smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccccc1Cn1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)cn1 2756331 FKQJESGRUBUORK-UHFFFAOYSA-N 388.815 2.945 5 50 GFBA O=C(Cn1cnc2ccc(Br)cc2c1=O)c1cccc([N+](=O)[O-])c1 3124318 IBXGPHLSBNFELX-UHFFFAOYSA-N 388.177 2.950 5 50 GFBA C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(=O)Nc1nccs1 2838868 YIKXBXSRRLVAJU-SECBINFHSA-N 390.450 2.966 5 50 GFBA COc1cc(C(=O)/N=c2\[nH]c3ccc([N+](=O)[O-])cc3s2)cc(OC)c1OC 8970034 KCLUYSPAGZPQJU-UHFFFAOYSA-N 389.389 2.905 5 50 GFBA CC1(c2cc(N3CCN(C(=O)CCNc4ccccc4[N+](=O)[O-])CC3)[nH]n2)CC1 170599067 RMVKWAXGODAROJ-UHFFFAOYSA-N 398.467 2.520 5 50 GFBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1C(F)(F)F 1124186 DOLFGNNJWMKJBG-UHFFFAOYSA-N 393.277 2.848 5 50 GFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 4543471 NFDMPGCYBMLOGL-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc([N+](=O)[O-])c1O 35812710 JUVHKUXXJAYFMB-BJOHPYRUSA-N 393.396 2.669 5 50 GFBA C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H](c1ccccc1)N1CCCN12 19169148 HWDLCTYLUFEHHW-BBTUJRGHSA-N 392.415 2.521 5 50 GFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)C1 4770007 CEXXYGWFJUELEA-GFCCVEGCSA-N 391.880 2.922 5 50 GFBA CC(=O)c1cccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 1070191 BWDVSLPBMXJPGK-UHFFFAOYSA-N 381.186 2.704 5 50 GFBA Cc1ccsc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 4840113 YYXIHAJBWYUHTG-OAHLLOKOSA-N 394.474 2.794 5 50 GFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H](C)[C@H]3CCCO3)c([N+](=O)[O-])c2)C1 241446933 NPSRBIIIGJCNPA-HBUWYVDXSA-N 397.497 2.995 5 50 GFBA COc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1 4811002 RBFUWEFMMAOSCX-SFHVURJKSA-N 396.403 2.548 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)c1 6373296 MYEUDYAMONXVOF-UHFFFAOYSA-N 376.369 2.780 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccccc1)C1CCNCC1 725374597 SCSJTZBDPWKCQP-UHFFFAOYSA-N 375.450 2.538 5 50 GFBA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 956263 DJGWXIBGIWJUPJ-INIZCTEOSA-N 377.364 2.509 5 50 GFBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccc(F)cc2)CC1 1052541 XNSPWTXSMRMLOT-UHFFFAOYSA-N 397.362 2.803 5 50 GFBA CSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1121886 GHRKTYPOPBJPNM-UHFFFAOYSA-N 395.462 2.721 5 50 GFBA CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 687124 WUAOZMJVYZMPQK-GOSISDBHSA-N 397.387 2.932 5 50 GFBA COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 2078014 RVQOJOZHDGYLAM-UHFFFAOYSA-N 386.360 2.748 5 50 GFBA O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 22298773 NRHOQEVMXOKBJF-SFHVURJKSA-N 391.855 2.810 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)c(F)c1 1429869 RLXLZIMELAGLTP-UHFFFAOYSA-N 375.129 2.779 5 50 GFBA O=[N+]([O-])c1cc(I)c(O)c(I)c1 3861130 UVGTXNPVQOQFQW-UHFFFAOYSA-N 390.902 2.510 5 50 GFBA in-vitro CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1OC 229712769 RUXHUIFMSBJKNY-KGLIPLIRSA-N 379.457 2.852 5 50 GFBA COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(O)c1 170598346 WIKWAIFDGMPFIR-OAHLLOKOSA-N 394.767 2.607 5 50 GFBA O=C(CCn1ccc([N+](=O)[O-])n1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 6828575 VNDMJCNRRWDRRR-UHFFFAOYSA-N 384.440 2.942 5 50 GFBA COc1ccccc1N1CC2=C(C1=O)[C@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C 4784017 BJRYDWOJJLEOGL-SFHVURJKSA-N 394.387 2.600 5 50 GFBA O=C(NC1CCN(Cc2ccccc2)CC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3135786 RMEYVCIRIKUYMK-UHFFFAOYSA-N 384.392 2.897 5 50 GFBA O=C1C[C@@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc2ccccc12 100903052 HRCJDEHJZBBFEE-QGZVFWFLSA-N 376.372 2.997 5 50 GFBA N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1nonc1-n1cccc1 12360568 KENDKAHDAGGNPC-DVRCQMLRSA-N 382.361 2.824 5 50 GFBA Cc1ncc(C(=O)NC2(C3CCN(c4ncccc4[N+](=O)[O-])CC3)CC2)c(C)n1 1775990059 CGIDOOSXZGNOOA-UHFFFAOYSA-N 396.451 2.576 5 50 GFBA O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4678177 DOKAVOQXJYXHDM-UHFFFAOYSA-N 389.795 2.939 5 50 GFBA CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 1423521 VAWKOGNBSYCXNK-UHFFFAOYSA-N 378.410 2.547 5 50 GFBA C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@@H](C)O1 16184011 XNLLJNVXSYYCJK-GASCZTMLSA-N 397.497 2.773 5 50 GFBA CCN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)c4ccccc4c3=O)c2)CC1 4688315 XXXJXKSGGFFSNI-UHFFFAOYSA-N 393.447 2.744 5 50 GFBA Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 1140522 PQSFFUGUMSUDIK-UHFFFAOYSA-N 377.422 2.616 5 50 GFBA NC(=O)c1c(C(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 2952540 PYPBSPQHWIPYKZ-UHFFFAOYSA-N 390.377 2.795 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C)cc1 4917729 HRSGZMAFMKMEGM-AWEZNQCLSA-N 393.440 2.942 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1 4053471 QHQRGYZFXGGXOH-UHFFFAOYSA-N 379.413 2.553 5 50 GFBA O=C(NC[C@@H]1CCCO1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 825066 RITDKIGDDBYZOR-DYGKOUCMSA-N 395.415 2.661 5 50 GFBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@H](c2ccc(O)cc2)[C@@H]1[N+](=O)[O-] 36075334 ONVZBPNGXVPCMU-FZDBZEDMSA-N 387.392 2.800 5 50 GFBA COc1ccc2[nH]c([C@@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 225548054 ICVJMFOWXISUSV-LLVKDONJSA-N 390.421 2.828 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 2779178 HXNMMHAWXNUKLD-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc(-n2cccn2)n1 126565987 YCMRNBQFKBAPGB-UHFFFAOYSA-N 375.348 2.818 5 50 GFBA O=c1[nH]c(NCc2ccnc(OCC(F)(F)F)c2)nc2ccc([N+](=O)[O-])cc12 225538439 RCDMSZJAMZEVTR-UHFFFAOYSA-N 395.297 2.780 5 50 GFBA O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 19790008 CBUFPTTWGUUFPL-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@@H]21 132788770 JVOLZEDGQWZJFU-AAEUAGOBSA-N 398.257 2.700 5 50 GFBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)c(OC)c1 10060071 ICKPGJREGDSDOJ-UHFFFAOYSA-N 377.309 2.781 5 50 GFBA C=CC(=O)N1CCC(C(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)CC1 1875382841 UBJNSEVUWPDIQS-UHFFFAOYSA-N 382.214 2.720 5 50 GFBA COc1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC 4834508 YQFSMKLOBQNDOK-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 16052821 QTCFYQHZJIIHBS-UHFFFAOYSA-N 395.419 2.529 5 50 GFBA in-vitro O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 4507006 WPPYHSVRHHNAQE-UHFFFAOYSA-N 377.784 2.861 5 50 GFBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 239432845 WPHRMBDUDSNPAX-AJABAVSMSA-N 389.205 2.915 5 50 GFBA CCn1cc(S(=O)(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])n1 1475033607 QZZMGVAVMZAHFA-CQSZACIVSA-N 386.380 2.519 5 50 GFBA O=C(CNCc1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(Cl)c2)CC1 111402993 GTPMFVKHORZPAU-UHFFFAOYSA-N 388.855 2.687 5 50 GFBA C[C@@H]1CN(Cc2ccccn2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 225390728 YFEGGCHKRPADTJ-OAHLLOKOSA-N 391.431 2.885 5 50 GFBA Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 3001706 XHCKYZDHCGVVNV-UHFFFAOYSA-N 386.364 2.900 5 50 GFBA CC(C)(C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(O)cc1 773727936 FNNODKNFVBRJAV-UHFFFAOYSA-N 376.340 2.899 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1nccn1-c1ccc(F)cc1 952890640 FQMICTIYIIPWOC-CQSZACIVSA-N 384.371 2.866 5 50 GFBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 35832839 CAXBMMDDYJGQBV-SFHVURJKSA-N 397.387 2.980 5 50 GFBA C[C@](O)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 170596238 YLIRTIQFPZSFSF-INIZCTEOSA-N 379.756 2.794 5 50 GFBA CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 812014 ZKFSOTRFUFUSTP-UHFFFAOYSA-N 386.408 2.745 5 50 GFBA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 1132190 CPBJBXUAFDBMSO-UHFFFAOYSA-N 389.433 2.940 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252461185 LCYPYTJALPJIBU-VQBRPFBUSA-N 383.556 2.869 5 50 GFBA biogenic Cc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 4302969 PIGIRUUYSICALP-IAGOWNOFSA-N 387.417 2.515 5 50 GFBA O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 896839060 SZBBRJYAMCYFMB-ZCFIWIBFSA-N 376.171 2.534 5 50 GFBA O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1nc(Cl)c(Cl)cc1Cl 170609633 PJLLHRBKVXUEIN-UHFFFAOYSA-N 379.591 2.968 5 50 GFBA COc1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)c([N+](=O)[O-])c1 15919231 VJCFQUJVJCHNHY-UHFFFAOYSA-N 386.393 2.514 5 50 GFBA O=C1C[C@H](NNc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc2ccccc12 4247726 HRCJDEHJZBBFEE-KRWDZBQOSA-N 376.372 2.997 5 50 GFBA O=C(NC1CCCCC1)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 20388129 PXDVRZDNNCNBGC-UHFFFAOYSA-N 390.484 2.792 5 50 GFBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 247808032 AXZHCJRDERESNG-JLZZUVOBSA-N 376.409 2.767 5 50 GFBA O=C(O)COc1ccc(CCNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 262703525 CSEQDQFRAUGZJU-UHFFFAOYSA-N 399.403 2.605 5 50 GFBA C[C@H](c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)N1CCOCC1 241644616 PSFFEFQJQYXKHX-OAHLLOKOSA-N 387.443 2.698 5 50 GFBA COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 2423399 ZDHUVKUNULUHPU-KRWDZBQOSA-N 380.356 2.893 5 50 GFBA Cn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc([N+](=O)[O-])cc1 2835539 SZRZBNHGNCPIDR-UHFFFAOYSA-N 375.454 2.931 5 50 GFBA CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 229716790 CCARUKSCKPYHRS-PVUWLOKVSA-N 375.425 2.973 5 50 GFBA CC[C@@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754953 QBSAUYUTRCTFEZ-ACJLOTCBSA-N 395.415 2.717 5 50 GFBA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 952894288 YVZAXUQCBARNES-UHFFFAOYSA-N 398.398 2.867 5 50 GFBA O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)COCC2 2325780783 OULBWCYTABEXEK-GOSISDBHSA-N 382.372 2.630 5 50 GFBA Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c12 2792492 BEDHVRDJNYEWPZ-UHFFFAOYSA-N 382.405 2.924 5 50 GFBA O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 5889215 WCQWQZOVJJNSML-UHFFFAOYSA-N 384.440 2.942 5 50 GFBA CC(=O)N(c1ccc(Nc2ncc([N+](=O)[O-])c(=NC3CC3)[nH]2)cc1)[C@H]1C[C@H]1C 2325703905 KYPSDHOYWAQSIH-BZNIZROVSA-N 382.424 2.886 5 50 GFBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)Cc1ccccc1 4687451 AGNMOSXKDSKQJO-OAHLLOKOSA-N 375.450 2.635 5 50 GFBA COC(=O)c1nc2cc3c(cc2c2ccn(CC(F)(F)F)c(=O)c12)OCO3 1395100 OIKKMICQELNSJG-UHFFFAOYSA-N 380.278 2.627 5 50 GFBA C[C@H](NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 252457251 RCXPUXUTCOORBH-KBRXKUPHSA-N 385.420 2.520 5 50 GFBA O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4521530 LFZGBNATHRHOKZ-KRWDZBQOSA-N 399.403 2.516 5 50 GFBA in-vitro COc1cc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc([N+](=O)[O-])c1 1068960 PCVRIKFKYMZQCY-UHFFFAOYSA-N 378.295 2.539 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 253487495 LCYPYTJALPJIBU-IKZZQROLSA-N 383.556 2.869 5 50 GFBA biogenic CCOC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(C)=O)cc1 4801810 MDKBTTQGGDPKMY-LDADJPATSA-N 397.387 2.887 5 50 GFBA O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccccc2)CC1 6918938 LSGPQFHQDJOLMI-UHFFFAOYSA-N 384.439 2.810 5 50 GFBA Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nnc1-c1ccccc1 4829138 QLBSSUWMHDTBEM-UHFFFAOYSA-N 385.405 2.827 5 50 GFBA Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1112598 VUVDBIXVPDYQCN-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 6526611 JESBNCXSBZDBRU-UHFFFAOYSA-N 386.433 2.876 5 50 GFBA Cc1[nH]c2nc(NCc3cccc([N+](=O)[O-])c3)nn2c(=O)c1Cc1ccccc1 100281032 BFGJUXBPMWBUCZ-UHFFFAOYSA-N 390.403 2.837 5 50 GFBA COc1ccc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)c([N+](=O)[O-])c1 14152348 YUPWNOFXSMEIDW-UHFFFAOYSA-N 375.366 2.712 5 50 GFBA Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n(Cc3ccccc3)cc2n(C)c1=O 4828582 YSGIJZMMFUTWHL-UHFFFAOYSA-N 390.399 2.662 5 50 GFBA O=[N+]([O-])c1ccc(NCCNc2nc(N3CCOCC3)nc3ccccc23)cc1 4688317 ULMLAWWSLBDCOE-UHFFFAOYSA-N 394.435 2.899 5 50 GFBA O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1F 2744126 ZSSJMBHOAOTVJU-LBPRGKRZSA-N 384.360 2.571 5 50 GFBA Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-] 19866178 ISWVUYGWTNZQPZ-UHFFFAOYSA-N 383.404 2.590 5 50 GFBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 239328981 JYWITWNOMPNEIU-MUAIWGBPSA-N 389.205 2.915 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 252461180 LCYPYTJALPJIBU-DQOPXIGXSA-N 383.556 2.869 5 50 GFBA biogenic CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 656562 MMCACBHXDQPNIA-UHFFFAOYSA-N 391.449 2.504 5 50 GFBA Cc1cc(C)cc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 1129804 XPPCEUZUDQSVQO-UHFFFAOYSA-N 391.449 2.925 5 50 GFBA Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1C 1217546 KXUSIJCDUDTBCE-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1[N+](=O)[O-] 101033842 NELMJURKBWYMHB-BPNCWPANSA-N 391.811 2.748 5 50 GFBA Cc1cc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)n(Cc2ccc(F)cc2)n1 1430660 SBIZBRSUCPTPLM-UHFFFAOYSA-N 386.387 2.903 5 50 GFBA COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccccc1[N+](=O)[O-] 4072879 LSFNAWQHIJTFHC-UHFFFAOYSA-N 384.797 2.531 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(F)c1 4053464 JJWRKLDZDCNDKN-UHFFFAOYSA-N 399.831 2.898 5 50 GFBA CCC[C@]1(C)C(=O)NCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 189806565 YJVNKNMAZNSJHV-GOSISDBHSA-N 388.449 2.849 5 50 GFBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 4703878 ZKDWJLGSYKOOJD-UHFFFAOYSA-N 388.424 2.571 5 50 GFBA COc1cccc(C(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 2995740 PEOIWXNEGOQFRX-UHFFFAOYSA-N 386.360 2.748 5 50 GFBA CCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100627743 XBBBRIKSBSHYDI-AWEZNQCLSA-N 387.443 2.640 5 50 GFBA O=C(O)C1C(c2ccc([N+](=O)[O-])cc2)C(C(=O)O)C1c1ccc([N+](=O)[O-])cc1 22016469 YZMGEYUTZIBOCC-UHFFFAOYSA-N 386.316 2.786 5 50 GFBA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5008670 ZWLGPSHMODGGRF-SFHVURJKSA-N 397.387 2.845 5 50 GFBA Cc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 1112573 KWBMPWBQCODCFB-UHFFFAOYSA-N 377.422 2.616 5 50 GFBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157525 GNWWSIXGVBYUDK-UHFFFAOYSA-N 381.348 2.672 5 50 GFBA O=C(CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)Nc1nccs1 4165942 YGURKWLVYCTAII-UHFFFAOYSA-N 396.384 2.829 5 50 GFBA COC(=O)c1cc(N2CCOC[C@@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] 229865961 YLBBASGDYUZGAP-XJKSGUPXSA-N 392.433 2.772 5 50 GFBA CCOc1ccc(NC(=S)NC(=O)c2c(Cl)cnn2CC)c([N+](=O)[O-])c1 5585577 KXXNIZRBKQOOIN-UHFFFAOYSA-N 397.844 2.990 5 50 GFBA COc1ccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 19559850 FUIVPDUOQWOKJG-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA C[C@H](O)C[C@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 252496908 PUVMCLBUWGPKEY-CMPLNLGQSA-N 394.815 2.515 5 50 GFBA CCOc1c([N+](=O)[O-])cc2c(C)c(C(=O)N3CCOCC3)oc2c1OCC 754142 WDHVOCMAKMILAZ-UHFFFAOYSA-N 378.381 2.919 5 50 GFBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCO1)c1cccs1 1165433 VEYODNZDGXEVSY-LBPRGKRZSA-N 375.406 2.817 5 50 GFBA CO[C@]1(C)C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C 170646214 IUJNQMFUPPEYIB-FXAWDEMLSA-N 391.468 2.707 5 50 GFBA COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 881994 PPJRULYGGLGHRP-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA O=C(NCCCN(C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1)C(F)(F)F 4725173 MXVJWXSUEDQBOY-UHFFFAOYSA-N 387.236 2.559 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCCO)[C@H]1CCc2ccccc21 248467511 SWGMWUOWBQGZSL-MJGOQNOKSA-N 386.448 2.706 5 50 GFBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 4851779 JWKCPTIKJBKWQF-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 1115652 AIJPORYYCTUIJF-UHFFFAOYSA-N 380.378 2.581 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1136459 ORZZKRDJZAHAGR-UHFFFAOYSA-N 389.433 2.940 5 50 GFBA COc1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cc(OC)c1OC 999368 VUGYYZSJFNYWSE-UHFFFAOYSA-N 380.328 2.777 5 50 GFBA Cc1ccccc1Cn1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)n1 647400 SVCKQSBVIWDHRP-UHFFFAOYSA-N 388.815 2.945 5 50 GFBA COc1ccc(-n2nc([N+](=O)[O-])c(NCCc3ccc(Cl)cc3)[n+]2[O-])cc1 4813627 LNDSKDDVAYHLKC-UHFFFAOYSA-N 389.799 2.731 5 50 GFBA C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)C1 252444436 BOSADZCWSQSUPB-QLFBSQMISA-N 397.497 2.852 5 50 GFBA CCOc1ccc2nc(SCC(=O)Nc3nonc3[N+](=O)[O-])sc2c1 10059978 NIBOVILJZCDBNT-UHFFFAOYSA-N 381.395 2.717 5 50 GFBA COc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] 1134009 LUOGEDHUCAGCRK-INIZCTEOSA-N 388.420 2.732 5 50 GFBA CC(C)(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@H]34)[C@H]2C1=O 245234496 BGEBNCFBGNHABL-BWVIJFMTSA-N 383.408 2.569 5 50 GFBA CCCCN(CCCC)C(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)OCC 71767321 BYLHOIMGLNEIIS-ICFOKQHNSA-N 386.474 2.944 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5073791 SPJUXAWQVCIYDC-KRWDZBQOSA-N 389.433 2.695 5 50 GFBA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 4580707 CDEBSDOGADQHIH-AWEZNQCLSA-N 388.376 2.948 5 50 GFBA CN(C)CC(C)(C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 225832543 ADDKKRPVONUHDO-UHFFFAOYSA-N 384.285 2.768 5 50 GFBA COc1ccc(-n2nc(O)c3[nH]c4cc(Cl)ccc4c(=O)c3c2=O)c(C)c1 600487 PSTDMIAVUUYOOQ-UHFFFAOYSA-N 383.791 2.903 5 50 GFBA in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 2883616 JYOLQZVQYLAADB-UHFFFAOYSA-N 383.360 2.618 5 50 GFBA CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1178221 WKJZCIUQGLBDOR-UHFFFAOYSA-N 377.422 2.781 5 50 GFBA O=C(CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 4820788 DDJXVFIVYAUCLA-MRXNPFEDSA-N 399.428 2.989 5 50 GFBA Cc1ccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 2811595 NNNHHINKYBKSLC-UHFFFAOYSA-N 376.409 2.858 5 50 GFBA CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] 229716781 CCARUKSCKPYHRS-NUTKFTJISA-N 375.425 2.973 5 50 GFBA O=[N+]([O-])c1ccc(OC2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1 170642512 GXJPBPBPASTTLC-UHFFFAOYSA-N 383.470 2.559 5 50 GFBA CC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 777976 DFSNYFIXFWVLLH-VIFPVBQESA-N 385.660 2.714 5 50 GFBA COc1ccc(OC)c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 1430645 GKIZGVJXLFGFLL-UHFFFAOYSA-N 399.201 2.518 5 50 GFBA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1[N+](=O)[O-] 1126105 GXQQRRMMKGWATJ-UHFFFAOYSA-N 389.433 2.940 5 50 GFBA Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 4854905 HWYGEDAFVINHOD-INIZCTEOSA-N 388.445 2.733 5 50 GFBA CN1CCN(c2cc(C(F)(F)F)cnc2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1401437 PQVMMGQOKSEWDJ-UHFFFAOYSA-N 394.353 2.991 5 50 GFBA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 4918809 JEDLIXQUOPUWGC-UHFFFAOYSA-N 392.389 2.570 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cc1 4748886 VTBBPHBLRQUXGT-UHFFFAOYSA-N 395.868 2.900 5 50 GFBA CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 4844845 RGIBTVLGQIQDQP-GJZGRUSLSA-N 397.497 2.629 5 50 GFBA Cc1ccc(CC(=O)N2CCC(O)(CNc3ccccc3[N+](=O)[O-])CC2)cc1 1775993240 YHEPLQYZLVTHJS-UHFFFAOYSA-N 383.448 2.911 5 50 GFBA CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc(C)c1C 994545 XGKFRJNSXUARSY-UHFFFAOYSA-N 380.426 2.902 5 50 GFBA COc1ccccc1OCCNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] 4131968 QTIJSNPVKDJKPJ-UHFFFAOYSA-N 386.452 2.846 5 50 GFBA Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N(CCO)CCO)cc1Cl 4881504 YXDKJKGKXCBIKL-UHFFFAOYSA-N 393.827 2.600 5 50 GFBA CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C 1426696 OSFIAMBQVBOIAH-UHFFFAOYSA-N 380.788 2.877 5 50 GFBA CCOC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCCCC2 4698572 FMWIIJHPRRLRCM-UHFFFAOYSA-N 392.437 2.937 5 50 GFBA C[C@H](c1ccsc1)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 185477158 GUXAJHLOUVNUEW-GFCCVEGCSA-N 385.449 2.776 5 50 GFBA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 1145535 SPGKYCDEGCDSEZ-UHFFFAOYSA-N 391.449 2.779 5 50 GFBA CCOCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1745377 JAYNFDZGKCKCSR-UHFFFAOYSA-N 388.376 2.806 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 668678 VCGDAIVFCUMTMK-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA COc1ccc(N(C2CSC2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 4868074 BCVNCRQCJLEGOW-UHFFFAOYSA-N 380.447 2.914 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccc(O)cc2)CC1 