCC3)s2)c2ccncc12 69432472 JDNNWVLYRHOJFB-UHFFFAOYSA-N 387.490 4.890 5 40 GJBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225067997 CQYLDRLPKXHSRB-UHFFFAOYSA-N 390.848 4.617 5 40 GJBB CC[C@H](C)n1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1 2402810 BRPSGZAFIVDTLP-AWEZNQCLSA-N 383.455 4.563 5 40 GJBB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 3011654 YLSLRAUBFMCJCE-VLVOFSMPSA-N 389.194 4.802 5 40 GJBB Nc1cc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)ccc1Cl 3513391 NFKZAZIFPHOAPO-UHFFFAOYSA-N 379.799 4.539 5 40 GJBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC1C2CC3CC(C2)CC1C3 59294629 SFZPUIYUGGAQAB-SOFGYWHQSA-N 392.455 4.809 5 40 GJBB O=C(Nc1ccc(Br)cc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 4784065 JULPNVKJDBWQRJ-UHFFFAOYSA-N 390.020 4.916 5 40 GJBB COc1ccc(NC(=O)/C(=C/c2cccs2)c2cccs2)c([N+](=O)[O-])c1 5518836 WTFUEXPPTGEDFB-SDNWHVSQSA-N 386.454 4.906 5 40 GJBB O=[N+]([O-])c1cc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)ccc1Cl 40169699 JOZJSVNAZCIYHI-UHFFFAOYSA-N 380.791 4.766 5 40 GJBB O=[N+]([O-])c1ccccc1Sc1ccc2c3c(cccc13)CN(CCCO)C2 1735573 GBBOQGPWHAEKNR-UHFFFAOYSA-N 380.469 4.597 5 40 GJBB CC(C)(C)c1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 2069207 PENJWJKAOZTORZ-YVLHZVERSA-N 384.819 4.890 5 40 GJBB O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 4688266 VEWQCPIGRMSBBI-AQTBWJFISA-N 391.408 4.626 5 40 GJBB c1ccc(-c2nn3c4cc(N5CCOCC5)ccc4nc3c3ccccc23)cc1 4739201 RJENBGLBRFQKRU-UHFFFAOYSA-N 380.451 4.539 5 40 GJBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(Cl)c(Cl)c3)nc12 10010549 USURDNYPGCZRKV-UHFFFAOYSA-N 398.227 4.772 5 40 GJBB CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[N+](=O)[O-])CC1 33002178 BPCSLJVYYBWSBF-UHFFFAOYSA-N 391.830 4.876 5 40 GJBB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 216437941 MOCXPJYMSXBYJX-QGZVFWFLSA-N 376.840 4.774 5 40 GJBB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1 4078852 JEDIMTDUYZJUIX-GXDHUFHOSA-N 386.407 4.786 5 40 GJBB CC(C)(C)c1ccc(C2=N/C(=C\C=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 4611321 XQPVUXIZTMQQFC-GIRMVSSCSA-N 376.412 4.793 5 40 GJBB CC1(C)c2cc(Br)ccc2N2Cc3cc([N+](=O)[O-])ccc3O[C@]21C 5261033 CYANKAZOJWWUIX-SFHVURJKSA-N 389.249 4.764 5 40 GJBB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 21125657 NJUFSAMZFYUFOL-UHFFFAOYSA-N 375.595 4.816 5 40 GJBB Cn1c2ccccc2c(=O)c2c1nc(-c1ccccc1)n1c3ccccc3nc21 6804517 SYBHBTZVFHBHPC-UHFFFAOYSA-N 376.419 4.555 5 40 GJBB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])o4)n3)oc12 10749646 CYYPGASHGCEAJP-UHFFFAOYSA-N 399.384 4.709 5 40 GJBB CCc1cc(N2CCc3sccc3[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 83820394 BQZUFLCNHQULCV-ZDUSSCGKSA-N 380.473 4.799 5 40 GJBB O=C(Nc1ccc(Br)cc1)c1cc2c(ccc3ccccc32)oc1=O 845983 LOMIIZGCZXOUQE-UHFFFAOYSA-N 394.224 4.961 5 40 GJBB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl 4836958 VTCJZSLVFCMTOQ-UHFFFAOYSA-N 394.774 4.704 5 40 GJBB CCC(CC)(NCn1cnc(-c2cccc([N+](=O)[O-])c2)n1)c1ccc(Cl)cc1 58364833 NEFGJLAOXBUIPK-UHFFFAOYSA-N 399.882 4.769 5 40 GJBB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408623921 VEZHGCIKPRJCHR-UHFFFAOYSA-N 393.399 4.702 5 40 GJBB O=[N+]([O-])c1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3c4ccccc4C[C@H]32)c1 408988628 FCIYTMMCQRATJY-HJNYFJLDSA-N 387.395 4.974 5 40 GJBB O=c1c2ccccc2nc(/C=C/c2ccco2)n1-c1ccc(Cl)cc1[N+](=O)[O-] 5500877 KZVSJPRYEIOXLL-CSKARUKUSA-N 393.786 4.711 5 40 GJBB CC1CCN(c2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2[N+](=O)[O-])CC1 5688509 XIZYHCODSTXHLN-FQEVSTJZSA-N 393.487 4.639 5 40 GJBB O=C(c1ccccc1)c1ccc(Sc2ccccc2C(=O)O)c([N+](=O)[O-])c1 6927288 GLZXCKHSDFEYPU-UHFFFAOYSA-N 379.393 4.675 5 40 GJBB Cc1ccc([N+](=O)[O-])c(OCCSc2ncnc3sc(C)c(C)c23)c1 1895278 ITXJKXHLXNULAH-UHFFFAOYSA-N 375.475 4.696 5 40 GJBB O=C(Cc1c(F)cccc1Cl)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 7641876 SMIDHFUENMHCGA-UHFFFAOYSA-N 391.811 4.692 5 40 GJBB CCc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1 408565949 DJJRAFBUGGKZGH-FQEVSTJZSA-N 396.516 4.865 5 40 GJBB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2618393 QPWBBZJRRWIMSR-VIFPVBQESA-N 393.877 4.977 5 40 GJBB O=C(Nc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 3145117 ZNEFXOJRUMKSTJ-UHFFFAOYSA-N 390.566 4.716 5 40 GJBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(Cl)cc1Cl 3183050 XEWYNGDVBMXJLA-LHHJGKSTSA-N 397.601 4.900 5 40 GJBB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c([N+](=O)[O-])c2)N3)C1 4545486 VDLOEIHCOXIVQR-QGHHPUGFSA-N 387.461 4.609 5 40 GJBB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1C 6044785 PMEFJBPHWYVDFF-UHFFFAOYSA-N 395.440 4.598 5 40 GJBB O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1 8470649 OGZZUMGNFWMJSH-UHFFFAOYSA-N 395.802 4.753 5 40 GJBB N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(C(F)(F)F)c1 2659144 MFSHFTGYVBDADK-QLPZLRLWSA-N 393.346 4.669 5 40 GJBB CCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccc(OC)cc2)n1 4181914 GKNDJGDFEOOWBX-UHFFFAOYSA-N 379.420 4.751 5 40 GJBB CC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 4536141 SQADXFSQJSCOMD-UHFFFAOYSA-N 384.775 4.963 5 40 GJBB C[N+]12CCC(CC1)[C@H](C(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 4812453 ZOURJSVVMXNTQS-AGZVZGQJSA-N 377.335 4.716 5 40 GJBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 5292648 MPYBHNRCEZRQMR-VIFPVBQESA-N 387.745 4.706 5 40 GJBB O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 6346242 OSRJIYZPXSNQBM-UHFFFAOYSA-N 395.846 4.790 5 40 GJBB O=c1c2ccccc2c2ncc(-c3ccc4c(c3)OCO4)c3c4ccccc4n1c23 6624367 XTDRWSIEHFNZGD-UHFFFAOYSA-N 390.398 4.988 5 40 GJBB biogenic C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 43548327 DLRZKCBAEXSFIH-CQSZACIVSA-N 397.431 4.861 5 40 GJBB