6397734 RWYSMFJULDFADJ-UHFFFAOYSA-N 388.449 2.828 5 50 GFBA O=C(CNC(=O)c1ccc(Br)cc1)OCc1ccc([N+](=O)[O-])cc1 1136656 SSPQGZZRAOOOTI-UHFFFAOYSA-N 393.193 2.831 5 50 GFBA CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 239722302 CCARUKSCKPYHRS-MJEQTWJJSA-N 375.425 2.973 5 50 GFBA CC(C)(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C1=O 245234497 BGEBNCFBGNHABL-UHAWRJBMSA-N 383.408 2.569 5 50 GFBA CC(C)CNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1128424 PIUPMPIZWNARNQ-UHFFFAOYSA-N 377.422 2.781 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1 19842619 WIYBMMXLBGGXJL-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA CCC(=O)c1ccc(NCc2cccc(-n3cc(CN)nn3)c2)c([N+](=O)[O-])c1 1875309527 AZDYVCPHSUIYDA-UHFFFAOYSA-N 380.408 2.839 5 50 GFBA COc1ccc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])cc1OC 4344179 FNPQQLNNZBRUCA-UHFFFAOYSA-N 386.452 2.676 5 50 GFBA O=C(Oc1coc(CSc2ncccn2)cc1=O)c1ccc([N+](=O)[O-])cc1 4377282 UASIRTUMPRQVFY-UHFFFAOYSA-N 385.357 2.850 5 50 GFBA in-vitro Cc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 4873435 XBVPFNAOUCLKHP-UHFFFAOYSA-N 379.413 2.553 5 50 GFBA O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 1122264 HVDFKWUECQWOEJ-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 1427898 XVZNZOSYGZCQCY-GFCCVEGCSA-N 394.339 2.616 5 50 GFBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)c2nonc12 13153222 BJJUETIRJVEVLQ-UHFFFAOYSA-N 384.352 2.612 5 50 GFBA CS(=O)(=O)c1ccc(SCC(=O)OCc2ccccc2)c([N+](=O)[O-])c1 957046 ZELKHCUPSNVBBW-UHFFFAOYSA-N 381.431 2.834 5 50 GFBA O=c1c2cc3c(=O)n(C[C@@H]4CCCO4)ccc3nc2ccn1Cc1ccccc1 40398781 RAKNBICRXAROJC-KRWDZBQOSA-N 387.439 2.939 5 50 GFBA O=C(COc1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cn1 4842460 WOLTWGUUJLRMHS-UHFFFAOYSA-N 399.144 2.612 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(Cl)c1 4455743 RPUGIHOVUDERLG-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA CNC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1 1140963 UNVDWTNTXXDNKQ-UHFFFAOYSA-N 383.433 2.740 5 50 GFBA C[C@@H](O)C[C@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 252496911 PUVMCLBUWGPKEY-ZYHUDNBSSA-N 394.815 2.515 5 50 GFBA O=C(NC(=S)N(CC1CCC1)C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 1067267 LNAUEMNSCSWIKP-INIZCTEOSA-N 377.466 2.891 5 50 GFBA Cc1cc(F)c(NC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 252494956 OJBWEYHPJCGPJI-HNNXBMFYSA-N 390.371 2.948 5 50 GFBA NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)cc1 1144966 KEFFVPXBHIXNTM-NTEUORMPSA-N 390.193 2.614 5 50 GFBA C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 252010185 ROMALMYWVULERQ-YOEHRIQHSA-N 385.420 2.544 5 50 GFBA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc([N+](=O)[O-])c2)C3)cc1 6668409 ABMVSCUNHDTQIG-GOSISDBHSA-N 394.387 2.600 5 50 GFBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1149736 JZKNWBSFMBMVBU-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2Cl)CC1 19851088 RNANTQZKDADKDO-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 1201949 GSUCXRIRICNJGN-QGZVFWFLSA-N 382.376 2.870 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1nccn1Cc1ccccc1 952890505 BHDPFQKDNSLHBC-HNNXBMFYSA-N 380.408 2.786 5 50 GFBA COc1cc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(OC)c1O 97966157 OUZLLAKEIKMUKZ-UHFFFAOYSA-N 387.436 2.635 5 50 GFBA Nc1ccc(Br)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 2325748290 RRNKLTFLYQKIMP-UHFFFAOYSA-N 394.181 2.735 5 50 GFBA COc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 3461536 NXTUXHITSWLWIU-UHFFFAOYSA-N 389.389 2.737 5 50 GFBA C[C@H](c1cccnc1)N1CCN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])CC1 301297359 PRYUBJJHDVQWNL-CYBMUJFWSA-N 380.408 2.522 5 50 GFBA C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1117813 HDHARYJBDBHLDQ-JTQLQIEISA-N 383.813 2.554 5 50 GFBA COC(=O)c1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCC2 4689619 LSYBKMBKROHJPT-UHFFFAOYSA-N 378.410 2.547 5 50 GFBA COc1ccc(NC(=S)NC(=O)c2c(OC)cccc2OC)cc1[N+](=O)[O-] 1113234 KLLYUXRPWCMTQC-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA CCOCCN1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@@H]1CC 170613114 ZUYLYRLLVZKNIR-HNNXBMFYSA-N 379.457 2.627 5 50 GFBA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 2092028 URKJZVFGVNLMHC-MRXNPFEDSA-N 391.380 2.637 5 50 GFBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 20311858 FMVWEOAJEFFOEM-HNNXBMFYSA-N 387.411 2.846 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1nccn1-c1ccc(F)cc1 952890634 FQMICTIYIIPWOC-AWEZNQCLSA-N 384.371 2.866 5 50 GFBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1c(F)cc(F)cc1Br 826474 UOHJLZADVDCLMR-UHFFFAOYSA-N 375.129 2.779 5 50 GFBA CC[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754954 QBSAUYUTRCTFEZ-UGSOOPFHSA-N 395.415 2.717 5 50 GFBA O=C(N[C@H]1CCC(F)(F)[C@@H]1O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1875299807 WSFUGPXIWNRIGT-WMLDXEAASA-N 394.324 2.848 5 50 GFBA O=C(NCCCN=c1[nH]cnc2ccc([N+](=O)[O-])cc12)c1cccc2c1CCC2 408517870 OHNNTGRJTMDMHY-UHFFFAOYSA-N 391.431 2.681 5 50 GFBA Cc1cc(C(=O)COC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)cc(C)c1F 1875260914 LTAHYQADTDASAZ-UHFFFAOYSA-N 398.350 2.971 5 50 GFBA COC(=O)[C@@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 170597036 TVDINLJVIXTQJF-SFHVURJKSA-N 389.383 2.875 5 50 GFBA COc1cccc(C(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4834054 ICUCYJPFBNVXFE-UHFFFAOYSA-N 386.360 2.748 5 50 GFBA COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1cccc([N+](=O)[O-])c1 20606351 PBVFKYFRFXPQHP-RDJZCZTQSA-N 390.417 2.971 5 50 GFBA O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 5014738 KVJVQCCENFOCJC-UHFFFAOYSA-N 378.841 2.965 5 50 GFBA COc1cccc(OC)c1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19774092 WEQTVRLYFDPABL-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=C(CN(Cc1ccccc1)C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 1875256166 VLNOTRFODWIXOJ-UHFFFAOYSA-N 394.475 2.908 5 50 GFBA O=c1c2c3c(sc2nc2c4ccccc4c(N4CCOCC4)nn12)CCC3 952406 XTNMKCPXZCMVQE-UHFFFAOYSA-N 378.457 2.783 5 50 GFBA CCn1nccc1[C@@H](C)NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2805361 HECDHIXVOXJAOP-CYBMUJFWSA-N 384.396 2.535 5 50 GFBA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 2853747 GVEDFEMFXPMIGV-CYBMUJFWSA-N 377.422 2.517 5 50 GFBA CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1 4328523 WXXVMSJTNLTDBK-UHFFFAOYSA-N 380.400 2.861 5 50 GFBA Cn1c(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)cc2ccccc21 409413980 XYBWITGTGQNMRH-DZGCQCFKSA-N 392.415 2.508 5 50 GFBA O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccc2c(c1)COCC2 2325780784 OULBWCYTABEXEK-SFHVURJKSA-N 382.372 2.630 5 50 GFBA Nc1nc(N[C@H]2CC[C@H](NC(=O)C3CCCCCC3)CC2)ncc1[N+](=O)[O-] 1775986805 BIIPCDZVGBGJIK-HDJSIYSDSA-N 376.461 2.777 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(Cl)c1 4688049 GKHHEHLKPXTSBP-UHFFFAOYSA-N 399.831 2.898 5 50 GFBA C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)C1 4770009 CEXXYGWFJUELEA-LBPRGKRZSA-N 391.880 2.922 5 50 GFBA C[C@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1111847 YWQMNRUWWANENM-NSHDSACASA-N 397.362 2.698 5 50 GFBA CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 2854677 PGJVVAKFMYQFEG-UHFFFAOYSA-N 391.449 2.870 5 50 GFBA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2841749 KGWBSFXDFXLTBT-UHFFFAOYSA-N 387.373 2.755 5 50 GFBA COC(=O)c1cc(Oc2ccc(C(=O)OC)cc2[N+](=O)[O-])cc(C(=O)OC)c1 1085072 NZUIFJUDFWPJPN-UHFFFAOYSA-N 389.316 2.747 5 50 GFBA O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1134458 VCSTWVHUSOEEKW-UHFFFAOYSA-N 397.387 2.814 5 50 GFBA Cc1nc(N2Cc3cnn(-c4ccncc4)c3CC(C)(C)C2)ncc1[N+](=O)[O-] 952895730 WYXBFABHIIWJPX-UHFFFAOYSA-N 379.424 2.863 5 50 GFBA Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])c1 4615437 IQLZSWDXTDJRRD-UHFFFAOYSA-N 384.421 2.918 5 50 GFBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 247938645 WBKPWTDSOJYJKG-FMKPAKJESA-N 397.497 2.629 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCCc3ccccc3)CC2)cc1 35073507 CMJDIUGAIQMYEE-UHFFFAOYSA-N 389.477 2.534 5 50 GFBA COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1O 170610497 CVVPYTKVRRRLGZ-UHFFFAOYSA-N 398.368 2.644 5 50 GFBA O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1 1141138 GNCMUAIIAQFMMG-UHFFFAOYSA-N 389.795 2.973 5 50 GFBA O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])c(O)cc(c34)C2=O)cc1 1072068 GYGXHUBBHPKQNQ-UHFFFAOYSA-N 378.296 2.952 5 50 GFBA CCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 1112450 PBDQHNQBLOFSPW-UHFFFAOYSA-N 377.422 2.562 5 50 GFBA O=C(c1cncc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4758600 FEBUCNQYJBPXMG-UHFFFAOYSA-N 391.225 2.715 5 50 GFBA C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@H](C)O1 4844545 XNLLJNVXSYYCJK-GJZGRUSLSA-N 397.497 2.773 5 50 GFBA Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)O 4624237 PWRCOFPQHNKLSM-UHFFFAOYSA-N 380.429 2.508 5 50 GFBA CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 1163433 WOBYFAXGPKAFGC-UHFFFAOYSA-N 383.813 2.507 5 50 GFBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OCC)c([N+](=O)[O-])c1 4825207 SXUNZFXBBOZKQD-OAHLLOKOSA-N 393.396 2.583 5 50 GFBA Nc1cc(O)c([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2cccs2)CC1 170597833 KNTOZTKUYCSREI-UHFFFAOYSA-N 390.465 2.586 5 50 GFBA O=C1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H]1c1ccccc1F 170594194 ARQCPVKSQVYVHM-OAHLLOKOSA-N 377.759 2.701 5 50 GFBA O=C(CSc1nnnn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 1130897 UMKYDKNDEPRTIS-UHFFFAOYSA-N 390.812 2.955 5 50 GFBA COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 4686839 YFALPXAGCFLCCK-UHFFFAOYSA-N 378.410 2.547 5 50 GFBA CCOc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 1089634 JGIPUENMOZNSDV-UHFFFAOYSA-N 394.449 2.913 5 50 GFBA Nc1ncnc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-] 20386880 IZYSWWBCOARXAT-UHFFFAOYSA-N 390.447 2.879 5 50 GFBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 43827738 CQZGZCAGOSAFCA-LBPRGKRZSA-N 379.413 2.875 5 50 GFBA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4594613 CSRLMEWYWKDXQG-OAHLLOKOSA-N 388.376 2.948 5 50 GFBA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 239328980 JYWITWNOMPNEIU-JSBGKLSNSA-N 389.205 2.915 5 50 GFBA CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1137079 SXOFLJHTZPDBHZ-UHFFFAOYSA-N 377.422 2.562 5 50 GFBA CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)c2ccccc21 4264099 ZLXFOIIYLZXQLB-UHFFFAOYSA-N 379.420 2.651 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ncccc12 4406371 NVOPFPCMVCHXKJ-UHFFFAOYSA-N 398.444 2.654 5 50 GFBA O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc2c(c1)OCO2 52537677 OBJJDVZVLHYNCQ-UHFFFAOYSA-N 383.404 2.719 5 50 GFBA COCCCOCC(=O)N[C@H]1CC[C@H](Nc2cccc(F)c2[N+](=O)[O-])CC1 1775986812 CXRWTAYLOUDLBN-HDJSIYSDSA-N 383.420 2.626 5 50 GFBA Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 1117640 WGRGKGATBLSOQA-UHFFFAOYSA-N 391.449 2.925 5 50 GFBA CSc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 1137239 KZVGKHKLUFAXPT-UHFFFAOYSA-N 395.462 2.721 5 50 GFBA O=C(NC[C@H]1CCCO1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 825064 RITDKIGDDBYZOR-UIMCMNAESA-N 395.415 2.661 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3cc(C)c([N+](=O)[O-])cc3F)CC2)cc1 5090768 ZYPLNSKTYUKOKS-UHFFFAOYSA-N 393.440 2.862 5 50 GFBA O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2n[nH]cc2I)C1 1875339917 COYMKMUAQSRKKZ-SECBINFHSA-N 399.192 2.702 5 50 GFBA COc1cc(C(=O)N2CCN(c3ccccc3F)CC2)c([N+](=O)[O-])cc1OC 1139824 WWQGPCZPSIRUIF-UHFFFAOYSA-N 389.383 2.714 5 50 GFBA COc1ccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1 4740544 DXRJLBPYHDGTSQ-UHFFFAOYSA-N 378.406 2.547 5 50 GFBA CCOc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 16700017 FFUGGXJKOSFECQ-LFIBNONCSA-N 394.412 2.673 5 50 GFBA CCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100642258 BMKGPFYHMVCWLJ-UHFFFAOYSA-N 393.491 2.910 5 50 GFBA CNc1cc(N2CCN(C(=O)c3cccc(C)c3OC)CC2)ccc1[N+](=O)[O-] 4739202 YKYMVOAVGFINPJ-UHFFFAOYSA-N 384.436 2.916 5 50 GFBA COCCN1CCn2c(nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc32)C1 20419501 XVBRSWCFJIDVBH-UHFFFAOYSA-N 395.419 2.659 5 50 GFBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4740929 AQAVSIABZAPDTG-INIZCTEOSA-N 390.484 2.880 5 50 GFBA Cc1nn(C)cc1CNC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 5697228 LFUXQCXDXRKMTD-UHFFFAOYSA-N 398.467 2.689 5 50 GFBA Cc1cc2nc3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n3c2cc1C 714512 LHHFUSIGJRVHQZ-FMQZQXMHSA-N 395.396 2.711 5 50 GFBA Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cccc([N+](=O)[O-])c2)c1C(N)=O 2741477 UGSZMBVGVVUBOO-UHFFFAOYSA-N 391.405 2.881 5 50 GFBA COCCOc1ccc(Cl)cc1-c1noc(Cn2ccc([N+](=O)[O-])n2)n1 273840692 MSWDZLVTFRDYDH-UHFFFAOYSA-N 379.760 2.568 5 50 GFBA COc1ccc([C@H]2OCC[C@@H]2NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)cn1 225431795 WUMPRQQBCMUSNF-MAUKXSAKSA-N 382.376 2.740 5 50 GFBA CN(C)S(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F 1875389385 MRKXPTLORNUYSM-UHFFFAOYSA-N 382.373 2.628 5 50 GFBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCCC1 1113212 QSSDRHLLSIWOGK-UHFFFAOYSA-N 378.388 2.594 5 50 GFBA C[C@H](c1ccccc1)N1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1 229766817 ORGNRXAOFFNACF-GDBMZVCRSA-N 379.420 2.850 5 50 GFBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 20311854 FMVWEOAJEFFOEM-OAHLLOKOSA-N 387.411 2.846 5 50 GFBA O=C(O)C[C@H](NS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686941 LXGWWTWJNYCXST-HNNXBMFYSA-N 398.824 2.884 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 4310113 AMYFRWPWHZTLTJ-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA Cc1cc(O)c(C2=NCCS[C@H](c3cc([N+](=O)[O-])ccc3O)C2)c(=O)o1 17730048 IZJSLDTVBGQTCL-HNNXBMFYSA-N 376.390 2.935 5 50 GFBA CC[C@H](C)n1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 100628114 AEMJXYGRVGVPFK-ZDUSSCGKSA-N 391.431 2.623 5 50 GFBA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 9087575 DWOWUBGTXLNIRC-UHFFFAOYSA-N 377.403 2.860 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)C[C@H]2C)cc1 16264795 HRSGZMAFMKMEGM-CQSZACIVSA-N 393.440 2.942 5 50 GFBA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc([N+](=O)[O-])c1O 35812715 JUVHKUXXJAYFMB-VFZGTOFNSA-N 393.396 2.669 5 50 GFBA O=C(NCc1cc(-c2ccccn2)on1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869509 QXJQUFKZYPSWIA-UHFFFAOYSA-N 382.361 2.580 5 50 GFBA COc1ccsc1C(=O)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 225527659 GJIRYKHSNQYGPQ-UHFFFAOYSA-N 394.789 2.576 5 50 GFBA COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O 97966161 QYBSQGCHCHMSIZ-UHFFFAOYSA-N 387.436 2.635 5 50 GFBA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1118085 YLYWSFZHNKVRLP-UHFFFAOYSA-N 390.348 2.660 5 50 GFBA O=C(c1cccnc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 825315 SVBWIDDKKFSXDJ-HNNXBMFYSA-N 380.282 2.599 5 50 GFBA Cc1ccc(-n2ccc3ncc4c(=O)n(-n5c(C)nnc5C)ccc4c3c2=O)cc1 72115935 ZRLJYYUUDGQKCA-UHFFFAOYSA-N 398.426 2.529 5 50 GFBA C[C@H]1CN(Cc2ccccn2)CCN1C(=O)c1ccc([N+](=O)[O-])c2cccnc12 225390766 YFEGGCHKRPADTJ-HNNXBMFYSA-N 391.431 2.885 5 50 GFBA Cc1nn(-c2cc(Sc3nncn3C)ccc2[N+](=O)[O-])c(=O)c2ccccc12 1068657 ZCIGURGMHOOIDK-UHFFFAOYSA-N 394.416 2.882 5 50 GFBA O=[N+]([O-])c1ccc2c(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccnc2c1 929084660 PIIFTLMBGOVHIN-UHFFFAOYSA-N 398.444 2.654 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccccc2O)CC1 6397787 SPGHFAYVUJYRKO-UHFFFAOYSA-N 388.449 2.828 5 50 GFBA CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 328603501 GFILHQJATOTELT-CYBMUJFWSA-N 394.435 2.952 5 50 GFBA Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 246288152 IGXKJOZGMBJETA-MAUKXSAKSA-N 393.509 2.849 5 50 GFBA Cc1cc(F)c(NC(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 252494957 OJBWEYHPJCGPJI-OAHLLOKOSA-N 390.371 2.948 5 50 GFBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3ccc(Br)cc3s2)n1 2781920 SUPMNBIJOCMEFS-UHFFFAOYSA-N 382.199 2.953 5 50 GFBA O=C(NN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O)c1ccco1 1207748 CWYXRPSIDVZJSI-UHFFFAOYSA-N 393.311 2.921 5 50 GFBA CCCCN(C(=O)CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 25668611 PAKAWBHFUBCKDB-UHFFFAOYSA-N 387.414 2.840 5 50 GFBA O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(c3ccccc3oc2=O)O1 1427240 HCHHFQGGCLGOIX-NSHDSACASA-N 381.296 2.871 5 50 GFBA O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1Nc1ccc(Cl)cc1 4813619 CIPODXDHKDAWJH-UHFFFAOYSA-N 389.755 2.582 5 50 GFBA aggregator Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NCCCN2CCOCC2)n1 20472309 GMMIDIJGACHICF-UHFFFAOYSA-N 399.451 2.685 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cncc(Cl)n2)c(Br)c1 170609090 SWDRUPUXLUQYQM-UHFFFAOYSA-N 393.606 2.602 5 50 GFBA Cc1cccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1[N+](=O)[O-] 19807840 KRKIQPBCGRJHLI-UHFFFAOYSA-N 383.404 2.590 5 50 GFBA CCCCNS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 2828661 IZWVYUOVGYRZIL-UHFFFAOYSA-N 391.449 2.854 5 50 GFBA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128364 MHXSVBBJERLNGI-GOSISDBHSA-N 397.387 2.714 5 50 GFBA O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N(CCCO)Cc1ccccn1 252492977 MYSHPHQBQBPFQP-UHFFFAOYSA-N 384.436 2.615 5 50 GFBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)N1CCN(c2ccccc2)CC1 2237337 RQRVLEPCIUMBRQ-UHFFFAOYSA-N 391.859 2.882 5 50 GFBA CCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100627755 SQHWNJZMMIIRJO-UHFFFAOYSA-N 379.464 2.519 5 50 GFBA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccccc3[N+](=O)[O-])N2C1=O 2695539 GCXQDNKTAOBCIV-GXTWGEPZSA-N 375.406 2.807 5 50 GFBA CCOc1ccc(NC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1151360 DHCCNJMVVCDDFS-NSHDSACASA-N 383.360 2.617 5 50 GFBA Cc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 4302966 PIGIRUUYSICALP-IRXDYDNUSA-N 387.417 2.515 5 50 GFBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 2873760 STFCMMYSSNBQMU-UHFFFAOYSA-N 390.373 2.863 5 50 GFBA CCNc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] 4703587 LHROCLOQTKHLAR-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA COc1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OC 881472 MBLFNHBNSKIMQV-UHFFFAOYSA-N 379.369 2.878 5 50 GFBA CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 2840824 AOEUKKNKQFFDTL-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA CN1C[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 170602411 FEDOBGULXAKTLO-OAHLLOKOSA-N 378.432 2.974 5 50 GFBA CC1(C)Cc2c(sc3nc(Cc4ccc([N+](=O)[O-])cc4)n(N)c(=O)c23)CO1 5010383 FIMKAOLSZYXIIT-UHFFFAOYSA-N 386.433 2.522 5 50 GFBA C[C@@H](c1cccnc1)N1CCN(c2cc3ncnc(O)c3cc2[N+](=O)[O-])CC1 301297362 PRYUBJJHDVQWNL-ZDUSSCGKSA-N 380.408 2.522 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 682814 XPJMWZGQPYKFAE-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA CCn1cc(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cn1 2780175 FGCNPMYNSKNCNM-UHFFFAOYSA-N 386.412 2.538 5 50 GFBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)ccc1Cl 170597592 BIRSXOOBMAQREP-CQSZACIVSA-N 384.797 2.865 5 50 GFBA CCOC(=O)c1c(NC(=O)[C@H](C)Cn2cc([N+](=O)[O-])cn2)sc(C)c1C 2784468 QGPUZWLBFFCKBY-SECBINFHSA-N 380.426 2.921 5 50 GFBA CN1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 136133077 GTFRELCRDZVNGO-HRCADAONSA-N 387.779 2.725 5 50 GFBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1nnnn1-c1ccccc1 4618783 XDVYAMJVFQJEQR-UHFFFAOYSA-N 384.421 2.558 5 50 GFBA CCOCCN1CCN(c2c(C)cc([N+](=O)[O-])cc2C(=O)OC)C[C@H]1CC 170613113 ZUYLYRLLVZKNIR-OAHLLOKOSA-N 379.457 2.627 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)COc1ccc(C)cc1 4834345 NKLIQQMQSXPPOK-UHFFFAOYSA-N 375.406 2.804 5 50 GFBA CC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878115 DYMLKNCJEMMPPO-SECBINFHSA-N 385.660 2.714 5 50 GFBA O=c1c(-c2ccccc2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] 2845590 IPLCVRGWQRQGEK-UHFFFAOYSA-N 389.367 2.839 5 50 GFBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 3000708 AYCKKUHZJYMHEO-UHFFFAOYSA-N 389.389 2.819 5 50 GFBA COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 1444570 MQVHWESMBXYOKX-CQSZACIVSA-N 398.318 2.689 5 50 GFBA O=C(NCc1cc(-c2ccccc2)n[nH]1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869586 VCFFQSWXKDUMOS-UHFFFAOYSA-N 380.389 2.920 5 50 GFBA COc1cc(OC)cc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 19595042 CLGZHGZJSBRJOI-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1ccc([N+](=O)[O-])cc1 4740688 WFRLKRMTYFMAMW-UHFFFAOYSA-N 399.355 2.755 5 50 GFBA CCc1nc2n(n1)CCC[C@@H]2NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 253432254 XKRILEAOLZWQNJ-LBPRGKRZSA-N 381.795 2.735 5 50 GFBA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 833077 BFUXIOYLQJJQQT-HNNXBMFYSA-N 375.406 2.808 5 50 GFBA COc1ccccc1-c1ccnc(C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 952891876 JTFYBSYCOMMCBD-NVXWUHKLSA-N 382.420 2.523 5 50 GFBA CCCN1C(=O)[C@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 1121943 KUKFSSQJJIXQOC-FQEVSTJZSA-N 384.388 2.821 5 50 GFBA Cn1c(/C=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c(=O)n(C)c1=O 15921942 ZQTLITMNSKCYPL-VAWYXSNFSA-N 379.372 2.955 5 50 GFBA CC(C)c1nc([C@H]2CCCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 289648188 FZKXJDRVYDZFJY-GDBMZVCRSA-N 389.456 2.803 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCNCC2)cc1 725373384 HZCXYWGEJVJAIG-UHFFFAOYSA-N 375.450 2.538 5 50 GFBA Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(N)cc1 2159172 BUIZYWUZRRANGU-UHFFFAOYSA-N 384.421 2.703 5 50 GFBA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1[N+](=O)[O-] 239358404 NELMJURKBWYMHB-ZLKJLUDKSA-N 391.811 2.748 5 50 GFBA COC(=O)c1ccc(N2CCN(CC(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 36023249 PGWBIOUVFWVCIT-UHFFFAOYSA-N 397.431 2.695 5 50 GFBA CC(=O)N(c1ccc(Nc2ncc([N+](=O)[O-])c(=NC3CC3)[nH]2)cc1)[C@@H]1C[C@@H]1C 2325703906 KYPSDHOYWAQSIH-MEDUHNTESA-N 382.424 2.886 5 50 GFBA Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 1662836 AIOZPDMZGCGPNG-UHFFFAOYSA-N 397.347 2.553 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O 951460 YMCBMALFAPOVET-QGZVFWFLSA-N 397.387 2.863 5 50 GFBA COC(=O)c1cc(C(=O)Nc2nnc(C(F)(F)F)s2)cc([N+](=O)[O-])c1 2816738 FGHNRZKCFPLHQH-UHFFFAOYSA-N 376.272 2.504 5 50 GFBA Cc1ccsc1CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 4839558 LSNBOYNMJYSLMV-CYBMUJFWSA-N 394.474 2.794 5 50 GFBA CCn1cc(CNC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cn1 2809589 PWVAAZIKEFAQSL-UHFFFAOYSA-N 388.815 2.639 5 50 GFBA COc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc([N+](=O)[O-])cc2)C3)cc1 4727968 GNNXWGCMVGGHGR-GOSISDBHSA-N 394.387 2.600 5 50 GFBA CCOc1ccc(Br)cc1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 4020496 CDBAABWTAILRGD-HWKANZROSA-N 382.170 2.715 5 50 GFBA Cc1cc(C)c2nc3s/c(=C\c4cc5c(cc4[N+](=O)[O-])OCO5)c(=O)n3c2c1 1196567 WWXQLCJEPMGOBK-SOFYXZRVSA-N 395.396 2.711 5 50 GFBA Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 5051679 GUNSUUZSYYWEAY-QPJJXVBHSA-N 397.416 2.938 5 50 GFBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 4811228 GZKJCKWTPBNABW-QGZVFWFLSA-N 392.375 2.614 5 50 GFBA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 2945736 QFTYIDYJJHJYBW-UHFFFAOYSA-N 377.403 2.860 5 50 GFBA COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027930 LPKYBHHNUQGQLC-UHFFFAOYSA-N 378.406 2.981 5 50 GFBA COc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 851733 FHXDLOGYUMTSOY-UHFFFAOYSA-N 389.383 2.714 5 50 GFBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1O[C@@H](C)CC 9235163 DSADXIMEVUBUNH-IOCXFXADSA-N 375.381 2.718 5 50 GFBA CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 390832690 YZTCAPCHHMTNPD-MNOINKQASA-N 385.342 2.666 5 50 GFBA COC(=O)[C@@H]1CCCCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222310691 DGKMRTDYFOAZPY-NWANDNLSSA-N 393.440 2.642 5 50 GFBA CC(C)(C)CC[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(N)=O 225605274 HZTOZUMFFFXVEK-LLVKDONJSA-N 393.412 2.683 5 50 GFBA Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1128029 XVDODLSHPOWJSX-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA Cc1cnc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1ccc(Cl)cc1Cl 1425576 DPOKPQNIZMZNSF-UHFFFAOYSA-N 387.179 2.973 5 50 GFBA CC(C)CN1C(=O)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)cc2C1=O 35877063 MMTODQJNBUCEIV-UHFFFAOYSA-N 383.360 2.805 5 50 GFBA O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 241815990 SESCUVTUTUHSEW-XJKSGUPXSA-N 390.831 2.519 5 50 GFBA Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 1122004 LOBLEECJKVUURF-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@H]2C)C1 247938649 WBKPWTDSOJYJKG-LZWOXQAQSA-N 397.497 2.629 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)c1 20028514 JUCRZPHMSLGUMI-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCC(C)C 4173494 UURLANUCCQQNIN-FNORWQNLSA-N 375.381 2.988 5 50 GFBA O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@@H]21 132788554 JVOLZEDGQWZJFU-YPMHNXCESA-N 398.257 2.700 5 50 GFBA O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4064195 PKFNJNCJLRMGBK-UHFFFAOYSA-N 380.744 2.712 5 50 GFBA O=C(Nc1ccc2c(c1)OCCO2)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2800702 VRZKTXGEFKGLGP-UHFFFAOYSA-N 396.359 2.851 5 50 GFBA Cc1cnc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)s1 13882226 XGAIIOKCWRJSOK-GKUGFIGPSA-N 388.453 2.885 5 50 GFBA C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H](c1ccccc1)N1CCCN12 19172378 HWDLCTYLUFEHHW-WAOWUJCRSA-N 392.415 2.521 5 50 GFBA O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 19595125 JQDFPCJJXCFNRP-QPJJXVBHSA-N 396.403 2.974 5 50 GFBA CCOC(=O)[C@H](CSC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 4014092 RKZLICUXSJJYJX-ZDUSSCGKSA-N 398.437 2.925 5 50 GFBA CC(C)(C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754967 ILZHXWJOLZPQOA-KRWDZBQOSA-N 395.415 2.717 5 50 GFBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 4687405 IYNYRODORPUQKD-UHFFFAOYSA-N 395.868 2.900 5 50 GFBA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 225462082 BVGNGNPXHPBRPS-GXTWGEPZSA-N 392.456 2.861 5 50 GFBA CCOC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc(C(C)=O)c1C 12413639 OZSLUUQIBADTBR-SECBINFHSA-N 394.409 2.740 5 50 GFBA Cn1c(CN2CCN(C(=O)c3cccs3)CC2)nc2cc([N+](=O)[O-])ccc21 13161606 XKXCZYPPWGZQLY-UHFFFAOYSA-N 385.449 2.501 5 50 GFBA Cc1ccc(NC(=O)CSc2nc(=O)c3ccsc3[nH]2)cc1[N+](=O)[O-] 3017852 LZUADKAYLXJBIM-UHFFFAOYSA-N 376.419 2.932 5 50 GFBA O=C(NCCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1Br 170593838 KPFSYILCQLMYFO-LLVKDONJSA-N 387.230 2.530 5 50 GFBA O=C(COC(=O)[C@H]1CCCN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 1196199 OIRQCLZKORYFTB-QGZVFWFLSA-N 398.371 2.984 5 50 GFBA O=[N+]([O-])c1ccc(NCCNc2nc3ccccc3nc2N2CCOCC2)cc1 4688318 VEAGSAJNLWCIOL-UHFFFAOYSA-N 394.435 2.899 5 50 GFBA Cc1nnc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)s1 1779610 VLNPYYVQFWUUEK-UHFFFAOYSA-N 394.368 2.786 5 50 GFBA CN(C)c1ncnc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(ncnc1N(C)C)O2 4546363 OVSWFOUMJPIOAX-UHFFFAOYSA-N 393.407 2.593 5 50 GFBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 247845207 PLHQAKCOJSHTIE-JOQOYGCGSA-N 398.419 2.727 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c1 20028518 RMNMSUHPHKWKMZ-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA Cc1nn(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1[N+](=O)[O-] 2754615 DDKSPACCTXOJJR-UHFFFAOYSA-N 397.357 2.618 5 50 GFBA C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@H]5O)cc2[N+](=O)[O-])C1 253417318 ZZZMJMXLSAPXGX-BISRUAJMSA-N 385.464 2.672 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCCO)[C@H]1CCc2ccccc21 181959163 SWGMWUOWBQGZSL-HKUYNNGSSA-N 386.448 2.706 5 50 GFBA CN1C[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 170602410 FEDOBGULXAKTLO-HNNXBMFYSA-N 378.432 2.974 5 50 GFBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 1149915 NGTMOSHLPNZKQO-UHFFFAOYSA-N 391.449 2.853 5 50 GFBA COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] 1162509 LSPFBSAQWONNRY-KRWDZBQOSA-N 376.752 2.670 5 50 GFBA Cc1[nH]c2ccc(C(=O)N[C@@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1C 130278101 UNFKMSSKOYZGEH-OALUTQOASA-N 383.404 2.517 5 50 GFBA COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC(C)C)cc1 5498205 OVJQGCAFKFTPKJ-LDADJPATSA-N 383.404 2.899 5 50 GFBA COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCC2 2763225 VGPGVKIYAORNOF-VIFPVBQESA-N 378.410 2.718 5 50 GFBA CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(Cc1ccccc1)C2=O 4776451 CVKHKNUHEUXHPC-SFHVURJKSA-N 378.388 2.587 5 50 GFBA Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)CCC1=O 5063727 JHXZATAVGQENCF-UHFFFAOYSA-N 396.403 2.716 5 50 GFBA Cc1nc([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)n1Cc1ccccc1 3832887 FLYIWANIVQCZNQ-UHFFFAOYSA-N 378.436 2.870 5 50 GFBA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 4686715 ZUNOJGNCGZACEM-KRWDZBQOSA-N 392.433 2.876 5 50 GFBA CCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 1166657 FFUGGXJKOSFECQ-WJDWOHSUSA-N 394.412 2.673 5 50 GFBA CCOC(=O)[C@@H]1/C(=C/Cl)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 227144189 AXKBUKCGIZQYPM-WTEYMAAXSA-N 394.811 2.988 5 50 GFBA C=CC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 5494969 CBKSPBWYAXICIL-JTQLQIEISA-N 397.671 2.880 5 50 GFBA CC(C)c1nc([C@@H]2CCCCN2C[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 289648199 FZKXJDRVYDZFJY-ZBFHGGJFSA-N 389.456 2.803 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 1068829 ACEQBHFVHBMCFK-MRVPVSSYSA-N 397.185 2.791 5 50 GFBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)ccc1Cl 170597591 BIRSXOOBMAQREP-AWEZNQCLSA-N 384.797 2.865 5 50 GFBA O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ncc(Br)cc1F 759500778 YXWUFGNEXXYTNG-UHFFFAOYSA-N 390.190 2.833 5 50 GFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19866931 NIYUNTJZZISBOG-FNORWQNLSA-N 395.415 2.681 5 50 GFBA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 52537712 UURMPELEZSQICI-UHFFFAOYSA-N 376.363 2.634 5 50 GFBA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4953072 XPGYAUMEHBNVHX-UHFFFAOYSA-N 383.813 2.751 5 50 GFBA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 1128983 HZAGQXFUYUOXTN-KRWDZBQOSA-N 391.391 2.817 5 50 GFBA COc1cccc(OC)c1C(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19773472 NKIGSKDNKQXQRD-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=C(c1ccc2c(c1)CCO2)N1CCC(O)(CNc2ccccc2[N+](=O)[O-])CC1 1775992034 ODBFAAOJOQKRAE-UHFFFAOYSA-N 397.431 2.609 5 50 GFBA CC(=O)N(C(C)=O)n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4832989 ZUEIMSNCSWEZKT-FMIVXFBMSA-N 392.371 2.506 5 50 GFBA C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@H]5O)cc2[N+](=O)[O-])C1 253417319 ZZZMJMXLSAPXGX-PUDVPYBGSA-N 385.464 2.672 5 50 GFBA Cc1cc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 1146690 WWUOWCQXUYQTKY-UHFFFAOYSA-N 391.449 2.925 5 50 GFBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(Br)o1 35864429 OFSOKXYGJYIGDY-UHFFFAOYSA-N 386.183 2.783 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Cl)S(C)(=O)=O 1129947 PMPLVNBOBHAPMS-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 1045416 XWXHRRJHPBWPLP-MRXNPFEDSA-N 391.177 2.770 5 50 GFBA NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 1891913 MNELZAWJKMPZNV-UHFFFAOYSA-N 375.406 2.652 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 4993488 ZAQIXEBCXSILEZ-UHFFFAOYSA-N 378.295 2.539 5 50 GFBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1O[C@H](C)CC 9235162 DSADXIMEVUBUNH-LXSSAFMLSA-N 375.381 2.718 5 50 GFBA CC(C)CNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 4578402 IPWZIFJGXISIOE-UHFFFAOYSA-N 391.449 2.562 5 50 GFBA COc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1[N+](=O)[O-] 4994020 GHQFINRYWCYLNV-UHFFFAOYSA-N 398.419 2.524 5 50 GFBA Cc1cnc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1ccc(C(F)(F)F)cc1 1425575 BNBSLRROPHJDDK-UHFFFAOYSA-N 386.286 2.685 5 50 GFBA O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 726360 PTKJTYPESNROCA-MRXNPFEDSA-N 395.293 2.910 5 50 GFBA COC(=O)c1c(C(=O)OC)c2ccccn2c1C(=O)c1ccc([N+](=O)[O-])cc1 753743 MAMKQGKMXOLMGO-UHFFFAOYSA-N 382.328 2.652 5 50 GFBA CN1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 4560284 CSMOUOFWGUHAJF-UHFFFAOYSA-N 398.507 2.901 5 50 GFBA CC[C@H](C)NC(=O)CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 225650375 GSFWHWSFPRWQCI-NSHDSACASA-N 389.283 2.938 5 50 GFBA CC(C)(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 6211635 KRVHQFFZLDQCBR-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA COCCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 3055981 ATZSUXKKMLZCIN-XMHGGMMESA-N 397.431 2.827 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5008008 DHPCYWREDJJLFI-UHFFFAOYSA-N 387.757 2.966 5 50 GFBA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 870315 VMMYEILNADCOPK-UHFFFAOYSA-N 377.422 2.878 5 50 GFBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 248024852 LDHBZIZMTGJWTP-SJLPKXTDSA-N 383.452 2.551 5 50 GFBA C=CC(=O)N(C)c1ccc(C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)cc1 1875373905 UDZFBXBQHFVDME-UHFFFAOYSA-N 381.388 2.778 5 50 GFBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCN(Cc2ccccc2)CC1 4036966 KBFGCINRNPKULA-IBGZPJMESA-N 396.447 2.502 5 50 GFBA CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1CO[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 2332237875 PKSGBHLAYJAAPX-ULQDDVLXSA-N 391.468 2.605 5 50 GFBA CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc([N+](=O)[O-])c1O 35812713 JUVHKUXXJAYFMB-PSLIRLAXSA-N 393.396 2.669 5 50 GFBA O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1cccc(C(F)(F)F)c1 1433046 AESBAWFHEMSQFC-UHFFFAOYSA-N 394.107 2.606 5 50 GFBA C[C@H](NC(=O)c1cc2nc(-c3nn(C)cc3[N+](=O)[O-])ccn2n1)c1ccccc1 8782654 ZOKOYRLUDRSAEC-LBPRGKRZSA-N 391.391 2.529 5 50 GFBA COC(=O)c1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc([N+](=O)[O-])c1 1180850 XDUJOGYGXAOYKO-UHFFFAOYSA-N 397.431 2.961 5 50 GFBA CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 4844844 RGIBTVLGQIQDQP-HUUCEWRRSA-N 397.497 2.629 5 50 GFBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN=C3c3ccccc3)c(=O)oc12 19618851 OOHNVEGKWVEJGY-UHFFFAOYSA-N 393.355 2.612 5 50 GFBA Cc1cc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)no1 692368 PCMNSXCVMGDZMC-UHFFFAOYSA-N 377.312 2.923 5 50 GFBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] 3000055 MUAOHPZCTBZJBT-UHFFFAOYSA-N 389.389 2.819 5 50 GFBA CN(C)c1cc(F)c(-c2nc(CC(=O)NCc3ccccc3)no2)cc1[N+](=O)[O-] 408518429 HEASOMVYZJIHCR-UHFFFAOYSA-N 399.382 2.709 5 50 GFBA C=CC(=O)N1CCC(C(=O)N2CC=C(c3cc(C)c(N)c([N+](=O)[O-])c3)CC2)CC1 1875371430 APQLAHWOOWQRDU-UHFFFAOYSA-N 398.463 2.526 5 50 GFBA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4594614 CSRLMEWYWKDXQG-HNNXBMFYSA-N 388.376 2.948 5 50 GFBA COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5062907 HOWDPOYYNLWYNU-UHFFFAOYSA-N 384.392 2.736 5 50 GFBA COc1cccc([C@H]2C[C@H](c3cccc([N+](=O)[O-])c3)Nc3nnnn32)c1OC 2914020 CHENRVIFIVKKIK-HUUCEWRRSA-N 382.380 2.745 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2)cc1 4740531 GIKWRNJJWUUOAH-UHFFFAOYSA-N 395.868 2.900 5 50 GFBA CC(=O)N[C@H]1CC[C@H](C(F)(F)F)N(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 390832689 YZTCAPCHHMTNPD-FFAUQURTSA-N 385.342 2.666 5 50 GFBA CN(C)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4006181 TUDUFOWEUWAVRR-YXSDIZSPSA-N 385.464 2.998 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 17080471 NAVMFYJTMBHCSC-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 1161977 JWFBLBAUDFEQQK-UHFFFAOYSA-N 377.422 2.616 5 50 GFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4688307 FCRXBCALXBXYFL-UHFFFAOYSA-N 399.831 2.898 5 50 GFBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 4688283 AAMUZNAMKIBFSH-UHFFFAOYSA-N 380.448 2.826 5 50 GFBA COc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 20010927 FNDVGQNYHUOILV-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=[N+]([O-])c1cc2c(O)ncnc2cc1N1CCN(c2cc(F)ccc2F)CC1 301583124 VGXYLWDJSDAUAA-UHFFFAOYSA-N 387.346 2.848 5 50 GFBA Cc1csc([C@@H]2COCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 188604832 LFSXZFIKMIEOKO-INIZCTEOSA-N 386.433 2.984 5 50 GFBA Cn1cc(C(=N)O)c([C@@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 328607954 XRJNKKYCOBSJAK-LLVKDONJSA-N 384.396 2.732 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 14152350 JDKYTIZGIYHKLH-UHFFFAOYSA-N 375.366 2.712 5 50 GFBA O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)NCCN3CCCC3)cc2)cc1 754606 FTFFGSFIZWGJIM-UHFFFAOYSA-N 375.450 2.636 5 50 GFBA Cc1csc([C@H]2COCCN2C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)n1 188604850 LFSXZFIKMIEOKO-MRXNPFEDSA-N 386.433 2.984 5 50 GFBA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 5008671 ZWLGPSHMODGGRF-GOSISDBHSA-N 397.387 2.845 5 50 GFBA COc1ccc(O[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4749658 IHNUDHLIMSLRBG-OAHLLOKOSA-N 385.420 2.720 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncn(Cc2cccc(Cl)c2)n1 17080474 QZEHQYUVUFSNLH-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA O=C(NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1 5050269 NHUSESLXUFDABX-UHFFFAOYSA-N 383.452 2.929 5 50 GFBA C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)C[C@@H](C)O1 4844546 XNLLJNVXSYYCJK-HUUCEWRRSA-N 397.497 2.773 5 50 GFBA Cc1cccn(CC(=O)c2ccc(I)c([N+](=O)[O-])c2)c1=N 105124986 WANQNTZJVPUYNX-UHFFFAOYSA-N 397.172 2.672 5 50 GFBA CO[C@]1(C)C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C 170646212 IUJNQMFUPPEYIB-YLJYHZDGSA-N 391.468 2.707 5 50 GFBA CCc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19853964 JGHIIMFYRXHSAQ-UHFFFAOYSA-N 389.477 2.664 5 50 GFBA CCc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1133509 ZYVMPGBCVQATOD-UHFFFAOYSA-N 377.422 2.562 5 50 GFBA O=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100494287 FXSXEDOTGREJNM-UHFFFAOYSA-N 377.225 2.572 5 50 GFBA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 804974 GZRYTHJYFZWAQX-UHFFFAOYSA-N 386.408 2.745 5 50 GFBA Cc1csc2[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(=O)c12 4705436 CBHWITLLBYEVJO-UHFFFAOYSA-N 376.419 2.932 5 50 GFBA O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCCCC2)c(Cl)cc1Cl 225392865 CQSGDGRERFIWGA-UHFFFAOYSA-N 382.269 2.666 5 50 GFBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 240551436 GTRKIFFGYABDRI-NBLIUIFLSA-N 395.337 2.833 5 50 GFBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Br)cnn12 13645235 AKYROQJXDAXSNG-UHFFFAOYSA-N 377.154 2.854 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1[N+](=O)[O-] 4838759 QMKRACMXKDIULA-HNNXBMFYSA-N 379.438 2.861 5 50 GFBA CC(C)(C)OC(=O)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 267395992 OLEIFJJFRAFUKL-GFCCVEGCSA-N 377.397 2.719 5 50 GFBA CCn1ccnc1CN(C(=O)c1csc([N+](=O)[O-])c1)[C@H]1CC12CCNCC2 376677185 BSDCVYSOXKQAGQ-AWEZNQCLSA-N 389.481 2.657 5 50 GFBA CN(C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(OCC(=O)O)cc1 263001715 KVRQNFQYZUNMKR-UHFFFAOYSA-N 387.392 2.913 5 50 GFBA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1195946 CEOGXSLVSMVOFA-UHFFFAOYSA-N 377.422 2.878 5 50 GFBA Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4818995 ZAHFCIWAEQRKJY-UHFFFAOYSA-N 384.461 2.740 5 50 GFBA O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 241815987 SESCUVTUTUHSEW-BBRMVZONSA-N 390.831 2.519 5 50 GFBA CN(C)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4006180 TUDUFOWEUWAVRR-TYUXRXASSA-N 385.464 2.998 5 50 GFBA CCn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)O 4414168 VDFZICVVGYZNTQ-UHFFFAOYSA-N 394.456 2.991 5 50 GFBA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 845623 ZUIIKXSJXVPQKJ-KRWDZBQOSA-N 382.376 2.870 5 50 GFBA COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCC2 2763226 VGPGVKIYAORNOF-SECBINFHSA-N 378.410 2.718 5 50 GFBA CCOc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O 262573137 CWKQVUWQMKKROK-GFCCVEGCSA-N 388.376 2.948 5 50 GFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCCO2 4741876 LQQKOYMISPSFPT-UHFFFAOYSA-N 386.389 2.973 5 50 GFBA Cc1cc(C)n(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)c(=O)c1 2793591 SUFUSZPKPOACKV-UHFFFAOYSA-N 395.419 2.619 5 50 GFBA CC(C)(C)CC[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C(N)=O 225605246 HZTOZUMFFFXVEK-NSHDSACASA-N 393.412 2.683 5 50 GFBA COCc1cc(C)nc2sc3c(=O)n(N)c(-c4ccccc4[N+](=O)[O-])nc3c12 6659358 XSFOJXJKCHSTAT-UHFFFAOYSA-N 397.416 2.750 5 50 GFBA O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCO 2866537 MKAMZWBXEZXJQO-QGZVFWFLSA-N 380.356 2.629 5 50 GFBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCN(Cc2ccccc2)CC1 4036953 KBFGCINRNPKULA-LJQANCHMSA-N 396.447 2.502 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H](CN1CCCC1)c1ccccc1 2580955 PYNCWUSAPJIGMN-MRXNPFEDSA-N 375.450 2.710 5 50 GFBA CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 2912029 HMWOFNPWUZIPIY-UHFFFAOYSA-N 377.403 2.860 5 50 GFBA C[C@H](NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)[C@H]1C[C@H]2CC[C@H]1C2 252457252 RCXPUXUTCOORBH-WHRXGGIHSA-N 385.420 2.520 5 50 GFBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(Cc2ccccc2)CC1 19372079 QMJLJUUXPDNSKB-UHFFFAOYSA-N 393.399 2.659 5 50 GFBA CCCCC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4998677 HMANAEIUPFEHPI-UHFFFAOYSA-N 384.889 2.962 5 50 GFBA Cc1nc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2 18180731 VKLVUOYTJOZIEC-MRXNPFEDSA-N 398.444 2.996 5 50 GFBA O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663650 PEGBEECBBAZQRZ-UHFFFAOYSA-N 375.812 2.976 5 50 GFBA CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C[C@@H]2CCOC2)CC1 170633093 ARHQSWMMOAPSPZ-ZDUSSCGKSA-N 381.860 2.821 5 50 GFBA Cc1nn(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C)c1Cl 1070973 NFTSVJHKTVQJQH-UHFFFAOYSA-N 376.598 2.669 5 50 GFBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccn1 1132256 PUXTWGXQYOOUKW-GLCVTWPJSA-N 397.390 2.867 5 50 GFBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 43827734 CQZGZCAGOSAFCA-GFCCVEGCSA-N 379.413 2.875 5 50 GFBA C[C@@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1 19920501 BIFWVGRHMXQOFP-OAHLLOKOSA-N 397.431 2.771 5 50 GFBA Cn1c(CN2CCN(C(=O)Nc3ccccc3)CC2)nc2cc([N+](=O)[O-])ccc21 13003478 SCUJVGIZXLCTMF-UHFFFAOYSA-N 394.435 2.831 5 50 GFBA CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 2092026 URKJZVFGVNLMHC-INIZCTEOSA-N 391.380 2.637 5 50 GFBA COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(Cc2ccccc2)CC1 19758962 YINZXAYTMAQIKL-UHFFFAOYSA-N 398.463 2.627 5 50 GFBA CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 4825495 BFUXIOYLQJJQQT-OAHLLOKOSA-N 375.406 2.808 5 50 GFBA CCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100627816 JIOVUPWOYJHFSN-UHFFFAOYSA-N 379.464 2.601 5 50 GFBA CCn1cc(S(=O)(=O)N[C@H](c2ccc(F)cc2F)C2CC2)c([N+](=O)[O-])n1 1475033606 QZZMGVAVMZAHFA-AWEZNQCLSA-N 386.380 2.519 5 50 GFBA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 2064377 JGILCZYVPBAJID-UHFFFAOYSA-N 389.389 2.517 5 50 GFBA O=C1c2cccc3ccc(O)c(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 7000864 LAQYEZGEBRCCRY-UHFFFAOYSA-N 395.283 2.952 5 50 GFBA O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 896839059 SZBBRJYAMCYFMB-LURJTMIESA-N 376.171 2.534 5 50 GFBA COc1cc(CCNC(=O)c2nc3cccnc3s2)c([N+](=O)[O-])cc1OC 225571042 KITLGUBPZYSNSG-UHFFFAOYSA-N 388.405 2.589 5 50 GFBA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 939655 AANIJPQAVWWBOE-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 2846788 YQTHADMCKXRCLH-UHFFFAOYSA-N 391.430 2.758 5 50 GFBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1ccc(Br)cc1 5090725 REKHUSXMXFJRGS-UHFFFAOYSA-N 382.195 2.918 5 50 GFBA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 1782136 SZUYXYUNNOAPMM-GOSISDBHSA-N 381.388 2.980 5 50 GFBA biogenic CCOC(=O)[C@H]1/C(=C/Cl)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 227144194 AXKBUKCGIZQYPM-VGAQJYNHSA-N 394.811 2.988 5 50 GFBA COC(=O)c1sc2ncn3nc(COc4ccc([N+](=O)[O-])cc4)nc3c2c1C 2791984 WDMBBGKJARKGAY-UHFFFAOYSA-N 399.388 2.921 5 50 GFBA O=c1c2cc3c(=O)n(C[C@H]4CCCO4)ccc3nc2ccn1Cc1ccccc1 40398782 RAKNBICRXAROJC-QGZVFWFLSA-N 387.439 2.939 5 50 GFBA CS(=O)(=O)N(CC(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 1112312 WWJFIPPXTNELCJ-UHFFFAOYSA-N 383.813 2.653 5 50 GFBA C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@@H]3[C@@H]5O)cc2[N+](=O)[O-])C1 253417323 ZZZMJMXLSAPXGX-USNLCZKJSA-N 385.464 2.672 5 50 GFBA COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C 2740344 OJBNWZPUGYHSTC-UHFFFAOYSA-N 378.362 2.790 5 50 GFBA COC(=O)c1ccc(NCCNC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 225546395 BEYWIODYEYAQDU-UHFFFAOYSA-N 377.784 2.877 5 50 GFBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 4184290 KODYTBPRTZAVCG-UHFFFAOYSA-N 395.868 2.900 5 50 GFBA CCn1ccnc1[C@@H](NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCOCC1 286833488 MCKGEDQLKJHVRF-AWEZNQCLSA-N 390.444 2.555 5 50 GFBA Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 121679051 IGXKJOZGMBJETA-CRAIPNDOSA-N 393.509 2.849 5 50 GFBA Cn1ccc2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)ccc21 886024653 YGEUSMGOFVWWGS-XJKSGUPXSA-N 392.415 2.508 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5073790 SPJUXAWQVCIYDC-QGZVFWFLSA-N 389.433 2.695 5 50 GFBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)N(C)C)c1C 670974 WNTGCUGAQJROHV-UHFFFAOYSA-N 391.405 2.705 5 50 GFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3879415 PJXAOBRRLJQCFR-RUDMXATFSA-N 382.376 2.865 5 50 GFBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)cc1 4740995 MEANFDDLQICBHH-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA CCOc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC 19789925 MJNAPRDSPRXTQM-UHFFFAOYSA-N 399.447 2.960 5 50 GFBA O=C(COc1ccc(Cl)cc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19789998 WDBBNJLQKRBRBX-UHFFFAOYSA-N 389.839 2.971 5 50 GFBA CCCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c2ccccc21 100502061 LHZNBHFBWNULBU-UHFFFAOYSA-N 383.360 2.983 5 50 GFBA CCc1cccc(C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1141851 WSZAQXSSNTXULI-UHFFFAOYSA-N 391.449 2.870 5 50 GFBA CCOCCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 2776301 HIDVVMXHWITYEZ-INIZCTEOSA-N 377.397 2.535 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 2092056 QQZRAIBGAPSQBE-HNNXBMFYSA-N 379.438 2.861 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CN(CCCO)[C@@H]1CCc2ccccc21 181959183 SWGMWUOWBQGZSL-PKOBYXMFSA-N 386.448 2.706 5 50 GFBA CCc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2O)cc1 4676679 XHBRJURVFVOPGO-UHFFFAOYSA-N 375.406 2.755 5 50 GFBA Cc1cccc2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CC2 193333495 GGOSXIFNZMGNOB-AWEZNQCLSA-N 383.379 2.985 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1nccn1Cc1ccccc1 952890510 BHDPFQKDNSLHBC-OAHLLOKOSA-N 380.408 2.786 5 50 GFBA COCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 2423400 ZDHUVKUNULUHPU-QGZVFWFLSA-N 380.356 2.893 5 50 GFBA CC[C@@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1128025 PXZUROVHYIEDKV-GFCCVEGCSA-N 377.422 2.924 5 50 GFBA O=C(c1cccnc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 5050771 IHHVQRJXERFSLL-UHFFFAOYSA-N 395.463 2.943 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](CN2CCCCC2)N2CCCCC2)cc1 2857556 UWHKGMAZFDNPRL-SFHVURJKSA-N 395.525 2.709 5 50 GFBA COc1c(O)ccc(CN2CC[C@](O)(Cc3cccc(F)c3)C2)c1[N+](=O)[O-] 1875287972 IKSIHMDBHQWWJV-IBGZPJMESA-N 376.384 2.628 5 50 GFBA O=C1c2ccccc2C(=O)N1CCCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1115769 PQAOFJCRCDDOKZ-UHFFFAOYSA-N 378.344 2.874 5 50 GFBA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 1136285 DILPMLYWQJPNLO-UHFFFAOYSA-N 383.813 2.751 5 50 GFBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 29938125 ZNLVYSJQUMALEO-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA in-vitro O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 241815989 SESCUVTUTUHSEW-CZUORRHYSA-N 390.831 2.519 5 50 GFBA CC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4531814 ZNKWACYHILXUCL-VIFPVBQESA-N 385.660 2.714 5 50 GFBA COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 4687745 YKFFZIIJRGBMSQ-NTEUORMPSA-N 387.373 2.595 5 50 GFBA O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 20512829 XEGVEXFAZXFGBO-UHFFFAOYSA-N 396.447 2.658 5 50 GFBA COc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C)cc2C)cc1[N+](=O)[O-] 1134008 LUOGEDHUCAGCRK-MRXNPFEDSA-N 388.420 2.732 5 50 GFBA O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCCCC3)cc12 4770005 DZTOIZLRJJSPER-UHFFFAOYSA-N 377.853 2.676 5 50 GFBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 2850406 QDDMNGSLTRBBFH-UHFFFAOYSA-N 375.812 2.976 5 50 GFBA CCOc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O 262573138 CWKQVUWQMKKROK-LBPRGKRZSA-N 388.376 2.948 5 50 GFBA O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCC1 1107047 HVVICSIXSDVQOD-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1137764 QEFOXHSEMAXSSN-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA CC(C)(C)OC(=O)N1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 43827701 JKMCDPYFBNSYTM-UHFFFAOYSA-N 387.234 2.809 5 50 GFBA Cc1nn(CCc2nc3c4c5c(sc4ncn3n2)CCC5)c(C)c1[N+](=O)[O-] 2786696 YZTQKTDGCZNRJH-UHFFFAOYSA-N 383.437 2.792 5 50 GFBA COC(=O)c1cc(O)c2ccc3c(ccc4c(=O)cc(C(=O)OC)[nH]c43)c2n1 39221248 OYDATSSHXGPEOO-UHFFFAOYSA-N 378.340 2.508 5 50 GFBA CCOc1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 943319 BBGAOYMWCMOOMB-UHFFFAOYSA-N 383.360 2.618 5 50 GFBA O=C(NC(=S)N(CC1CCC1)C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 1067265 LNAUEMNSCSWIKP-MRXNPFEDSA-N 377.466 2.891 5 50 GFBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(I)cc1 2764358 TXERWSYVFFKGHI-UHFFFAOYSA-N 386.149 2.668 5 50 GFBA O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)c1 241815988 SESCUVTUTUHSEW-CJNGLKHVSA-N 390.831 2.519 5 50 GFBA COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NC(C)C)cc1 5012057 OVJQGCAFKFTPKJ-PDGQHHTCSA-N 383.404 2.899 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1 4663513 NIMQBTSYKLRPMR-UHFFFAOYSA-N 395.868 2.900 5 50 GFBA CCOC(=O)CS[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 1875339653 SGTFPCDPALJJDN-NSHDSACASA-N 395.359 2.944 5 50 GFBA CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 1116965 LYSPSUXKZGSZBW-UHFFFAOYSA-N 377.422 2.553 5 50 GFBA COc1cc(CN2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])cc1OC 55543243 IEVNMMRLRCWUKD-UHFFFAOYSA-N 387.436 2.943 5 50 GFBA COc1cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OC 881786 AIZQFUBGAXWJJX-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCO1)c1cccs1 1165432 VEYODNZDGXEVSY-GFCCVEGCSA-N 375.406 2.817 5 50 GFBA O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc([N+](=O)[O-])cc1Cl 11100027 JIBXTJFVYZVKNE-VXGBXAGGSA-N 379.800 2.752 5 50 GFBA COc1nn(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1[N+](=O)[O-] 2789594 XWMSLSAHIVYLTO-SECBINFHSA-N 399.436 2.625 5 50 GFBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)COc1ccc(F)cc1 4917957 HGCSKJPJJVNCTJ-CYBMUJFWSA-N 391.374 2.989 5 50 GFBA O=C(c1ccc(Br)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4457762 JNFIJENQNVTMLK-UHFFFAOYSA-N 380.198 2.913 5 50 GFBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2 252460246 CWEYTWAYKGMFDH-VUMVONDWSA-N 383.468 2.682 5 50 GFBA biogenic CCOc1ccc(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 5907780 ZAOFFSPPVDWQPK-UHFFFAOYSA-N 385.405 2.944 5 50 GFBA C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] 205881126 ZIFXYEQQDVXSEN-ZDUSSCGKSA-N 399.469 2.615 5 50 GFBA COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 1179595 PYFVJHQJNRJCEV-UHFFFAOYSA-N 379.369 2.878 5 50 GFBA O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)cc1 22298770 NRHOQEVMXOKBJF-GOSISDBHSA-N 391.855 2.810 5 50 GFBA COc1cccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC 19567350 JVVLEJMGPIRNLS-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-] 4877419 NNKCYCIOXKPFLK-UHFFFAOYSA-N 377.422 2.842 5 50 GFBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1137185 UZCBJGWORPNRDV-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA COc1ccc(N[C@@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 4531845 ABJLFNNYQDZPGB-JTQLQIEISA-N 385.635 2.983 5 50 GFBA Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 163941974 MXVNZOMZJVTGIC-QGZVFWFLSA-N 390.403 2.734 5 50 GFBA CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 5041685 VGDSOFVLXANPGD-UHFFFAOYSA-N 377.422 2.844 5 50 GFBA COc1cc(C2=N/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)O2)cc(OC)c1OC 845396 VRSGTLWRBJGYDI-RIYZIHGNSA-N 384.344 2.965 5 50 GFBA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 1155994 LSYBJPYXPRXZQG-UHFFFAOYSA-N 392.795 2.924 5 50 GFBA CCOc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 2873619 LKRYQHHRKLFIKP-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc([N+](=O)[O-])c1 2873611 BNJZQZDHDQZTFK-UHFFFAOYSA-N 385.376 2.772 5 50 GFBA O=C(CN1C(=O)S/C(=C\c2ccccc2)C1=O)Nc1cc([N+](=O)[O-])ccc1O 36073945 RNNZFHRPUOSPBW-NVNXTCNLSA-N 399.384 2.975 5 50 GFBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3Cl)n12 1064062 PQBKHWSSIDPFRG-ZROIWOOFSA-N 384.804 2.927 5 50 GFBA Cn1c(=O)c2cn3c4ccccc4nc(COc4ccccc4)c3c2n(C)c1=O 804795 NHRGYCXWRZRMSL-UHFFFAOYSA-N 386.411 2.617 5 50 GFBA COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1[N+](=O)[O-] 2221452 NJMQORSMCZXZIA-UHFFFAOYSA-N 389.389 2.737 5 50 GFBA O=C(NCCc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1133217 VDMAVTYNBZMUHJ-UHFFFAOYSA-N 381.432 2.806 5 50 GFBA CCOc1ccc(NC(=S)NC(=O)c2c(Cl)c(C)nn2C)c([N+](=O)[O-])c1 5584743 LPRQOGCKVPAJAY-UHFFFAOYSA-N 397.844 2.816 5 50 GFBA aggregator CCOc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)O)cc2)cc1[N+](=O)[O-] 263125467 SLXKWUQREJTSBP-LBPRGKRZSA-N 388.376 2.948 5 50 GFBA O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCC1 5027808 BQKOFYRVNWNLRO-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 35979493 RJPGQIGPUJXVLX-AWNIVKPZSA-N 387.323 2.541 5 50 GFBA CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(SCc3ccco3)c2)CC1 4188658 MKKOSSJRCYHYPB-UHFFFAOYSA-N 397.478 2.562 5 50 GFBA O=C(CCS[C@H]1CC(=O)N(c2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 101160303 DDJXVFIVYAUCLA-INIZCTEOSA-N 399.428 2.989 5 50 GFBA Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 163942097 MXVNZOMZJVTGIC-KRWDZBQOSA-N 390.403 2.734 5 50 GFBA CCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 4820639 GPKKMJMLODQKPB-UHFFFAOYSA-N 391.449 2.773 5 50 GFBA CC(C)c1nc([C@H]2CCCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 289648192 FZKXJDRVYDZFJY-GOEBONIOSA-N 389.456 2.803 5 50 GFBA CCN1C(=O)/C(=C/c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)o2)N=C1S 17078025 KBGYAMSOGKWCBC-WZUFQYTHSA-N 381.801 2.575 5 50 GFBA CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCC2 845132 SGBKJPSDTLEBBD-UHFFFAOYSA-N 392.437 2.774 5 50 GFBA Cc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 225462047 BVGNGNPXHPBRPS-TZMCWYRMSA-N 392.456 2.861 5 50 GFBA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 19595050 NFIHKYGUEIOZND-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA Cn1cnnc1CC1CCN(C(=O)c2c[nH]cc2-c2ccc([N+](=O)[O-])cc2)CC1 2325875606 XLXYXRCTEPUMQP-UHFFFAOYSA-N 394.435 2.813 5 50 GFBA COc1cccc([C@H]2C[C@@H](c3cccc([N+](=O)[O-])c3)Nc3nnnn32)c1OC 2914016 CHENRVIFIVKKIK-LSDHHAIUSA-N 382.380 2.745 5 50 GFBA COc1ccc(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC 1070631 IIFFVJQINMJXQC-UHFFFAOYSA-N 398.371 2.691 5 50 GFBA CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 1116977 AOGOLXQSQFIUGJ-UHFFFAOYSA-N 397.840 2.898 5 50 GFBA CCn1nccc1[C@H](C)NC(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2805362 HECDHIXVOXJAOP-ZDUSSCGKSA-N 384.396 2.535 5 50 GFBA COc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1[N+](=O)[O-] 1131663 JJTWHBALSVLCFG-MFOYZWKCSA-N 381.413 2.991 5 50 GFBA COc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)c([N+](=O)[O-])c1 4189732 RYWUNRFHNYFEAB-MRXNPFEDSA-N 384.392 2.982 5 50 GFBA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1190493 DUSAGORBEMCOHI-SFHVURJKSA-N 397.387 2.975 5 50 GFBA Cc1ccc(C(=O)/N=c2\[nH]c3ccc(S(C)(=O)=O)cc3s2)cc1[N+](=O)[O-] 9109383 KYVTXMDVSWYSDX-UHFFFAOYSA-N 391.430 2.591 5 50 GFBA Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccc(N)c1 2863948 PEPUGWFYAYIFLF-UHFFFAOYSA-N 384.421 2.703 5 50 GFBA COc1ccc(N2C3=[N+](CCCS3)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 5670650 YGHHAXIEJVSYGE-IBGZPJMESA-N 386.453 2.774 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20109645 FIDGVROMRQUMQG-QGZVFWFLSA-N 391.855 2.810 5 50 GFBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2 252441068 CWEYTWAYKGMFDH-PDOGEWKWSA-N 383.468 2.682 5 50 GFBA O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 132788942 JVOLZEDGQWZJFU-DGCLKSJQSA-N 398.257 2.700 5 50 GFBA CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 5064939 DTQBSOQGHXJVIF-KRWDZBQOSA-N 382.445 2.704 5 50 GFBA COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1O 15011076 ZCJSDDSJTBVOCF-ZROIWOOFSA-N 385.401 2.913 5 50 GFBA COc1ccccc1N1CC2=C(C1=O)[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2C 4784018 BJRYDWOJJLEOGL-GOSISDBHSA-N 394.387 2.600 5 50 GFBA COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@@H](COC)C3)n2)C1 221941689 PQOLFEDGBNQOJT-JKSUJKDBSA-N 378.473 2.715 5 50 GFBA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc21 1121944 KUKFSSQJJIXQOC-HXUWFJFHSA-N 384.388 2.821 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2ccccc2)CC1 1175372 FDQSRUXKHKOTHX-UHFFFAOYSA-N 384.436 2.754 5 50 GFBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 274295664 SCPCTJOBLLSMMX-QGZVFWFLSA-N 396.447 2.541 5 50 GFBA CC[C@H](C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1128027 PXZUROVHYIEDKV-LBPRGKRZSA-N 377.422 2.924 5 50 GFBA COc1cc(OC)cc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 19831636 GEGIKKOQJRVKCM-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA Cn1cc(C(=N)O)c([C@H]2CCCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 328607955 XRJNKKYCOBSJAK-NSHDSACASA-N 384.396 2.732 5 50 GFBA COCCOc1ccc(S(=O)(=O)Nc2c(F)ccc([N+](=O)[O-])c2C)cc1 225708088 NTMNPIYTMPOYLY-UHFFFAOYSA-N 384.385 2.868 5 50 GFBA CCn1nccc1CN(C)C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2795505 CGBMVCWZVOHBPB-UHFFFAOYSA-N 396.451 2.945 5 50 GFBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@@](O)(C(F)(F)F)CC1 288080164 ZEZXMJJJTPLYQE-INIZCTEOSA-N 399.325 2.768 5 50 GFBA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 1112757 FYNZETPACZNOSN-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA C=CC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 5494963 CBKSPBWYAXICIL-SNVBAGLBSA-N 397.671 2.880 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 1068828 ACEQBHFVHBMCFK-QMMMGPOBSA-N 397.185 2.791 5 50 GFBA COc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)NCc1ccccc1 4811003 RBFUWEFMMAOSCX-GOSISDBHSA-N 396.403 2.548 5 50 GFBA CCOC(=O)C1=C(c2ccc(OC)cc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 687123 WUAOZMJVYZMPQK-SFHVURJKSA-N 397.387 2.932 5 50 GFBA COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1OC 826477 AMCRMQJBXHSXSU-UHFFFAOYSA-N 399.201 2.518 5 50 GFBA O=C(O)C[C@@H](NS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686944 LXGWWTWJNYCXST-OAHLLOKOSA-N 398.824 2.884 5 50 GFBA O=C(c1n[nH]cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 328606209 QSSQJLQJPDRIMD-BFUOFWGJSA-N 394.391 2.562 5 50 GFBA Cc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)ccc1[N+](=O)[O-] 1056043 KOOOZEGQBOXGKD-UHFFFAOYSA-N 375.406 2.874 5 50 GFBA O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc12 4708645 ZDJIHTHTTYKUAL-UHFFFAOYSA-N 391.452 2.989 5 50 GFBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 862516 KVDZDVSPKABROQ-KRWDZBQOSA-N 382.376 2.870 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 2844251 DDCVQTQURMGWJZ-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA CCN(C[C@H]1CCOC1)C(=O)[C@@H]1CO[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 2332237874 PKSGBHLAYJAAPX-IKGGRYGDSA-N 391.468 2.605 5 50 GFBA Cc1nc(N2CC[C@](c3nc(C4CC4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-] 952894725 PRXFUFIIGKMULZ-AWEZNQCLSA-N 384.318 2.664 5 50 GFBA CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc([N+](=O)[O-])c1O 35812708 JUVHKUXXJAYFMB-RFAUZJTJSA-N 393.396 2.669 5 50 GFBA CCCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252461181 LCYPYTJALPJIBU-GKBIMXTCSA-N 383.556 2.869 5 50 GFBA biogenic COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c1 1182501 KAQDOJZWLTZSOK-UHFFFAOYSA-N 379.369 2.878 5 50 GFBA O=C(NC(=S)Nc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4855489 RKDQFQDDTIULGN-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA CC(C)(C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754966 ILZHXWJOLZPQOA-QGZVFWFLSA-N 395.415 2.717 5 50 GFBA O=C(CC[C@@H]1CCCOC1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 170652316 ATPBRHXIWGBVLX-HNNXBMFYSA-N 377.441 2.956 5 50 GFBA CC[C@H](C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754952 QBSAUYUTRCTFEZ-SCLBCKFNSA-N 395.415 2.717 5 50 GFBA CC(C)CNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1175021 OTLUXYGASMZFOV-UHFFFAOYSA-N 377.422 2.781 5 50 GFBA COC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 4687746 SAQDUGQOHISKBE-NTEUORMPSA-N 387.373 2.595 5 50 GFBA COC(=O)c1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 15012933 PBUXELIYALLXRJ-VMPITWQZSA-N 384.344 2.820 5 50 GFBA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O 2533596 GCXQDNKTAOBCIV-OCCSQVGLSA-N 375.406 2.807 5 50 GFBA CCNc1ccc(C(=O)N2[C@H](C(=O)OC)C[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] 239722308 CCARUKSCKPYHRS-VMGRFDJRSA-N 375.425 2.973 5 50 GFBA O=C(/C=C/c1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4701552 ZGPSPJUKTGEWRU-IZZDOVSWSA-N 396.472 2.831 5 50 GFBA CC(=O)OCCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 2939195 LUBJVVNLEMEDET-UHFFFAOYSA-N 384.344 2.936 5 50 GFBA COCCCn1ccc2nc3ccn(-c4ccccc4OC)c(=O)c3cc2c1=O 38828990 IDQVDWNKCKRBNJ-UHFFFAOYSA-N 391.427 2.746 5 50 GFBA CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(Cc1ccccc1)C2=O 4776452 CVKHKNUHEUXHPC-GOSISDBHSA-N 378.388 2.587 5 50 GFBA Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c(C)c1[N+](=O)[O-] 2325852612 MNGNXGRCALLYIL-UHFFFAOYSA-N 381.801 2.709 5 50 GFBA CCOc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 850463 SUJAPIQBDHTBJQ-UHFFFAOYSA-N 383.360 2.618 5 50 GFBA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N1 956262 DJGWXIBGIWJUPJ-MRXNPFEDSA-N 377.364 2.509 5 50 GFBA O=C(CCCc1c[nH]c2ccccc12)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 130211648 AIEQXCPCIXZLOL-PZJWPPBQSA-N 397.431 2.610 5 50 GFBA Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 246288168 IGXKJOZGMBJETA-YJBOKZPZSA-N 393.509 2.849 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1772492997 LCYPYTJALPJIBU-VXGWGNEKSA-N 383.556 2.869 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1 4703630 HVRDEHSFHXPOPI-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 1135547 FDLCRTVMUHZTHR-CSKARUKUSA-N 384.344 2.820 5 50 GFBA COC(=O)c1ccccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1181017 DXMVFAZJSNTQAU-MDZDMXLPSA-N 385.401 2.908 5 50 GFBA Cc1nc(-c2cccc(NC(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc34)c2)n[nH]1 111573853 BNBOJLMSWQMGBH-UHFFFAOYSA-N 390.359 2.782 5 50 GFBA COc1ccc(OC)c(-c2csc(NC(=O)Cn3cc([N+](=O)[O-])cn3)n2)c1 2755238 SCSKCFKHHXICOA-UHFFFAOYSA-N 389.393 2.571 5 50 GFBA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2cccc([N+](=O)[O-])c2)C3)cc1 6668408 ABMVSCUNHDTQIG-SFHVURJKSA-N 394.387 2.600 5 50 GFBA CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 672983 AWRKPXGZZFTRNK-UHFFFAOYSA-N 392.437 2.937 5 50 GFBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCC2)c1 1162780 VHKMWGNQRVMNMV-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA Cn1c(=O)c([N+](=O)[O-])c(N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 19809231 DSJUMZQGIHRGOY-UHFFFAOYSA-N 396.422 2.908 5 50 GFBA COc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC 1170379 FDOVRHNSZISZGR-UHFFFAOYSA-N 375.333 2.660 5 50 GFBA Cc1cc(Br)ccc1NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4582448 MTCDZZVUGFRUKV-UHFFFAOYSA-N 386.227 2.971 5 50 GFBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2c(F)c(F)c(Br)c(F)c2F)n1 2779643 QXLNPEHUEPWMPZ-UHFFFAOYSA-N 397.082 2.900 5 50 GFBA O=[N+]([O-])c1ccc2nccc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1 929085012 UIFQFMNPMCBDBE-UHFFFAOYSA-N 398.444 2.654 5 50 GFBA COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1 1396283 WUROYMSYHDXXLC-UHFFFAOYSA-N 384.797 2.531 5 50 GFBA O=c1ccccn1Cc1noc(-c2ccnc(-c3ccccc3)c2[N+](=O)[O-])n1 1875270704 XDAMARXBQSRFJX-UHFFFAOYSA-N 375.344 2.917 5 50 GFBA O=Cc1ccc(OCC(=O)NCCc2c[nH]c3cc(F)ccc23)c([N+](=O)[O-])c1 109264902 NYSJBGFOVAYLTL-UHFFFAOYSA-N 385.351 2.765 5 50 GFBA CCC(=O)OCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 1214673 IYHWODWXWIPSRD-UHFFFAOYSA-N 384.344 2.936 5 50 GFBA Cc1cc(C(=O)NCC(=O)Nc2cccc(Cn3ccnc3)c2)ccc1[N+](=O)[O-] 1875258897 OMZHJROBCVKHGX-UHFFFAOYSA-N 393.403 2.517 5 50 GFBA CC(=O)OCCCN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 2937271 IXMJKOWERUQJNA-UHFFFAOYSA-N 384.344 2.936 5 50 GFBA O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 4985699 SUMNRVDMBZPKJJ-AWEZNQCLSA-N 397.206 2.832 5 50 GFBA CCC(=O)Nc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])s1 9850757 ZMXKLINXYALPHI-UHFFFAOYSA-N 397.438 2.534 5 50 GFBA COc1ccc(OC[C@H](O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2829042 AUQGJAHXSLRFBC-SCBHQAGPSA-N 386.404 2.515 5 50 GFBA C[C@@H](c1ccsc1)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 185477136 GUXAJHLOUVNUEW-LBPRGKRZSA-N 385.449 2.776 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@H](c2nccn2C)C1 365647712 DZVHQFKJWNKVQY-KBPBESRZSA-N 387.440 2.544 5 50 GFBA CC(C)N1CC[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 170595066 JKBNMDJRCQHGKO-JTQLQIEISA-N 381.376 2.783 5 50 GFBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 187315936 ZCONIEKNUORJGP-UHFFFAOYSA-N 397.416 2.606 5 50 GFBA COC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCC2 649918 UQVCHFFSJWJUBI-UHFFFAOYSA-N 392.437 2.774 5 50 GFBA COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 725299 GBARESMQFRPCEK-UHFFFAOYSA-N 375.333 2.660 5 50 GFBA O=C(Nc1ccc2oc(=O)ccc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4759860 RXNHTTGVECSDLG-UHFFFAOYSA-N 395.371 2.790 5 50 GFBA CN1C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968558 GTFRELCRDZVNGO-ARFHVFGLSA-N 387.779 2.725 5 50 GFBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)COc1ccc(F)cc1 4917960 HGCSKJPJJVNCTJ-ZDUSSCGKSA-N 391.374 2.989 5 50 GFBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nccc(-c3ccccc3)n2)CC1 952892195 LDXRLGVDTHMDDC-UHFFFAOYSA-N 378.392 2.795 5 50 GFBA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 5053403 KLJKXVIRUYQVIO-YGRLFVJLSA-N 375.406 2.807 5 50 GFBA O=C(NCCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1Br 170593837 KPFSYILCQLMYFO-NSHDSACASA-N 387.230 2.530 5 50 GFBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1nc2cc(Cl)ccc2c(=O)o1 1134626 RKGFDNWJYLWOGY-UHFFFAOYSA-N 385.719 2.546 5 50 GFBA CCc1nn(C)c2[nH]nc(NC(=O)c3sc(Br)cc3[N+](=O)[O-])c12 225561929 VGXQCUVSTZVHOT-UHFFFAOYSA-N 399.230 2.843 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@@H]1c1nccn1-c1cccc(F)c1 952892251 MIEQYXQDGFBGNL-CQSZACIVSA-N 384.371 2.866 5 50 GFBA CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 854184 WFCWSXZXLPXQFX-UHFFFAOYSA-N 383.451 2.939 5 50 GFBA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 4708089 SVIIKHDANCCTIM-ZDUSSCGKSA-N 389.371 2.569 5 50 GFBA CC(C)N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 135681765 AKXLHONTKXYEAI-OKZBNKHCSA-N 381.388 2.850 5 50 GFBA CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C 170646216 IUJNQMFUPPEYIB-XLIONFOSSA-N 391.468 2.707 5 50 GFBA Cc1[nH]c2ccc(C(=O)N[C@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1C 130277903 UNFKMSSKOYZGEH-RTBURBONSA-N 383.404 2.517 5 50 GFBA COc1cc(F)c([N+](=O)[O-])c(N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)c1 225531858 BKKVHYDWWTXLBL-UHFFFAOYSA-N 399.419 2.599 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=O)NCCCn1cc(Br)cn1 5042023 BZUTUBGARQXCSJ-UHFFFAOYSA-N 398.217 2.774 5 50 GFBA O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 4558183 MFOZXROSMSPFPB-JXMROGBWSA-N 381.138 2.806 5 50 GFBA C[C@@H](c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)N1CCOCC1 241644615 PSFFEFQJQYXKHX-HNNXBMFYSA-N 387.443 2.698 5 50 GFBA CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 6262627 TYVNUTQTQXSLEG-MRVPVSSYSA-N 391.453 2.882 5 50 GFBA CC(C)[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2952417 QPHSONITEQZHAE-SFHVURJKSA-N 384.388 2.775 5 50 GFBA Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2753391 YRMIBDVNIPMLKG-UHFFFAOYSA-N 382.424 2.527 5 50 GFBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 247845213 PLHQAKCOJSHTIE-SIIHOXLZSA-N 398.419 2.727 5 50 GFBA COc1ccc(OC)c(-c2csc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)c1 653110 ULXQGPLFLVGZML-UHFFFAOYSA-N 389.393 2.721 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[C@@H](c2nccn2C)C1 365647714 DZVHQFKJWNKVQY-UONOGXRCSA-N 387.440 2.544 5 50 GFBA Cc1ccn2c(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)nnc2c1 225465539 KYSSNTSIJWSACU-UHFFFAOYSA-N 381.801 2.709 5 50 GFBA O=C1Nc2ccc(S(=O)(=O)NNc3ccc([N+](=O)[O-])cc3)c3cccc1c23 5214526 CHCPBACMWCYZSA-UHFFFAOYSA-N 384.373 2.619 5 50 GFBA O=C(c1cc([N+](=O)[O-])ccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4182176 SIJLUJCQLNVFPO-UHFFFAOYSA-N 392.318 2.744 5 50 GFBA C[C@@H](O)C[C@@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 252496910 PUVMCLBUWGPKEY-PWSUYJOCSA-N 394.815 2.515 5 50 GFBA O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 19841854 YKMRTCBVOUQJIV-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 239432846 WPHRMBDUDSNPAX-JSBGKLSNSA-N 389.205 2.915 5 50 GFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 14412262 JYWPXLAYSRLWKA-BJMVGYQFSA-N 384.344 2.820 5 50 GFBA Cc1cnc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1ccc(Cl)c(Cl)c1 1422367 UQTIUECFCYIIIV-UHFFFAOYSA-N 387.179 2.973 5 50 GFBA COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(N)=O)c1C 2102321 GIJSNQXLQYHBRI-UHFFFAOYSA-N 397.796 2.756 5 50 GFBA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1116135 WQEFBCCCYGECQY-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA O=C(CCCc1c[nH]c2ccccc12)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 130212063 AIEQXCPCIXZLOL-FPOVZHCZSA-N 397.431 2.610 5 50 GFBA CC(C)c1nnc2n1CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)[C@@H]2C 170603527 KOFRIMHDNIXFTL-CYBMUJFWSA-N 395.423 2.712 5 50 GFBA O=c1[nH]c(/C=C/c2ccccc2OCc2ccccc2F)c([N+](=O)[O-])c(=O)[nH]1 13592679 GDQGEUVCDSEEQM-MDZDMXLPSA-N 383.335 2.860 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 951459 YMCBMALFAPOVET-KRWDZBQOSA-N 397.387 2.863 5 50 GFBA O=C(NN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccco1 1200990 FDUPIPVBBJIGPM-UHFFFAOYSA-N 393.311 2.921 5 50 GFBA COc1ccc(CNC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)cc1 4751650 DZRMTTDNBYLRMT-UHFFFAOYSA-N 384.344 2.648 5 50 GFBA CNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)C(F)F)n1 4433458 DTNNKOVJEHZGHO-UHFFFAOYSA-N 376.270 2.844 5 50 GFBA Cc1ccsc1CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 4839559 LSNBOYNMJYSLMV-ZDUSSCGKSA-N 394.474 2.794 5 50 GFBA NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1cccc(Br)c1 2997648 LQSWZOSRXVQDGL-ZSOIEALJSA-N 390.193 2.614 5 50 GFBA CN(CC(=O)Nc1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 5060088 LKPLUELEUVQHED-UHFFFAOYSA-N 383.813 2.507 5 50 GFBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4982293 XIHGVGMYKNKGGW-XCVCLJGOSA-N 382.376 2.865 5 50 GFBA C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 1117814 HDHARYJBDBHLDQ-SNVBAGLBSA-N 383.813 2.554 5 50 GFBA CCn1cc(Br)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 5585611 PEBQJQAMOBAXCQ-UHFFFAOYSA-N 398.242 2.701 5 50 GFBA O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)NCCc1ccccc1 7018462 VJTKMZRRXUAAAB-UHFFFAOYSA-N 383.433 2.831 5 50 GFBA COC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@H](COC)C3)n2)C1 170610853 PQOLFEDGBNQOJT-HOTGVXAUSA-N 378.473 2.715 5 50 GFBA Cc1cc(O)c(C2=NCCS[C@H](c3ccc(O)c([N+](=O)[O-])c3)C2)c(=O)o1 17731050 LUEATPBAHKASEA-HNNXBMFYSA-N 376.390 2.935 5 50 GFBA Cn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc21 951697604 KTDJKGMBINELHP-XJKSGUPXSA-N 392.415 2.508 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3Cl)CC2)cc1 19842617 RBORKWFPBPQFKK-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA COc1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)cc1[N+](=O)[O-] 824742408 OJBYNOIQCLXABV-MRXNPFEDSA-N 378.425 2.853 5 50 GFBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccccc2)CC1 887163 GMVASQNJNBIEGP-UHFFFAOYSA-N 379.372 2.664 5 50 GFBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(C(F)(F)F)cc(=O)oc3c2)n1 656959 IZOFESUTUUKKIN-UHFFFAOYSA-N 382.254 2.706 5 50 GFBA Cc1ccsc1CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 4840114 YYXIHAJBWYUHTG-HNNXBMFYSA-N 394.474 2.794 5 50 GFBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952892649 PICNAYNHSHHCPP-UHFFFAOYSA-N 396.382 2.934 5 50 GFBA CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2905035 DPDWFDZECYOKMT-UHFFFAOYSA-N 391.449 2.562 5 50 GFBA COc1ccc(CSCC(=O)N2CCC(=O)CC23CCC3)cc1[N+](=O)[O-] 891836038 PGPZHQRFGFWIDO-UHFFFAOYSA-N 378.450 2.951 5 50 GFBA CCCC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 5063206 XMVKAOBDRKZGMZ-CQSZACIVSA-N 375.303 2.613 5 50 GFBA COc1ccc(C(=O)c2ccc(OC)c(OC)c2[N+](=O)[O-])c([N+](=O)[O-])c1OC 25579665 LWXHRZVSOFKIGG-UHFFFAOYSA-N 392.320 2.768 5 50 GFBA C[C@@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 112559571 JLCQVWXVBYMVOP-JTQLQIEISA-N 391.350 2.570 5 50 GFBA CC1(C)CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC2(CCCC2)O1 408263954 HKDHMINTACIHDL-UHFFFAOYSA-N 390.436 2.859 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 19842583 ACNGBMXPFDLMBG-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA CC(C)Cn1c(=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c2ccccc21 100331697 BQSFEUOKRHXQLF-UHFFFAOYSA-N 388.405 2.980 5 50 GFBA Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H](CCCN2C2CC2)C1 121679214 IGXKJOZGMBJETA-QAPCUYQASA-N 393.509 2.849 5 50 GFBA O=[N+]([O-])c1cccnc1N1CCC[C@H](c2n[nH]cc2I)C1 1875339918 COYMKMUAQSRKKZ-VIFPVBQESA-N 399.192 2.702 5 50 GFBA CC[C@@H](C)NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754951 QBSAUYUTRCTFEZ-FZKQIMNGSA-N 395.415 2.717 5 50 GFBA Cc1cc(NCC2(O)CCN(C(=O)c3cccc(F)c3)CC2)ncc1[N+](=O)[O-] 1775990188 DTGONZKNDDNZRL-UHFFFAOYSA-N 388.399 2.517 5 50 GFBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 1392143 OTEHUHFNVVBGEZ-PBHICJAKSA-N 385.474 2.636 5 50 GFBA COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 845622 ZUIIKXSJXVPQKJ-QGZVFWFLSA-N 382.376 2.870 5 50 GFBA CCn1ccc(-c2nnc(SCn3nc(C)c([N+](=O)[O-])c3C)n2CC)n1 2786157 GKAQUTMSQNSPKT-UHFFFAOYSA-N 376.446 2.653 5 50 GFBA CCOc1ccc(Br)cc1/C=C/c1nc(O)c([N+](=O)[O-])c(=O)[nH]1 5080716 LORJZAZUZWTKNK-ZZXKWVIFSA-N 382.170 2.715 5 50 GFBA CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 156749679 LENFXYUXWSENLQ-GDLCADMTSA-N 390.408 2.841 5 50 GFBA CC(=O)N(c1ccc(Nc2ncc([N+](=O)[O-])c(=NC3CC3)[nH]2)cc1)[C@H]1C[C@@H]1C 2325703907 KYPSDHOYWAQSIH-ZBEGNZNMSA-N 382.424 2.886 5 50 GFBA O=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4134540 RRKJMUPYYYTTHR-ZDUSSCGKSA-N 384.797 2.743 5 50 GFBA COc1cccc2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc12 841077 GKGXCRNDVCIYOU-UHFFFAOYSA-N 383.312 2.750 5 50 GFBA O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2c(c3ccccc3oc2=O)O1 1427239 HCHHFQGGCLGOIX-LLVKDONJSA-N 381.296 2.871 5 50 GFBA COc1ccc(CNC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)cc1 679928 YZMHCMFLUHZCAB-UHFFFAOYSA-N 384.392 2.988 5 50 GFBA C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2 252441069 CWEYTWAYKGMFDH-RGZWJVDOSA-N 383.468 2.682 5 50 GFBA C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 12463790 GPYKERXVRPIYND-BHTHQVBYSA-N 393.193 2.580 5 50 GFBA Cc1ccc2nc(NC(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)sc2c1 2885259 NPMVJJMYSLDHBR-UHFFFAOYSA-N 396.384 2.748 5 50 GFBA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]12 101356272 GPYKERXVRPIYND-CRJCFHLZSA-N 393.193 2.580 5 50 GFBA COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1O 95117850 BIAYWIAXTZZIMK-UHFFFAOYSA-N 387.436 2.635 5 50 GFBA CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCN(C[C@H]2CCOC2)CC1 170633095 ARHQSWMMOAPSPZ-CYBMUJFWSA-N 381.860 2.821 5 50 GFBA CCc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 19842586 XXQLYMQJNVIHFC-UHFFFAOYSA-N 389.477 2.664 5 50 GFBA CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1 6262653 TYVNUTQTQXSLEG-QMMMGPOBSA-N 391.453 2.882 5 50 GFBA COc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1OC 19567929 CYQWEGKIUNVDIM-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA COC(=O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 3883357 KBYFODCBXYUVRQ-UHFFFAOYSA-N 377.275 2.911 5 50 GFBA O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663589 MWPBSUKOPIFDQD-KRXBUXKQSA-N 381.388 2.686 5 50 GFBA O=C(NC(=S)Nc1ccc(Br)cn1)c1ccccc1[N+](=O)[O-] 1171397 GFSSKFVKVOYATH-UHFFFAOYSA-N 381.211 2.879 5 50 GFBA CCOCCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2776300 HIDVVMXHWITYEZ-MRXNPFEDSA-N 377.397 2.535 5 50 GFBA COC(=O)c1ccccc1NC(=O)CCCn1nc([N+](=O)[O-])c(Cl)c1C 2886162 ZJMMWGOATLZMAB-UHFFFAOYSA-N 380.788 2.959 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)cc1 2781074 WVLADZSBACFUON-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 952891559 FYQXDZHWMWSABF-UHFFFAOYSA-N 380.408 2.728 5 50 GFBA CCSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)c([N+](=O)[O-])c1 4144261 UZRQWJWZDFZFHG-HNNXBMFYSA-N 379.438 2.827 5 50 GFBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 1201953 GSUCXRIRICNJGN-KRWDZBQOSA-N 382.376 2.870 5 50 GFBA COC(=O)c1cccc(-c2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)c1 4742512 ONALWMIHBHUWRW-FNORWQNLSA-N 383.316 2.601 5 50 GFBA CCOc1ccc(-c2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 6355383 XLCUHXFUWXXVSL-LFIBNONCSA-N 394.412 2.673 5 50 GFBA O=C(c1ccco1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4998195 UIGIYLHGSWYQEF-UHFFFAOYSA-N 388.399 2.890 5 50 GFBA CCCN(C(=O)OC(C)C)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 25668731 YPCAWMAYEDVHLM-UHFFFAOYSA-N 389.386 2.668 5 50 GFBA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 2853746 GVEDFEMFXPMIGV-ZDUSSCGKSA-N 377.422 2.517 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1 20028515 YDDQGNCSMKAXFV-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA CN(C)CC1(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CCC1 225577152 QUWMOADWTMRUEL-UHFFFAOYSA-N 381.376 2.785 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@H](O)CN(CCCO)[C@@H]1CCc2ccccc21 248467510 SWGMWUOWBQGZSL-IEBWSBKVSA-N 386.448 2.706 5 50 GFBA CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 786464 XZMLUBIDRKGETF-UHFFFAOYSA-N 377.422 2.878 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1[C@H]1C[C@H]2CC[C@H]1C2 101547409 HGKLHELLRARIHK-HUBLWGQQSA-N 388.453 2.982 5 50 GFBA C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 1392145 OTEHUHFNVVBGEZ-YOEHRIQHSA-N 385.474 2.636 5 50 GFBA CC[C@@H]1SC2=NC(C)=C(C(=O)OC)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O 2695538 GCXQDNKTAOBCIV-JSGCOSHPSA-N 375.406 2.807 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncn2Cc2ccccc2)c(Cl)c1 225397816 ZWFPYSWYZSXBTR-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA CCn1cnc2c1CCN(C(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2 886625908 FIYJTAQTJYXXON-UHFFFAOYSA-N 386.455 2.956 5 50 GFBA COc1ccc(OC[C@@H](O)CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2829040 AUQGJAHXSLRFBC-CEUCYRDJSA-N 386.404 2.515 5 50 GFBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] 4877424 OSUVUJQGZNCUFN-UHFFFAOYSA-N 389.433 2.940 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@H]5O)[C@@H](CC)[C@H]2O 253487496 LCYPYTJALPJIBU-JGZIRDJRSA-N 383.556 2.869 5 50 GFBA biogenic O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 3878786 BCBPTHPDIOOZIR-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 4687311 GVQWKRBLVCCVSU-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA CCc1ccc(-n2nnnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2882975 BSGJDNZNXSVPQF-UHFFFAOYSA-N 384.421 2.864 5 50 GFBA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 1128985 HZAGQXFUYUOXTN-QGZVFWFLSA-N 391.391 2.817 5 50 GFBA O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 101991379 TWJKYTHXLSWGFA-UHFFFAOYSA-N 392.284 2.843 5 50 GFBA COC(=O)c1cc(N2CCOC[C@H]2C[C@@H](O)c2cccs2)ccc1[N+](=O)[O-] 229865967 YLBBASGDYUZGAP-CZUORRHYSA-N 392.433 2.772 5 50 GFBA Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c3nonc23)cc1[N+](=O)[O-] 2805945 AOXOMMKJWQWMIQ-UHFFFAOYSA-N 383.364 2.528 5 50 GFBA COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCC(C)C 4557583 XLGVHOHUSLLTHV-GQCTYLIASA-N 375.381 2.988 5 50 GFBA Cc1nc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2 100916470 VKLVUOYTJOZIEC-INIZCTEOSA-N 398.444 2.996 5 50 GFBA [O-][n+]1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)[n+]([O-])c2ccccc21 169713088 SOMGZOGZBYWRNV-UHFFFAOYSA-N 380.367 2.746 5 50 GFBA CCOc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)O)cc2)cc1[N+](=O)[O-] 263125465 SLXKWUQREJTSBP-GFCCVEGCSA-N 388.376 2.948 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCCCC2)N2CCCCC2)cc1 2857555 UWHKGMAZFDNPRL-GOSISDBHSA-N 395.525 2.709 5 50 GFBA COc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)cc([N+](=O)[O-])c1O 5283772 LMYNCVKTPZQXJN-UHFFFAOYSA-N 385.420 2.834 5 50 GFBA C[N+]1(C)CCc2cc3c(cc2[C@@H]1[C@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 629249 WDIQXKYUSINZME-MOPGFXCFSA-N 382.392 2.729 5 50 GFBA biogenic,in-vitro O=C(Cn1ccc([N+](=O)[O-])n1)Nc1sc2c(c1C(=O)c1ccncc1)CCC2 187313356 GJAPEKJESPIIFY-UHFFFAOYSA-N 397.416 2.606 5 50 GFBA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1 672383 CXJXHEQCCRRHQN-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1062396 ZFFUUAQYFAIOLI-UHFFFAOYSA-N 383.813 2.799 5 50 GFBA COc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(c2ccc([N+](=O)[O-])cc2)C3)cc1 4727967 GNNXWGCMVGGHGR-SFHVURJKSA-N 394.387 2.600 5 50 GFBA COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1190488 DUSAGORBEMCOHI-GOSISDBHSA-N 397.387 2.975 5 50 GFBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccc(N3C(=O)C=CC3=O)cc1)CCC2 252460247 CWEYTWAYKGMFDH-YIGJPRQDSA-N 383.468 2.682 5 50 GFBA biogenic CCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4748871 DPGSCILKDLXQRU-UHFFFAOYSA-N 382.420 2.906 5 50 GFBA Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1[N+](=O)[O-] 19866979 YATALRNZQPRMIY-UHFFFAOYSA-N 383.404 2.590 5 50 GFBA Cc1cccc2c(CC(=O)NS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)c[nH]c12 122208704 HRWRRUHXHZWMBG-UHFFFAOYSA-N 387.417 2.573 5 50 GFBA CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)CC1 1220671 GYCKNZYHCBQMFM-UHFFFAOYSA-N 382.420 2.824 5 50 GFBA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2830891 OGPCXTFAXKTITE-UHFFFAOYSA-N 377.422 2.926 5 50 GFBA Cc1cc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] 4881485 SVFBASLDPMNIBH-UHFFFAOYSA-N 391.374 2.909 5 50 GFBA COC(=O)[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(O)c1 170598082 OXWAOELBLGIIJS-INIZCTEOSA-N 380.784 2.966 5 50 GFBA CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252515533 LENFXYUXWSENLQ-ZLKJLUDKSA-N 390.408 2.841 5 50 GFBA Cc1cccc(Cn2nc(C)cc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1 1431349 BJBQKGFKYQDAKO-UHFFFAOYSA-N 382.424 2.908 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 2755635 YDOVPHYUWUUGRE-HNNXBMFYSA-N 379.438 2.861 5 50 GFBA C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@H]1NC(=S)N2c1ccccc1 1392142 OTEHUHFNVVBGEZ-RHSMWYFYSA-N 385.474 2.636 5 50 GFBA CC1(C)[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 408446594 NKVJYNOJROPGGU-AOOOYVTPSA-N 375.244 2.634 5 50 GFBA O=C(O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 4134538 LWSOOILSFLGAJX-ZDUSSCGKSA-N 384.797 2.743 5 50 GFBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4687541 AHPUDEPNDCYBTA-UHFFFAOYSA-N 385.464 2.986 5 50 GFBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1Cl 253424592 IEOULMOCNBHHLP-UHFFFAOYSA-N 388.192 2.974 5 50 GFBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 55543418 IAXSXQABTXUAGF-CQSZACIVSA-N 379.457 2.692 5 50 GFBA O=C(OCC1COCCOC1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 2325805930 FYAGYKGVJLODFO-UHFFFAOYSA-N 389.354 2.779 5 50 GFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2877059 VQXFMFLPINPKBO-AWEZNQCLSA-N 389.433 2.634 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3nonc23)c(Br)c1 408518529 MHTQEJNETJLCJP-UHFFFAOYSA-N 399.182 2.694 5 50 GFBA O=C(c1ccccc1O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 726359 PTKJTYPESNROCA-INIZCTEOSA-N 395.293 2.910 5 50 GFBA Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 4662684 OBPIXZWOIURTTG-LZCJLJQNSA-N 397.416 2.938 5 50 GFBA COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1cccc([N+](=O)[O-])c1 20606349 PBVFKYFRFXPQHP-DOTOQJQBSA-N 390.417 2.971 5 50 GFBA C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]12 101356267 GPYKERXVRPIYND-GVAFMPQTSA-N 393.193 2.580 5 50 GFBA CC1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 18068253 RGIBTVLGQIQDQP-GASCZTMLSA-N 397.497 2.629 5 50 GFBA Cn1c(=O)c2c(-c3ccccc3)n(-c3cccc([N+](=O)[O-])c3)cc2n(C)c1=O 1119677 RLJXTLZUNAYAJJ-UHFFFAOYSA-N 376.372 2.603 5 50 GFBA CC(C)c1nnc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 2746250 DURGAROOKWMFDS-VMPITWQZSA-N 376.394 2.765 5 50 GFBA O=C(NCCn1cc([N+](=O)[O-])cn1)Nc1cccc(-c2ncc3n2CCCC3)c1 225679764 LLGCUPJKOKFTLW-UHFFFAOYSA-N 395.423 2.813 5 50 GFBA COC(C[S@@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)OC 4566383 MBWABGNEDLHPGQ-VWLOTQADSA-N 398.462 2.763 5 50 GFBA CC(=O)Oc1ccc([C@@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 4753601 IKWOCCNFHNGBJY-LJQANCHMSA-N 383.360 2.933 5 50 GFBA O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)nc3nc4ccccc4n3c2N1 4624387 LZBSHLXLPNCTMF-LBPRGKRZSA-N 375.344 2.970 5 50 GFBA COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@@H](C)C2 2092715 CAVWZRBKLFQUND-SECBINFHSA-N 392.437 2.711 5 50 GFBA Cc1ccc(NC(=O)c2ccc(N(CCO)CCO)c([N+](=O)[O-])c2)cc1Cl 4706818 KFLMYNNKFCTSIW-UHFFFAOYSA-N 393.827 2.600 5 50 GFBA CCOC(=O)c1c(NC(=O)[C@@H](C)Cn2cc([N+](=O)[O-])cn2)sc(C)c1C 2784467 QGPUZWLBFFCKBY-VIFPVBQESA-N 380.426 2.921 5 50 GFBA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 672381 DQHBXGPICFBMPJ-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA CCOC(=O)[C@@H](CSC(=O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C 4014091 RKZLICUXSJJYJX-CYBMUJFWSA-N 398.437 2.925 5 50 GFBA CC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 777975 DFSNYFIXFWVLLH-SECBINFHSA-N 385.660 2.714 5 50 GFBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccn1 1131864 PUXTWGXQYOOUKW-YTCBPCPPSA-N 397.390 2.867 5 50 GFBA COC(=O)[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(OC)c(O)c1 170598083 OXWAOELBLGIIJS-MRXNPFEDSA-N 380.784 2.966 5 50 GFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)C1 252452353 DLKBIUVMWNUKFF-RPVQJOFSSA-N 397.497 2.731 5 50 GFBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 2755252 ZDBVICHEQZMWNS-UHFFFAOYSA-N 393.403 2.553 5 50 GFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccncc1 705330 SYRJGRXSVZQSTL-OAHLLOKOSA-N 380.282 2.599 5 50 GFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc(C(=O)O)cc1 2742294 PSAUYFCOZFYJPC-UHFFFAOYSA-N 386.389 2.578 5 50 GFBA NC(=O)C1CCN(c2c(-c3ccccc3)c3cc([N+](=O)[O-])ccc3[nH]c2=O)CC1 1123113 VVFMFLFGWAIEJR-UHFFFAOYSA-N 392.415 2.805 5 50 GFBA COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2068384 SKMLMUAKHZYITK-UHFFFAOYSA-N 386.360 2.748 5 50 GFBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccco3)n2)cc1 12374929 JTRDRQMZRBOZSX-UHFFFAOYSA-N 380.320 2.740 5 50 GFBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F 4561432 SNQAKAAOOHBMCV-UHFFFAOYSA-N 388.424 2.571 5 50 GFBA COC(=O)c1sccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2767137 DXTYXFVJPMKGDD-UHFFFAOYSA-N 376.350 2.533 5 50 GFBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)CCCC1=O 2880019 QJQPRBAUARVILS-UHFFFAOYSA-N 385.351 2.830 5 50 GFBA CCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100627745 XBBBRIKSBSHYDI-CQSZACIVSA-N 387.443 2.640 5 50 GFBA COc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 881993 FNXFOBIIICNRKV-UHFFFAOYSA-N 391.405 2.747 5 50 GFBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20138012 ZRURSBGKRIITQM-XBXARRHUSA-N 395.415 2.681 5 50 GFBA Cc1c(Br)cc(C(=O)OCc2ccc([N+](=O)[O-])cc2F)c(=O)n1C 768938004 ZPYGPXLPRQWIGF-UHFFFAOYSA-N 399.172 2.861 5 50 GFBA CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 956286 KHDXAMQFHOMKNU-MRXNPFEDSA-N 377.364 2.509 5 50 GFBA COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cnc4ccccc4n23)cc1 804802 RZWJHAFEMZYUJR-UHFFFAOYSA-N 386.411 2.714 5 50 GFBA CCOc1ccccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 670598 UBPDUJMIBJJCFX-UHFFFAOYSA-N 391.449 2.504 5 50 GFBA CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 2879647 UGLOKTRVRNNBGQ-UHFFFAOYSA-N 377.422 2.553 5 50 GFBA CCN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 4998618 KAALVHHDRHLPQP-UHFFFAOYSA-N 384.436 2.754 5 50 GFBA C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]5C[C@H]4[C@H]3[C@@H]5O)cc2[N+](=O)[O-])C1 253417315 ZZZMJMXLSAPXGX-AJIKHSFGSA-N 385.464 2.672 5 50 GFBA COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1[N+](=O)[O-] 1162508 LSPFBSAQWONNRY-QGZVFWFLSA-N 376.752 2.670 5 50 GFBA O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2[nH]ncc2CN2CCCC2)C1 253419211 AYCXXBRRLNQTDU-HNNXBMFYSA-N 383.452 2.934 5 50 GFBA CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1151359 DHCCNJMVVCDDFS-LLVKDONJSA-N 383.360 2.617 5 50 GFBA Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4740977 OYFREVIYANQVJT-UHFFFAOYSA-N 379.413 2.553 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1[N+](=O)[O-] 4838757 QMKRACMXKDIULA-OAHLLOKOSA-N 379.438 2.861 5 50 GFBA CC(=O)N(c1ccc(Nc2ncc([N+](=O)[O-])c(=NC3CC3)[nH]2)cc1)[C@@H]1C[C@H]1C 2325703904 KYPSDHOYWAQSIH-BDJLRTHQSA-N 382.424 2.886 5 50 GFBA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 5892078 FEUDCKTXWIBMCA-CQSZACIVSA-N 388.361 2.945 5 50 GFBA CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252515532 LENFXYUXWSENLQ-LERXQTSPSA-N 390.408 2.841 5 50 GFBA CCOc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1 1429837 LRJMBMHQFMHNGM-UHFFFAOYSA-N 383.202 2.900 5 50 GFBA CN1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 238899595 GTFRELCRDZVNGO-BZUAXINKSA-N 387.779 2.725 5 50 GFBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccnc1 1891936 GAZDUHODCCKHBY-UHFFFAOYSA-N 390.402 2.531 5 50 GFBA CCCCCCn1c(=O)c(F)cn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 2291842 RCFMINGJGKEISZ-UHFFFAOYSA-N 379.388 2.695 5 50 GFBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nc2ccccc2s1 36191649 VEEHBOQNQBQPOO-UHFFFAOYSA-N 397.460 2.965 5 50 GFBA CC(C)(C)OC(=O)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 267395994 OLEIFJJFRAFUKL-LBPRGKRZSA-N 377.397 2.719 5 50 GFBA O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2CCN2CCNCC2)CCCC3)cc1 958920 PZFLEKHCBSECAG-UHFFFAOYSA-N 399.520 2.972 5 50 GFBA COc1ccc(N2C3=[N+](CCCS3)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 5670651 YGHHAXIEJVSYGE-LJQANCHMSA-N 386.453 2.774 5 50 GFBA CCOC(=O)[C@@H]1/C(=C/Cl)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 227144178 AXKBUKCGIZQYPM-KTDOTMJKSA-N 394.811 2.988 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 19842623 MBTIKNSQSFVODJ-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4980366 HUNQPHOYELSISH-UHFFFAOYSA-N 380.378 2.581 5 50 GFBA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)cc1[N+](=O)[O-] 4991291 NELMJURKBWYMHB-GDLCADMTSA-N 391.811 2.748 5 50 GFBA CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)Nc1cnc2c(F)cccc2c1 1875300112 LOLMGOBIQQCGNZ-UHFFFAOYSA-N 396.378 2.922 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] 4818939 LTCFMFLOUJHDNC-UHFFFAOYSA-N 379.413 2.553 5 50 GFBA O=C(c1cccnc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4994041 PJVAADUCMALXFD-UHFFFAOYSA-N 380.326 2.971 5 50 GFBA O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCC(=O)c1cccc([N+](=O)[O-])c1 4740689 NYKBZPHCXWVJED-UHFFFAOYSA-N 399.355 2.755 5 50 GFBA Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1C 1200324 YNHQNQKQMBLODK-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA CCn1ccnc1CN(C(=O)c1csc([N+](=O)[O-])c1)[C@@H]1CC12CCNCC2 376677187 BSDCVYSOXKQAGQ-CQSZACIVSA-N 389.481 2.657 5 50 GFBA COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 2736846 PKSBWIPBIWBNMU-UHFFFAOYSA-N 378.362 2.790 5 50 GFBA O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 1171048 BBOUENIAIQGTKN-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1208546 JRLJUBSNTYUYNC-OAHLLOKOSA-N 380.356 2.601 5 50 GFBA CN(C)CCCNc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-] 4164480 OFTZXYDOJDKCAC-UHFFFAOYSA-N 381.436 2.872 5 50 GFBA O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2[nH]ncc2CN2CCCC2)C1 253419214 AYCXXBRRLNQTDU-OAHLLOKOSA-N 383.452 2.934 5 50 GFBA Cc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 40286509 GGSHEEQCVTXXBP-UHFFFAOYSA-N 376.420 2.632 5 50 GFBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)Cc1ccccc1 4687454 AGNMOSXKDSKQJO-HNNXBMFYSA-N 375.450 2.635 5 50 GFBA C[C@@](O)(CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cccc(Cl)c1 170596237 YLIRTIQFPZSFSF-MRXNPFEDSA-N 379.756 2.794 5 50 GFBA O=C(NN1C(=O)S/C(=C\c2ccccc2O)C1=O)c1ccc([N+](=O)[O-])cc1 22170590 QFLJGWNUPXDOQQ-ZROIWOOFSA-N 385.357 2.682 5 50 GFBA O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1Nc1ccc(Br)cc1 4758811 XRHPMNJAYFZYEW-UHFFFAOYSA-N 376.170 2.920 5 50 GFBA COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 5041953 AJOSLCKWHYXIGZ-UHFFFAOYSA-N 386.408 2.966 5 50 GFBA CCCC1=NN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 5063208 XMVKAOBDRKZGMZ-AWEZNQCLSA-N 375.303 2.613 5 50 GFBA O=C([C@H]1C[C@@]12CCOc1ccc(F)cc12)N1CCc2ncc([N+](=O)[O-])cc2C1 328608120 YAYCCLHSTJZWND-OXQOHEQNSA-N 383.379 2.754 5 50 GFBA NC(=O)C1CCN(C(=O)c2cc(F)cc3c(O)c4cc(F)ccc4nc23)CC1 275560392 WEJRNFCNEDRQSY-UHFFFAOYSA-N 385.370 2.709 5 50 GFBA O=[N+]([O-])c1c(Nc2ccc(CCO)cc2)ncnc1Nc1ccc(CCO)cc1 4623371 HVNYUXGJLMAXFC-UHFFFAOYSA-N 395.419 2.942 5 50 GFBA C=CC(=O)N1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)CC1 1875382901 WRRHJPNSVSCZLF-UHFFFAOYSA-N 382.214 2.720 5 50 GFBA O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 20045122 SQBZTWHVCKWEAY-UHFFFAOYSA-N 384.223 2.583 5 50 GFBA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[C@@H]31 239432848 WPHRMBDUDSNPAX-XQLQCCRHSA-N 389.205 2.915 5 50 GFBA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] 15306843 FAJFNVJJPZQXPU-AWEZNQCLSA-N 393.440 2.942 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCc1ccc(Cl)cc1 19419177 JTDLMKJLMBLKIE-UHFFFAOYSA-N 390.871 2.975 5 50 GFBA COC(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 2876353 UAMPTCOLVAJEDX-UHFFFAOYSA-N 386.389 2.989 5 50 GFBA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1cccc([N+](=O)[O-])c1 5053396 KLJKXVIRUYQVIO-HZMBPMFUSA-N 375.406 2.807 5 50 GFBA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1171901 ZODUKHPKEPULJR-INIZCTEOSA-N 391.177 2.770 5 50 GFBA COC(C[S@](=NS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)OC 3124063 MBWABGNEDLHPGQ-RUZDIDTESA-N 398.462 2.763 5 50 GFBA CC(C)c1nc([C@@H]2CCCCN2C[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 289648195 FZKXJDRVYDZFJY-HOCLYGCPSA-N 389.456 2.803 5 50 GFBA CSc1ccc(C(=O)NCCN=c2[nH]cnc3ccc([N+](=O)[O-])cc23)cc1 328591407 IETYIAJLKIZZLP-UHFFFAOYSA-N 383.433 2.524 5 50 GFBA O=[N+]([O-])c1ccc2nc(CN3CCN(c4ncnc5sccc45)CC3)[nH]c2c1 444642042 QGEUNXPLXFCVPK-UHFFFAOYSA-N 395.448 2.798 5 50 GFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccncc1 705329 SYRJGRXSVZQSTL-HNNXBMFYSA-N 380.282 2.599 5 50 GFBA C[N+]1(C)CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3 629244 WDIQXKYUSINZME-RBUKOAKNSA-N 382.392 2.729 5 50 GFBA biogenic,in-vitro Cc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 4302962 PIGIRUUYSICALP-SJORKVTESA-N 387.417 2.515 5 50 GFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCc1ccc2c(c1)OCO2 1079801 YONUBLOXHZXSBS-UHFFFAOYSA-N 386.389 2.608 5 50 GFBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4740930 AQAVSIABZAPDTG-MRXNPFEDSA-N 390.484 2.880 5 50 GFBA CCOC(=O)N1CCN(c2cc(NC[C@@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 4622502 KQLOLXZEZBKSHQ-ZDUSSCGKSA-N 396.419 2.603 5 50 GFBA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] 1140329 JTPVMHBCLMNXMY-UHFFFAOYSA-N 386.433 2.558 5 50 GFBA Nc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(Br)cc1 3880263 VGYKGRXBPUIOTL-UHFFFAOYSA-N 379.166 2.979 5 50 GFBA COC(=O)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 18219745 RQRDZWLYKSTGLC-UHFFFAOYSA-N 386.389 2.989 5 50 GFBA O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1c1cc(S(=O)(=O)O)ccc1Cl 4005942 XRCBFJQOLWKEBA-UHFFFAOYSA-N 395.780 2.636 5 50 GFBA CC(C)N1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 170595067 JKBNMDJRCQHGKO-SNVBAGLBSA-N 381.376 2.783 5 50 GFBA Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1110964 LFSDYHGIIDUMQE-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncn2-c2ccccc2)c(Cl)c1 225532198 DALLEXNINQUIHE-UHFFFAOYSA-N 379.785 2.630 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1F 1429868 CVEQIPOETASWRV-UHFFFAOYSA-N 375.129 2.779 5 50 GFBA O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1131862 PUXTWGXQYOOUKW-JVVKFSLBSA-N 397.390 2.867 5 50 GFBA Cc1cccc(NC(=O)c2ccc(NCCCN3CCOCC3)c([N+](=O)[O-])c2)n1 20472131 ZBKOENZFEJRJCB-UHFFFAOYSA-N 399.451 2.685 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@@H](c2nccn2C)C1 365647715 DZVHQFKJWNKVQY-ZIAGYGMSSA-N 387.440 2.544 5 50 GFBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Br)cc1[N+](=O)[O-] 239432847 WPHRMBDUDSNPAX-MUAIWGBPSA-N 389.205 2.915 5 50 GFBA O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 1171900 ZODUKHPKEPULJR-MRXNPFEDSA-N 391.177 2.770 5 50 GFBA COC(=O)c1c(NC(C)=O)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2916943 ADZGIPNOBCMRDN-UHFFFAOYSA-N 377.378 2.962 5 50 GFBA CCn1nc(C)c(S(=O)(=O)Nc2ncc(-c3ccc([N+](=O)[O-])cc3)[nH]2)c1C 888096809 MRGUBQGTVKIDMR-UHFFFAOYSA-N 390.425 2.619 5 50 GFBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl 1136996 AGNQDAJMBFITQU-UHFFFAOYSA-N 383.813 2.653 5 50 GFBA O=C(c1ccc2c(c1)OCO2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 5041260 ANLUMXPFTQZUQP-UHFFFAOYSA-N 389.795 2.939 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1[C@@H]1C[C@H]2CC[C@H]1C2 101547403 HGKLHELLRARIHK-SLEUVZQESA-N 388.453 2.982 5 50 GFBA O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 19831416 CJQOEZBDFGTZAQ-UHFFFAOYSA-N 395.868 2.755 5 50 GFBA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)cc1[N+](=O)[O-] 4543907 RHHYEMZKZPTFFZ-UHFFFAOYSA-N 379.413 2.553 5 50 GFBA CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 1122152 IQJXZTJSBMIFCE-UHFFFAOYSA-N 383.813 2.653 5 50 GFBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1c(F)cccc1Cl 2850575 QZFDOOZXFIMKNS-UHFFFAOYSA-N 392.726 2.727 5 50 GFBA O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100292830 MDVCUXQIKDIHNJ-UHFFFAOYSA-N 377.225 2.572 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(Cc2ccc(F)cc2)c1 17076919 MZDGIWAGPHEBJV-UHFFFAOYSA-N 376.369 2.780 5 50 GFBA O=c1nc(C2CCN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC2)[nH][nH]1 225812153 BXYONWVIHFSVJA-UHFFFAOYSA-N 384.371 2.591 5 50 GFBA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 4580706 CDEBSDOGADQHIH-CQSZACIVSA-N 388.376 2.948 5 50 GFBA CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4949553 OXOPYJPMGGYHES-UHFFFAOYSA-N 392.389 2.570 5 50 GFBA Cn1cc([N+](=O)[O-])c(-c2ccn3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)n1 13961204 PFJAZHZDLISSLT-UHFFFAOYSA-N 397.782 2.944 5 50 GFBA COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 19552369 BAHVJPRVPFNWFO-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA COC(=O)[C@H](NCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(C)c1 170597037 TVDINLJVIXTQJF-GOSISDBHSA-N 389.383 2.875 5 50 GFBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] 239378312 ONVZBPNGXVPCMU-XMTFNYHQSA-N 387.392 2.800 5 50 GFBA CN(C)CCc1ccc(NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 111600226 NEFLVBLZGQJESI-UHFFFAOYSA-N 380.404 2.793 5 50 GFBA CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 328603502 GFILHQJATOTELT-ZDUSSCGKSA-N 394.435 2.952 5 50 GFBA Cc1[nH]c2ccc(C(=O)N[C@H](CO)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1C 130278302 UNFKMSSKOYZGEH-MOPGFXCFSA-N 383.404 2.517 5 50 GFBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 2877058 VQXFMFLPINPKBO-CQSZACIVSA-N 389.433 2.634 5 50 GFBA O=c1c2cc3c(=O)n(C4CCCCCC4)ccc3nc2ccn1-c1ncn[nH]1 40287529 NSASBQBTEPYFFU-UHFFFAOYSA-N 376.420 2.714 5 50 GFBA O=c1c(Cl)c(O)c2c1c1c(O)c(Cl)c(=O)c1c1c(O)c(Cl)c(=O)c21 2519508 ZVEXCECZVAOZLG-UHFFFAOYSA-N 385.542 2.617 5 50 GFBA CC(C)(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C1=O 245234498 BGEBNCFBGNHABL-WUZBVLBZSA-N 383.408 2.569 5 50 GFBA COc1c(O)ccc(CN2CC[C@@](O)(Cc3cccc(F)c3)C2)c1[N+](=O)[O-] 1875287973 IKSIHMDBHQWWJV-LJQANCHMSA-N 376.384 2.628 5 50 GFBA CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21 100627817 LBYTYTFRIQXMQJ-UHFFFAOYSA-N 379.464 2.519 5 50 GFBA CCCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 252461182 LCYPYTJALPJIBU-MECPEGDPSA-N 383.556 2.869 5 50 GFBA biogenic NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br 1144960 DTMQBWOYICYATA-NTEUORMPSA-N 390.193 2.614 5 50 GFBA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1cccc([N+](=O)[O-])c1 20606348 PBVFKYFRFXPQHP-WBVHZDCISA-N 390.417 2.971 5 50 GFBA O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[C@@H]31 239328982 JYWITWNOMPNEIU-XQLQCCRHSA-N 389.205 2.915 5 50 GFBA COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] 5063737 IAWYAEFHZYNINC-UHFFFAOYSA-N 399.384 2.837 5 50 GFBA CC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 6211631 HIXNHFPMQBELNN-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA COC(=O)c1cc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 12467112 NOLCRWHFTGDDQX-BQYQJAHWSA-N 384.344 2.820 5 50 GFBA COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c([N+](=O)[O-])c1 14162051 IYBYQKCTGQSPGI-UHFFFAOYSA-N 387.377 2.779 5 50 GFBA Cn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1 1060178 VKXORSBRGTXMCB-UHFFFAOYSA-N 390.446 2.945 5 50 GFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1218031 UKIBYSMBCFFWBV-RMKNXTFCSA-N 384.344 2.820 5 50 GFBA biogenic COc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1OC 12371203 KXQUBKNSFYLVQK-UHFFFAOYSA-N 377.309 2.781 5 50 GFBA O=C(NCCCN1CCOCC1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 20472655 HCFCGILXICFWLF-UHFFFAOYSA-N 383.857 2.915 5 50 GFBA COc1ccc(OC)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 19551561 HDHPISQVAHJJFB-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA CCCCN(C(=O)OCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 25668712 AVKDZSJBDNDGIU-UHFFFAOYSA-N 389.386 2.670 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c1 14225581 NRTDFXAESHYOPU-UHFFFAOYSA-N 376.369 2.780 5 50 GFBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1208548 JRLJUBSNTYUYNC-HNNXBMFYSA-N 380.356 2.601 5 50 GFBA C[C@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C)C(=O)Nc1nccs1 2838867 YIKXBXSRRLVAJU-VIFPVBQESA-N 390.450 2.966 5 50 GFBA CCOC(=O)CS[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F 1875339652 SGTFPCDPALJJDN-LLVKDONJSA-N 395.359 2.944 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 5740758 VGGVZJWRXYIXQD-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA Cc1cc(C)c(S(=O)(=O)NNC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1 2857371 VPCJHCBXBPAZLZ-UHFFFAOYSA-N 394.478 2.700 5 50 GFBA O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686998 OFIWXWWFEMWKDC-CQSZACIVSA-N 384.797 2.743 5 50 GFBA Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 4854885 HWYGEDAFVINHOD-MRXNPFEDSA-N 388.445 2.733 5 50 GFBA Cc1cccc2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CC2 193333482 GGOSXIFNZMGNOB-CQSZACIVSA-N 383.379 2.985 5 50 GFBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2ccccc2c1 1208873 PXPUWNUJICHJMS-UHFFFAOYSA-N 375.340 2.983 5 50 GFBA C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=S)N2[C@@H]1NC(=S)N2c1ccccc1 1392144 OTEHUHFNVVBGEZ-WMLDXEAASA-N 385.474 2.636 5 50 GFBA CC(=O)Oc1ccc([C@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 4753603 IKWOCCNFHNGBJY-IBGZPJMESA-N 383.360 2.933 5 50 GFBA COc1ccc2c(c1)nc(CNC(=O)c1c[nH]c3ccc([N+](=O)[O-])cc13)n2C 187298254 GDELOSIOOLCVIV-UHFFFAOYSA-N 379.376 2.901 5 50 GFBA CC1(C)[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]21 408446595 NKVJYNOJROPGGU-NXEZZACHSA-N 375.244 2.634 5 50 GFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)C1 252452352 DLKBIUVMWNUKFF-MZMPZRCHSA-N 397.497 2.731 5 50 GFBA C=CC(=O)N(C)c1ccc(C(=O)N2CCOc3cc([N+](=O)[O-])ccc3C2)cc1 1875373557 FVOMQSSLMJXEBY-UHFFFAOYSA-N 381.388 2.778 5 50 GFBA CC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4531812 ZNKWACYHILXUCL-SECBINFHSA-N 385.660 2.714 5 50 GFBA O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 4703958 PIGLHOVVAZHSAF-UHFFFAOYSA-N 378.841 2.965 5 50 GFBA O=[N+]([O-])c1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccccc2)CC1 4187727 UFSMCMZZNQCOPF-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA O=C(Oc1ccc(C(=S)N2CCC(O)CC2)cc1)c1cccc([N+](=O)[O-])c1 1162185 RNPHIURBYHZAJA-UHFFFAOYSA-N 386.429 2.946 5 50 GFBA CC(=O)Oc1cc(O)c(C(=O)CCc2ccc([N+](=O)[O-])cc2)c(OC(C)=O)c1 3122417 ZSKFDHUDQDCAHB-UHFFFAOYSA-N 387.344 2.967 5 50 GFBA CCOc1ccc2[nH]/c(=N\S(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2c1 4877595 WTTMDRPCRLGHOM-UHFFFAOYSA-N 379.419 2.826 5 50 GFBA COC(=O)CSc1nnc(Cn2c3ccccc3c(=O)c3ccccc32)n1C 238881525 AMZXTHNUFSPBPX-UHFFFAOYSA-N 394.456 2.597 5 50 GFBA O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 952894189 XEJLFGDKVGJKJK-UHFFFAOYSA-N 396.382 2.934 5 50 GFBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N2CCOCC2)cc1 4964761 DQPGHDXZEFZQPN-RGEXLXHISA-N 395.415 2.533 5 50 GFBA CCn1cc([C@H](C)NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(C)n1 653250 JBNWYROHIUGMFL-ZDUSSCGKSA-N 382.424 2.855 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C)cc1 13452203 UHANQFJOMAMEMG-OAHLLOKOSA-N 375.450 2.803 5 50 GFBA CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H](C)[C@H]1CCCO1 248255193 UJMLTOXSMKCZSF-XZJROXQQSA-N 397.859 2.686 5 50 GFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 4806408 IOGZPHZPXLTBSS-UHFFFAOYSA-N 375.768 2.921 5 50 GFBA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 5945869 PXYQAIRTDXNCJY-UHFFFAOYSA-N 375.406 2.632 5 50 GFBA Cc1cc(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])nn1C1CCCCC1 290677476 LBASMILARYXAFA-UHFFFAOYSA-N 379.442 2.996 5 50 GFBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccccc1[N+](=O)[O-] 248083361 QTUOGDWWOJNWCL-NVXWUHKLSA-N 387.461 2.900 5 50 GFBA biogenic COc1ccc(-c2nc3ccccc3n3cc4c(=O)n(C)c(=O)n(C)c4c23)cc1 804797 UGTLTFJXHCGKQH-UHFFFAOYSA-N 386.411 2.714 5 50 GFBA CC[C@@H](C)NC(=O)CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 225650392 GSFWHWSFPRWQCI-LLVKDONJSA-N 389.283 2.938 5 50 GFBA O=C(Cc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)NCc1ccccc1 2845239 SQLWPYYCTBNUIX-UHFFFAOYSA-N 397.416 2.558 5 50 GFBA O=C(c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCOCC1 2858842 JUDXLCWLIOAQNW-UHFFFAOYSA-N 386.433 2.876 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H](CC)[C@H]2O)[C@H]3[C@H]5O 253487497 LCYPYTJALPJIBU-WIKDBYAVSA-N 383.556 2.869 5 50 GFBA biogenic Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)no1 4953423 POXRYWNBFIURLO-UHFFFAOYSA-N 392.327 2.944 5 50 GFBA CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 5064940 DTQBSOQGHXJVIF-QGZVFWFLSA-N 382.445 2.704 5 50 GFBA CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCC(F)(F)F)CC1 2325840003 LLEUBTPRWKJMKO-UHFFFAOYSA-N 398.389 2.948 5 50 GFBA O=[N+]([O-])c1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1 19792020 CYHMICNZCNNMLV-UHFFFAOYSA-N 379.420 2.949 5 50 GFBA COc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)c([N+](=O)[O-])c1 4189730 RYWUNRFHNYFEAB-INIZCTEOSA-N 384.392 2.982 5 50 GFBA O=C(O)C[C@H](NS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 4686997 OFIWXWWFEMWKDC-AWEZNQCLSA-N 384.797 2.743 5 50 GFBA O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(Cc2c(Cl)cccc2Cl)CC1 20045110 VXXXBLXBJDCYMF-UHFFFAOYSA-N 384.223 2.583 5 50 GFBA O=c1c(-c2cccs2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] 2845286 YSWBCSDWYXHODY-UHFFFAOYSA-N 395.396 2.900 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[C@H](c2nccn2C)C1 365647713 DZVHQFKJWNKVQY-KGLIPLIRSA-N 387.440 2.544 5 50 GFBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 1891985 BZFLNEZMNZEFLE-UHFFFAOYSA-N 379.375 2.729 5 50 GFBA Cc1c([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2)N2CCC(C)CC2)nn1C 1875252016 AVTQINGFGXPGDV-KRWDZBQOSA-N 385.468 2.840 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2755636 YDOVPHYUWUUGRE-OAHLLOKOSA-N 379.438 2.861 5 50 GFBA CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1OC 229712760 RUXHUIFMSBJKNY-ZIAGYGMSSA-N 379.457 2.852 5 50 GFBA Cc1ncc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)c(O)c1Br 119763334 HXOVZSYRGWTELR-UHFFFAOYSA-N 392.209 2.965 5 50 GFBA CCOC(=O)[C@H]1/C(=C/Cl)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 227144185 AXKBUKCGIZQYPM-IJVTXNRDSA-N 394.811 2.988 5 50 GFBA CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 5053400 KLJKXVIRUYQVIO-QMTHXVAHSA-N 375.406 2.807 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1 4044528 DNAXGDJOUVISHG-UHFFFAOYSA-N 398.444 2.654 5 50 GFBA O=C(COc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4685344 MMEFWTCMQKLLCA-UHFFFAOYSA-N 375.812 2.976 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 2860867 FDDLVMUIJCFAFZ-UHFFFAOYSA-N 397.840 2.816 5 50 GFBA CC[S@](=O)[C@@H]1CCCC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 253369280 AOUPXUSYNJJTFV-VDYXTEHCSA-N 381.498 2.901 5 50 GFBA COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1[N+](=O)[O-] 2238240 AYFYIIIEAKSAFL-UHFFFAOYSA-N 389.389 2.737 5 50 GFBA C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2c(c1)OCO2 1055543 TZISRIHNGPCDCX-JTQLQIEISA-N 382.328 2.921 5 50 GFBA O=C(COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 5073203 WNRWAZIRBKLMTK-UHFFFAOYSA-N 375.812 2.976 5 50 GFBA COc1ccc(N2CC3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 4727971 BICADBWHRDQTTK-SFHVURJKSA-N 394.387 2.600 5 50 GFBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 4821169 LWKALYWRTMSMEH-UHFFFAOYSA-N 390.812 2.955 5 50 GFBA COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1cccc([N+](=O)[O-])c1 20606347 PBVFKYFRFXPQHP-NVXWUHKLSA-N 390.417 2.971 5 50 GFBA CN(c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 156749397 LENFXYUXWSENLQ-HONMWMINSA-N 390.408 2.841 5 50 GFBA Cc1ccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 170615083 IJAPPMYJZHSBNJ-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA COc1ccc2[nH]c([C@H](C)NS(=O)(=O)c3ccc([N+](=O)[O-])c(C)c3)nc2c1 225548023 ICVJMFOWXISUSV-NSHDSACASA-N 390.421 2.828 5 50 GFBA C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)C1 252444437 BOSADZCWSQSUPB-RBSFLKMASA-N 397.497 2.852 5 50 GFBA Cc1cc(C)c(S(=O)(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 16667807 PRTGHWVSTDNPFZ-UHFFFAOYSA-N 380.382 2.734 5 50 GFBA O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc12 4708655 VNXOZSUORNYGPH-UHFFFAOYSA-N 391.452 2.595 5 50 GFBA COC(=O)c1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1 1075167 JCLPWRSNTJYBMA-UHFFFAOYSA-N 380.360 2.884 5 50 GFBA C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@H](c1ccccc1)N1CCCN12 19169153 HWDLCTYLUFEHHW-LVCYWYKZSA-N 392.415 2.521 5 50 GFBA Cc1cnc(N2CCN(c3ccnc(N(C)C)n3)CC2)c2ccc([N+](=O)[O-])cc12 1875336944 LACAFLDMMVCBOJ-UHFFFAOYSA-N 393.451 2.634 5 50 GFBA COc1ccc(O[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4749657 IHNUDHLIMSLRBG-HNNXBMFYSA-N 385.420 2.720 5 50 GFBA O=[N+]([O-])c1ccc([C@@H](O)CN=c2[nH]ccn3nc(-c4ccccc4)cc23)cc1 1875323883 CCEDMGVHKRWZOQ-IBGZPJMESA-N 375.388 2.872 5 50 GFBA Cn1c(CNC(=O)c2ccccc2)nnc1SCc1ccc([N+](=O)[O-])cc1 2861860 MVXGUEOMFXKFNN-UHFFFAOYSA-N 383.433 2.946 5 50 GFBA O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 239328979 JYWITWNOMPNEIU-AJABAVSMSA-N 389.205 2.915 5 50 GFBA CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc(C(C)=O)c1C 12413641 OZSLUUQIBADTBR-VIFPVBQESA-N 394.409 2.740 5 50 GFBA CCCCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 6244070 JQYJKFGLPDRIGB-UHFFFAOYSA-N 377.422 2.926 5 50 GFBA Cc1c([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N2CCC(C)CC2)nn1C 1875252017 AVTQINGFGXPGDV-QGZVFWFLSA-N 385.468 2.840 5 50 GFBA CC[C@@H](C)n1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21 100628113 AEMJXYGRVGVPFK-CYBMUJFWSA-N 391.431 2.623 5 50 GFBA COC(=O)C1=C(C)NC(C)=C(C(=O)O)[C@@H]1c1cc([N+](=O)[O-])ccc1OC(F)F 1444571 MQVHWESMBXYOKX-AWEZNQCLSA-N 398.318 2.689 5 50 GFBA C[C@@H]1CCc2cc(F)ccc2N1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1111849 YWQMNRUWWANENM-LLVKDONJSA-N 397.362 2.698 5 50 GFBA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 55543420 IAXSXQABTXUAGF-AWEZNQCLSA-N 379.457 2.692 5 50 GFBA Cc1cccc(C)c1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1776002321 VNBMZFQPXCBLNR-UHFFFAOYSA-N 375.450 2.723 5 50 GFBA COC(=O)c1cc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 1741709 JYLZEFUCWGLAOC-UHFFFAOYSA-N 391.311 2.951 5 50 GFBA CC[C@H]1SC2=NC(C)=C(C(=O)OC)[C@@H](c3ccccc3[N+](=O)[O-])N2C1=O 2695541 GCXQDNKTAOBCIV-TZMCWYRMSA-N 375.406 2.807 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C)cc1 4188677 UHANQFJOMAMEMG-HNNXBMFYSA-N 375.450 2.803 5 50 GFBA NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 5091084 FPQGCVOHIFLPDO-UHFFFAOYSA-N 389.355 2.916 5 50 GFBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CCC[C@](O)(C(F)(F)F)CC1 288080166 ZEZXMJJJTPLYQE-MRXNPFEDSA-N 399.325 2.768 5 50 GFBA Cc1cccc(S(=O)(=O)N2CCN(c3cc(C)c(F)cc3[N+](=O)[O-])CC2)c1 63121411 URVQPDFFSDQQSD-UHFFFAOYSA-N 393.440 2.862 5 50 GFBA COc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1[N+](=O)[O-] 1053693 DHCBPLXLOXJZPE-UHFFFAOYSA-N 383.404 2.768 5 50 GFBA O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1cncc(Br)c1 4758584 FYCKFNSMDWLAEQ-UHFFFAOYSA-N 381.211 2.879 5 50 GFBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(C(F)(F)F)c1 714711 BBJDVNHSRIQJNV-UHFFFAOYSA-N 393.277 2.848 5 50 GFBA NC(=O)c1cccc(CNC(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])c1 253419473 VNYLQQNBPSXISQ-UHFFFAOYSA-N 376.372 2.686 5 50 GFBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 1135516 OQMLDUCAMSYEKU-UHFFFAOYSA-N 384.421 2.999 5 50 GFBA COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(OC)c(O)c1 170598345 WIKWAIFDGMPFIR-HNNXBMFYSA-N 394.767 2.607 5 50 GFBA O=C(Nc1ccc2c(c1)OCCO2)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775250 WENGPRASKCSXQI-UHFFFAOYSA-N 380.360 2.863 5 50 GFBA Cc1cc(O)c(C2=NCCS[C@@H](c3ccc(O)c([N+](=O)[O-])c3)C2)c(=O)o1 18054307 LUEATPBAHKASEA-OAHLLOKOSA-N 376.390 2.935 5 50 GFBA CC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2959147 ZCBOKNDHEUTLKD-CQSZACIVSA-N 391.449 2.705 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccncc2)n1C 897191 YZGIPPQHOKIKLH-UHFFFAOYSA-N 384.421 2.825 5 50 GFBA O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2735739 MBSKBOPPUOAWLI-UHFFFAOYSA-N 392.375 2.930 5 50 GFBA Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 4708087 SVIIKHDANCCTIM-CYBMUJFWSA-N 389.371 2.569 5 50 GFBA Cc1nc(N2CC[C@@](c3nc(C4CC4)no3)(C(F)(F)F)C2)ncc1[N+](=O)[O-] 952894726 PRXFUFIIGKMULZ-CQSZACIVSA-N 384.318 2.664 5 50 GFBA O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1F 2744125 ZSSJMBHOAOTVJU-GFCCVEGCSA-N 384.360 2.571 5 50 GFBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 20109646 FIDGVROMRQUMQG-KRWDZBQOSA-N 391.855 2.810 5 50 GFBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccn1 1132254 PUXTWGXQYOOUKW-XLLHFJCQSA-N 397.390 2.867 5 50 GFBA C[C@H](C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc([N+](=O)[O-])cc1 19920504 BIFWVGRHMXQOFP-HNNXBMFYSA-N 397.431 2.771 5 50 GFBA CCC(=O)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4841182 URRPRGJERPQQLU-UHFFFAOYSA-N 383.404 2.873 5 50 GFBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20352270 ZGYRFDKWUFVMBI-UHFFFAOYSA-N 384.392 2.673 5 50 GFBA O=C(Cn1cc(Br)c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2CCCC[C@H]21 132789179 JVOLZEDGQWZJFU-WCQYABFASA-N 398.257 2.700 5 50 GFBA CCOC(=O)c1c(NC(=O)c2c([N+](=O)[O-])cnn2C)sc2c1CCCC2 754170 TXJFEOSDFFKDSI-UHFFFAOYSA-N 378.410 2.698 5 50 GFBA CCOC(=O)N1CCN(c2cc(NC[C@H]3CCCO3)c(F)cc2[N+](=O)[O-])CC1 4622503 KQLOLXZEZBKSHQ-CYBMUJFWSA-N 396.419 2.603 5 50 GFBA CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 1063083 QSMALNVOJYSRKG-UHFFFAOYSA-N 391.449 2.861 5 50 GFBA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1[N+](=O)[O-] 1135496 FBJQVONEMXRLFO-UHFFFAOYSA-N 389.433 2.940 5 50 GFBA O=c1[nH]c(/C=C/c2cccc(OCCOc3ccccc3)c2)c([N+](=O)[O-])c(=O)[nH]1 9235263 SORDRPRZLHGNLL-MDZDMXLPSA-N 395.371 2.600 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncn(Cc2ccccc2Cl)n1 17080472 ANXHNAQYMWXGDY-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1772492995 LCYPYTJALPJIBU-KOAMRFLJSA-N 383.556 2.869 5 50 GFBA Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 4140211 MLPTXRWNBMJPJH-UHFFFAOYSA-N 377.422 2.541 5 50 GFBA COc1ccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c([N+](=O)[O-])c1 4368311 ANOUSPGLSBZMGA-UHFFFAOYSA-N 388.405 2.630 5 50 GFBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4741011 MMGBWDDOYHZOCO-UHFFFAOYSA-N 399.831 2.898 5 50 GFBA CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 1117426 RFOZOZQFEJKCOL-UHFFFAOYSA-N 391.449 2.870 5 50 GFBA O=C(CCCc1c[nH]c2ccccc12)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 130212235 AIEQXCPCIXZLOL-CTNGQTDRSA-N 397.431 2.610 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 5661128 CDOKCMVLXBXHEL-UHFFFAOYSA-N 383.360 2.618 5 50 GFBA COc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 4686458 YBOBINZGPWVRNI-UHFFFAOYSA-N 383.360 2.618 5 50 GFBA COC(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 12655468 JGXXCOURAZHGCH-VOTSOKGWSA-N 384.344 2.820 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1nc2ccccc2[nH]1 20023834 QACLWOIBBYOHQP-UHFFFAOYSA-N 399.476 2.737 5 50 GFBA O=C(CC[C@H]1CCCOC1)OCC1CCN(c2ncccc2[N+](=O)[O-])CC1 170652317 ATPBRHXIWGBVLX-OAHLLOKOSA-N 377.441 2.956 5 50 GFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1 671714 UIYBTCBNMCCNPG-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4703591 YMZBNNIHULFXRQ-UHFFFAOYSA-N 390.465 2.538 5 50 GFBA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 952891441 DTICUAQPGMVYRN-UHFFFAOYSA-N 398.398 2.867 5 50 GFBA NS(=O)(=O)C[C@@H]1CCCN1c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 775483251 DQUAPVSVUDQNSP-ZETCQYMHSA-N 387.767 2.524 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCCc2ccccc21 1198522 IINBTNNKFAPBRB-UHFFFAOYSA-N 379.214 2.842 5 50 GFBA Cn1c(CN2CCN(C(=O)C3CCCCC3)CC2)nc2cc([N+](=O)[O-])ccc21 13238208 WWSRUZWPNPSNNG-UHFFFAOYSA-N 385.468 2.706 5 50 GFBA Cc1cc([N+](=O)[O-])c(NCCOC(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 104163159 HPHCQMQIWSKJBU-UHFFFAOYSA-N 390.308 2.989 5 50 GFBA Cc1ccc(Cn2ccc(NC(=O)Cn3nc([N+](=O)[O-])c(Cl)c3C)n2)cc1 647174 UNLNFTDKGQECNR-UHFFFAOYSA-N 388.815 2.945 5 50 GFBA CO[C@@]1(C)C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1(C)C 170646218 IUJNQMFUPPEYIB-PXNSSMCTSA-N 391.468 2.707 5 50 GFBA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36128362 MHXSVBBJERLNGI-SFHVURJKSA-N 397.387 2.714 5 50 GFBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCN(c2ccccc2)CC1 52530443 LNRQVBSXDUFRDM-SFHVURJKSA-N 382.420 2.507 5 50 GFBA O=C(COc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4872694 ASZFGTQJBCNTIB-UHFFFAOYSA-N 377.347 2.601 5 50 GFBA COC[C@H]1CCCN(c2nc(N3CCC[C@@H](COC)C3)ccc2[N+](=O)[O-])C1 170610852 PQOLFEDGBNQOJT-CVEARBPZSA-N 378.473 2.715 5 50 GFBA CC1(C)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])[C@H]1c1nccn1-c1cccc(F)c1 952892248 MIEQYXQDGFBGNL-AWEZNQCLSA-N 384.371 2.866 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1772492996 LCYPYTJALPJIBU-NKHQAEAZSA-N 383.556 2.869 5 50 GFBA CCSCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 2092058 QQZRAIBGAPSQBE-OAHLLOKOSA-N 379.438 2.861 5 50 GFBA COC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 4054073 ICUZQDCBDYFMCN-UHFFFAOYSA-N 386.364 2.616 5 50 GFBA CCN1CCN(c2ccc(C(=O)Nc3ccc(OC)cc3)cc2[N+](=O)[O-])CC1 4311173 ISJADQCLKUEMAC-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA CCC(=O)N1CCN(c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 4978712 MNIXTZFBJKTCAW-UHFFFAOYSA-N 382.420 2.906 5 50 GFBA O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5090792 YOJVQLSDBWHDAK-UHFFFAOYSA-N 379.372 2.664 5 50 GFBA COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 19561059 SRDIPPDXIFGILW-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA Cc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cccc1[N+](=O)[O-] 19866693 KRLRLLAUMXTMBA-UHFFFAOYSA-N 383.404 2.590 5 50 GFBA CC(C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100630674 RKKHPQMUGYMTNK-UHFFFAOYSA-N 379.464 2.772 5 50 GFBA CN1CCc2nc(/C=C/c3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)nc(O)c2C1 328597683 IQLNSHFHIFVLML-VMPITWQZSA-N 392.419 2.649 5 50 GFBA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 4686716 ZUNOJGNCGZACEM-QGZVFWFLSA-N 392.433 2.876 5 50 GFBA CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 35832837 CAXBMMDDYJGQBV-GOSISDBHSA-N 397.387 2.980 5 50 GFBA O=c1n(CCCNc2ccc([N+](=O)[O-])cc2Br)nc2n1CCCC2 170642766 ZIFXMNLHEZBSST-UHFFFAOYSA-N 396.245 2.554 5 50 GFBA CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1145062 FLWLHWBRQFWTBA-UHFFFAOYSA-N 377.422 2.924 5 50 GFBA Cc1cc(N2CCN(S(=O)(=O)c3ccccc3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] 4622598 FAJFNVJJPZQXPU-CQSZACIVSA-N 393.440 2.942 5 50 GFBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2cccc(O)c2)CC1 6397761 JMUHIDFZUASMKS-UHFFFAOYSA-N 388.449 2.828 5 50 GFBA COc1ccc(CCNc2cc([N+](=O)[O-])cc3nc(C)n(C)c(=O)c23)cc1OC 12463262 VQTUINQOGHDMBD-UHFFFAOYSA-N 398.419 2.822 5 50 GFBA O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)s1 4985698 SUMNRVDMBZPKJJ-CQSZACIVSA-N 397.206 2.832 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC12CC3CC(CC(C3)C1)C2 5724368 GJAIUJYNIRVHEA-UHFFFAOYSA-N 397.273 2.947 5 50 GFBA Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4754908 GTBALORBKZQQKY-UHFFFAOYSA-N 384.461 2.740 5 50 GFBA O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1Cc1ccccn1 36125589 OYLSSVAVFNUWTR-UHFFFAOYSA-N 381.395 2.539 5 50 GFBA CCOc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1Br 5065132 SYFLPGCYSWAZON-HWKANZROSA-N 382.170 2.715 5 50 GFBA O=C1c2cccc3cc(O)cc(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2898530 PIFIYLBJJZQTLD-UHFFFAOYSA-N 395.283 2.952 5 50 GFBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 2997701 DYLZRTCJCYCKET-UHFFFAOYSA-N 389.389 2.819 5 50 GFBA CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4953266 MVTFTEYJGKZOHE-UHFFFAOYSA-N 383.813 2.751 5 50 GFBA CC(=O)Nc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])cc1 8661079 VKTZQGNPIUCLOL-UHFFFAOYSA-N 398.379 2.670 5 50 GFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1 52537721 ACQRXIMHUIZNKG-UHFFFAOYSA-N 388.399 2.503 5 50 GFBA Cc1ccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)cc1[N+](=O)[O-] 239358401 NELMJURKBWYMHB-LEWSCRJBSA-N 391.811 2.748 5 50 GFBA O=C(COc1c([N+](=O)[O-])cnc2ccc(Br)cc12)NCC1CC1 170593503 ZFLRDUZRUZWHPN-UHFFFAOYSA-N 380.198 2.811 5 50 GFBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccco4)CC3)ccc2[N+](=O)[O-])n1 4143595 WSTZYTNBTPUJCQ-UHFFFAOYSA-N 395.419 2.953 5 50 GFBA O=C(O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 4134537 LWSOOILSFLGAJX-CYBMUJFWSA-N 384.797 2.743 5 50 GFBA CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N 100318725 HJTNYUYTMGJAIY-UHFFFAOYSA-N 388.427 2.548 5 50 GFBA biogenic CC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 5050397 SOILFRHKZKUHRG-UHFFFAOYSA-N 398.438 2.965 5 50 GFBA CC(C)n1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 100630620 QQVTYOKFUOKOEU-UHFFFAOYSA-N 387.443 2.640 5 50 GFBA C[C@@H](NC(=O)c1cc2nc(-c3nn(C)cc3[N+](=O)[O-])ccn2n1)c1ccccc1 8782655 ZOKOYRLUDRSAEC-GFCCVEGCSA-N 391.391 2.529 5 50 GFBA COC(=O)c1sccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12545686 MPYPIRQMVYSROM-UHFFFAOYSA-N 390.421 2.797 5 50 GFBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 152757661 GTRKIFFGYABDRI-FCIDVOKBSA-N 395.337 2.833 5 50 GFBA O=C(NCc1cccnc1)Nc1ccc([N+](=O)[O-])c(I)c1 225851150 LQRSVOKVPKOFAH-UHFFFAOYSA-N 398.160 2.916 5 50 GFBA O=C(NN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)c1ccc(F)cc1 5003428 NSYSXUZCLBKKEN-UHFFFAOYSA-N 379.303 2.828 5 50 GFBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1135311 PUMQPCMJVVUKDY-UHFFFAOYSA-N 389.433 2.561 5 50 GFBA COc1ccc(OC)c(CN2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)c1 170624573 XJRUAGKLEAARIQ-UHFFFAOYSA-N 387.436 2.943 5 50 GFBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@@H]1[N+](=O)[O-] 13154609 ONVZBPNGXVPCMU-XLAORIBOSA-N 387.392 2.800 5 50 GFBA Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C(C)C)c3nc12 100630615 NRMZLSBAVOBHAK-UHFFFAOYSA-N 391.431 2.541 5 50 GFBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Cl)cc1 1117004 ZPLRIVVPHLYGHO-UHFFFAOYSA-N 397.840 2.649 5 50 GFBA CCOc1ccc(-n2nnnc2SCC(=O)c2cccc([N+](=O)[O-])c2)cc1 2305299 QZLVBYPUHXAUSI-UHFFFAOYSA-N 385.405 2.944 5 50 GFBA O=C(Cn1cnc2ccc(Br)cc2c1=O)c1ccccc1[N+](=O)[O-] 3124317 BFIDLVDZJAMGNC-UHFFFAOYSA-N 388.177 2.950 5 50 GFBA C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)NC[C@H]1COc2ccccc2O1 252010183 ROMALMYWVULERQ-PBHICJAKSA-N 385.420 2.544 5 50 GFBA Cc1nn(Cc2ccccc2C(=O)Nc2ccccc2C(N)=O)c(C)c1[N+](=O)[O-] 2796300 LHEKJNWQNPZQLI-UHFFFAOYSA-N 393.403 2.808 5 50 GFBA O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 4134539 RRKJMUPYYYTTHR-CYBMUJFWSA-N 384.797 2.743 5 50 GFBA COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc([N+](=O)[O-])c1O 3880039 CMLSOANBAOXYQA-UHFFFAOYSA-N 388.380 2.539 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc(Br)cn2)c(Cl)c1 328594197 YLOOECVWKLUYSL-UHFFFAOYSA-N 393.606 2.602 5 50 GFBA Cn1ncc2c1ncn1nc(-c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)nc21 2800404 HQQYLDMKBXUVJT-UHFFFAOYSA-N 391.347 2.758 5 50 GFBA C[C@H](O)C[C@@H]1CCCN1C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 252496909 PUVMCLBUWGPKEY-JQWIXIFHSA-N 394.815 2.515 5 50 GFBA Cc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 253428177 PJKCAJDACOKJLF-UHFFFAOYSA-N 393.396 2.835 5 50 GFBA CC[C@H]1CCc2c(sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C(=O)OC)C1 908846 SKZGKANLECYVPP-JTQLQIEISA-N 392.437 2.793 5 50 GFBA Cc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 1147630 DBGIUABUIACYSO-UHFFFAOYSA-N 397.840 2.961 5 50 GFBA CCOc1c([N+](=O)[O-])cc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1OCC 771844 KFZYUPYVMRZVKA-UHFFFAOYSA-N 391.424 2.834 5 50 GFBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 4865527 LYYVJTOHJCWURA-UHFFFAOYSA-N 389.433 2.634 5 50 GFBA COc1ccc(CNC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2F)cc1 4772576 CWPJOMWQFDGVLA-UHFFFAOYSA-N 384.367 2.917 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C)c1C)S(C)(=O)=O 5013367 UGNLKMGADOOLLV-UHFFFAOYSA-N 391.449 2.925 5 50 GFBA CCOc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1Br 9234847 IQJCHRAOVFKNLZ-GQCTYLIASA-N 382.170 2.715 5 50 GFBA Cc1[nH]c2ccc(C(=O)N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1C 130277701 UNFKMSSKOYZGEH-RBUKOAKNSA-N 383.404 2.517 5 50 GFBA CC(C)c1nnc2n1CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)[C@H]2C 170603528 KOFRIMHDNIXFTL-ZDUSSCGKSA-N 395.423 2.712 5 50 GFBA COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 222310625 DGKMRTDYFOAZPY-CFVMTHIKSA-N 393.440 2.642 5 50 GFBA Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1c([N+](=O)[O-])c(C)nn1C 653587 KQLITUAYOMONFT-UHFFFAOYSA-N 386.387 2.890 5 50 GFBA CC1(C)[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 408446596 NKVJYNOJROPGGU-UWVGGRQHSA-N 375.244 2.634 5 50 GFBA Cc1cc(Cl)c(S(=O)(=O)Nc2nncn2-c2ccccc2)cc1[N+](=O)[O-] 225532285 GNTMRNWHRZRVRW-UHFFFAOYSA-N 393.812 2.938 5 50 GFBA COc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-] 5151889 NRHGNSXLFBMFNE-UHFFFAOYSA-N 381.348 2.831 5 50 GFBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccccc2)CC1 4543537 KYEZSBYXRVFNPH-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA COc1nn(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1[N+](=O)[O-] 2789593 XWMSLSAHIVYLTO-VIFPVBQESA-N 399.436 2.625 5 50 GFBA Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(N)c([N+](=O)[O-])c1 225461990 BVGNGNPXHPBRPS-OCCSQVGLSA-N 392.456 2.861 5 50 GFBA CCOC(=O)C(CC)(CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OCC 4724357 KBUZPRQUYKTYMK-UHFFFAOYSA-N 380.397 2.836 5 50 GFBA O=C(COC(=O)[C@@H]1CCCN1C(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1 1196197 OIRQCLZKORYFTB-KRWDZBQOSA-N 398.371 2.984 5 50 GFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2 1427899 XVZNZOSYGZCQCY-LBPRGKRZSA-N 394.339 2.616 5 50 GFBA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2064402 NCGPAPOGNXUXQC-UHFFFAOYSA-N 389.389 2.517 5 50 GFBA C[C@H](CN1CCN(C)CC1)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 112559573 JLCQVWXVBYMVOP-SNVBAGLBSA-N 391.350 2.570 5 50 GFBA COc1ccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1 4131974 SCKPLTCLZBGLNT-UHFFFAOYSA-N 386.452 2.846 5 50 GFBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 862515 KVDZDVSPKABROQ-QGZVFWFLSA-N 382.376 2.870 5 50 GFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccnc12 4543483 QUHAXWQJNJXOCH-UHFFFAOYSA-N 398.444 2.654 5 50 GFBA COc1ccc(N2CC3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N3C)cc1 4727975 BICADBWHRDQTTK-GOSISDBHSA-N 394.387 2.600 5 50 GFBA O=C(C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 1045417 XWXHRRJHPBWPLP-INIZCTEOSA-N 391.177 2.770 5 50 GFBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccco1 4561786 YXJJSHOMDYVRSV-UHFFFAOYSA-N 394.840 2.678 5 50 GFBA O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)nc3nc4ccccc4n3c2N1 4624389 LZBSHLXLPNCTMF-GFCCVEGCSA-N 375.344 2.970 5 50 GFBA O=C(CCCc1c[nH]c2ccccc12)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 130211876 AIEQXCPCIXZLOL-TZIWHRDSSA-N 397.431 2.610 5 50 GFBA O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccco1 4834757 RZFABKMBMDAVGA-UHFFFAOYSA-N 394.840 2.678 5 50 GFBA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1[N+](=O)[O-] 3000196 BTQHNZLXGLHYCJ-UHFFFAOYSA-N 375.406 2.895 5 50 GFBA CC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878116 DYMLKNCJEMMPPO-VIFPVBQESA-N 385.660 2.714 5 50 GFBA COC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1215478 KKRACVNTLBYMJI-NYYWCZLTSA-N 385.401 2.908 5 50 GFBA CC(C)C(=O)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 9971601 BNRPUAQMFHYOKP-UHFFFAOYSA-N 381.439 2.772 5 50 GFBA CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2952419 QPHSONITEQZHAE-GOSISDBHSA-N 384.388 2.775 5 50 GFBA O=c1[nH]cnc2cc(N3CCN(Cc4ccccc4Cl)CC3)c([N+](=O)[O-])cc12 152968753 AWRBMVMHPSGCJJ-UHFFFAOYSA-N 399.838 2.807 5 50 GFBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1 1139759 XVUCESRFGYKHHF-FLIBITNWSA-N 395.165 2.894 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)cc1F)S(C)(=O)=O 5013352 IZDQQARUKRACAW-UHFFFAOYSA-N 399.375 2.586 5 50 GFBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc(O)cc2)N[C@@H](c2ccc(O)cc2)[C@H]1[N+](=O)[O-] 239378309 ONVZBPNGXVPCMU-WNRNVDISSA-N 387.392 2.800 5 50 GFBA Cc1ccc(C)c(-n2ccc3nc4ccn(-c5nc(C)n[nH]5)c(=O)c4cc3c2=O)c1 40398743 XXEGOLNURXNUIC-UHFFFAOYSA-N 398.426 2.733 5 50 GFBA COc1ccc(CNC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1126729 PGELLJGJMFIZFB-UHFFFAOYSA-N 397.431 2.772 5 50 GFBA CC(C)N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 238881513 AKXLHONTKXYEAI-FGTMMUONSA-N 381.388 2.850 5 50 GFBA CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4524498 OUEQEBKNSRPTHX-UHFFFAOYSA-N 383.451 2.939 5 50 GFBA O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1nc2ccccc2n1C1CCCC1 133850838 FSNKIFBFYTZRMV-UHFFFAOYSA-N 381.392 2.860 5 50 GFBA COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-] 1128403 KQIXEYKUGHSCQW-UHFFFAOYSA-N 382.376 2.654 5 50 GFBA Cc1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 1146616 HKSPPWXDGAKUAJ-UHFFFAOYSA-N 377.422 2.616 5 50 GFBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)c1 4703660 CILYSOYGEDHVNM-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA COC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(N3CCC[C@@H](COC)C3)n2)C1 221941632 PQOLFEDGBNQOJT-HZPDHXFCSA-N 378.473 2.715 5 50 GFBA O=C(CNCCNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1[N+](=O)[O-] 5946042 KVANTOGLWYOCFT-UHFFFAOYSA-N 393.787 2.797 5 50 GFBA C[C@]12C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H](c1ccccc1)N1CCCN12 19172382 HWDLCTYLUFEHHW-DBXWQHBBSA-N 392.415 2.521 5 50 GFBA N=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1nonc1-n1cccc1 12360567 HWUZSQXRQWQSFG-VNAOIOOSSA-N 382.361 2.824 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3Cl)n2)cc1 2780951 ADFZZOKASYCESU-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 1749987 HOFZVMWPIXVMIC-UHFFFAOYSA-N 375.406 2.652 5 50 GFBA COc1cc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 4081939 OMUWNNHXELQDAF-UHFFFAOYSA-N 389.408 2.853 5 50 GFBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(OCC)c([N+](=O)[O-])c1 4825214 SXUNZFXBBOZKQD-HNNXBMFYSA-N 393.396 2.583 5 50 GFBA COc1ccc(-n2nc([N+](=O)[O-])c(Nc3cc(Cl)ccc3OC)[n+]2[O-])cc1 4826923 PHMNFHXPNIWJDX-UHFFFAOYSA-N 391.771 2.828 5 50 GFBA O=[N+]([O-])c1ccc([C@H](O)CN=c2[nH]ccn3nc(-c4ccccc4)cc23)cc1 1875323885 CCEDMGVHKRWZOQ-LJQANCHMSA-N 375.388 2.872 5 50 GFBA CCn1cc([C@@H](C)NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)c(C)n1 653248 JBNWYROHIUGMFL-CYBMUJFWSA-N 382.424 2.855 5 50 GFBA CCOc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 1429833 ZUWQWVZPVQKXRZ-UHFFFAOYSA-N 383.202 2.900 5 50 GFBA CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1 956287 KHDXAMQFHOMKNU-INIZCTEOSA-N 377.364 2.509 5 50 GFBA COCCCC(=O)N1CCOC2(CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)C1 1775991695 MEEXBNFDDZSPAJ-UHFFFAOYSA-N 391.468 2.528 5 50 GFBA O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4570467 MCSKSZQBDJFCTA-UHFFFAOYSA-N 381.841 2.759 5 50 GFBA Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C)CC2)cc1[N+](=O)[O-] 225658170 SFOWXPQJOGRSFT-UHFFFAOYSA-N 391.449 2.839 5 50 GFBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 4811227 GZKJCKWTPBNABW-KRWDZBQOSA-N 392.375 2.614 5 50 GFBA CC[C@@H]1CCc2c(sc(NC(=O)Cn3ccc([N+](=O)[O-])n3)c2C(=O)OC)C1 908848 SKZGKANLECYVPP-SNVBAGLBSA-N 392.437 2.793 5 50 GFBA Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1 1114504 ALOGUGOMVJMBOQ-UHFFFAOYSA-N 388.405 2.774 5 50 GFBA O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCN(c2ccccc2)CC1 52530442 LNRQVBSXDUFRDM-GOSISDBHSA-N 382.420 2.507 5 50 GFBA CCNS(=O)(=O)c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 5041634 ZPANNEWOFXCBIK-UHFFFAOYSA-N 380.451 2.702 5 50 GFBA CC(=O)Nc1cc2c(cc1[N+](=O)[O-])-c1cc([N+](=O)[O-])c(NC(C)=O)cc1C2=O 4887123 LBPAVLHBURNBDD-UHFFFAOYSA-N 384.304 2.631 5 50 GFBA CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(F)cc1)C2=O 4753679 OKGWFSSANKZRRX-KRWDZBQOSA-N 382.351 2.731 5 50 GFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(F)ccc1F 1429871 ZYIIGRVTKVIREJ-UHFFFAOYSA-N 375.129 2.779 5 50 GFBA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1 1782137 SZUYXYUNNOAPMM-SFHVURJKSA-N 381.388 2.980 5 50 GFBA biogenic Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C(C)C)c3nc12 100630688 MRBUDMXQEHXWPF-UHFFFAOYSA-N 379.464 2.690 5 50 GFBA COc1cccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC 19841835 QERLJKVVQKCVNT-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(-c2nnco2)c(F)c1 1875339243 YJDDSMXFWSAKNG-UHFFFAOYSA-N 378.341 2.726 5 50 GFBA CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H](C)[C@H]1CCCO1 248255190 UJMLTOXSMKCZSF-LYRGGWFBSA-N 397.859 2.686 5 50 GFBA O=C1[C@@H]2[C@@H](C(=O)N1CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)[C@H]1C=C[C@H]2C1 152757784 GTRKIFFGYABDRI-CHPZLBCBSA-N 395.337 2.833 5 50 GFBA CCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4711051 LWMIYYQXBSVSBA-UHFFFAOYSA-N 390.387 2.547 5 50 GFBA CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccc(F)cc1)C2=O 4753680 OKGWFSSANKZRRX-QGZVFWFLSA-N 382.351 2.731 5 50 GFBA CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 5090851 ORSWAYMZNPUPDX-UHFFFAOYSA-N 384.436 2.998 5 50 GFBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(Cc3cccc(Cl)c3)n2)c1 6373290 TYPPYJXNCNTEJI-UHFFFAOYSA-N 393.812 2.689 5 50 GFBA O=C(c1cccnc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 825316 SVBWIDDKKFSXDJ-OAHLLOKOSA-N 380.282 2.599 5 50 GFBA O=C1NCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H]1c1ccccc1F 170594195 ARQCPVKSQVYVHM-HNNXBMFYSA-N 377.759 2.701 5 50 GFBA CCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1772492992 LCYPYTJALPJIBU-GNSUFHRXSA-N 383.556 2.869 5 50 GFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(O)c(C(=O)O)c1 2832376 WMBQSENWLFIMCQ-UHFFFAOYSA-N 388.361 2.606 5 50 GFBA COc1ccc(CNC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1OC 1432158 DLKJFCQEVVIHCX-UHFFFAOYSA-N 376.413 2.522 5 50 GFBA C[C@H](Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[C@H]1CCCO1 241446934 NPSRBIIIGJCNPA-QWQRMKEZSA-N 397.497 2.995 5 50 GFBA O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc([N+](=O)[O-])cc1 5027800 YKIDEZUEQMQDOE-UHFFFAOYSA-N 384.417 2.884 5 50 GFBA O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCCO 2866536 MKAMZWBXEZXJQO-KRWDZBQOSA-N 380.356 2.629 5 50 GFBA CC[S@](=O)[C@H]1CCCC[C@H]1NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C 253369281 AOUPXUSYNJJTFV-XJCBTKLQSA-N 381.498 2.901 5 50 GFBA CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1cccc([N+](=O)[O-])c1 5053393 KLJKXVIRUYQVIO-IINYFYTJSA-N 375.406 2.807 5 50 GFBA CCC[C@@]1(C)C(=O)NCCN1C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 189806584 YJVNKNMAZNSJHV-SFHVURJKSA-N 388.449 2.849 5 50 GFBA Cc1ncc([N+](=O)[O-])n1CCOC(=O)NC(=O)c1cccc(C(F)(F)F)c1 1425522 HSMMCDLKHGLRRL-UHFFFAOYSA-N 386.286 2.685 5 50 GFBA COc1cccc([C@@H]2C[C@@H](c3cccc([N+](=O)[O-])c3)Nc3nnnn32)c1OC 2914017 CHENRVIFIVKKIK-GJZGRUSLSA-N 382.380 2.745 5 50 GFBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 2794532 CSQKUONLYBDICX-UHFFFAOYSA-N 394.387 2.807 5 50 GFBA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4702325 UAYFIJSISCJIOZ-UHFFFAOYSA-N 384.461 2.740 5 50 GFBA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8653011 FEUDCKTXWIBMCA-AWEZNQCLSA-N 388.361 2.945 5 50 GFBA Cc1nc(N2Cc3cnn(-c4ccccn4)c3CC(C)(C)C2)ncc1[N+](=O)[O-] 952894389 OLSNSNONKUCENR-UHFFFAOYSA-N 379.424 2.863 5 50 GFBA COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 52537610 XJZQDGMVZFJEDD-UHFFFAOYSA-N 384.436 2.673 5 50 GFBA COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@H](C)C2 649913 CAVWZRBKLFQUND-VIFPVBQESA-N 392.437 2.711 5 50 GFBA O=C(CCC(=O)N1CCN(Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 20513312 FGHHRJXGWSNTFY-UHFFFAOYSA-N 396.447 2.658 5 50 GFBA Cc1cc(O)c(C2=NCCS[C@@H](c3cc([N+](=O)[O-])ccc3O)C2)c(=O)o1 18176406 IZJSLDTVBGQTCL-OAHLLOKOSA-N 376.390 2.935 5 50 GFBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc(Br)c1 71767356 XLQUTUXJTFGCHW-SSZFMOIBSA-N 385.243 2.899 5 50 GFBA O=C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 2846335 MOUNZWSFLIIZTH-UHFFFAOYSA-N 378.388 2.920 5 50 GFBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 19606691 FJKNPJWTEZBBKX-QPJJXVBHSA-N 387.461 2.615 5 50 GFBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(N[C@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)C1 252452354 DLKBIUVMWNUKFF-SKDZVZGDSA-N 397.497 2.731 5 50 GFBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 274295661 SCPCTJOBLLSMMX-KRWDZBQOSA-N 396.447 2.541 5 50 GFBA COc1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)cc1[N+](=O)[O-] 824742405 OJBYNOIQCLXABV-INIZCTEOSA-N 378.425 2.853 5 50 GFBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)CCN1C(=O)c2ccccc2C1=O 943474 FCAJVOXDOJCFDY-DHZHZOJOSA-N 396.355 2.534 5 50 GFBA COc1cccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 4560931 FGVSCDYMZJJBRE-UHFFFAOYSA-N 386.452 2.846 5 50 GFBA COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCC2 856516 ZJSWKKNLPJLVFH-UHFFFAOYSA-N 376.390 2.949 5 50 GFBA CCc1nc2n(n1)CCC[C@H]2NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 253432249 XKRILEAOLZWQNJ-GFCCVEGCSA-N 381.795 2.735 5 50 GFBA COc1ccc(N[C@H](NC(=O)N(C)C)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1 4531847 ABJLFNNYQDZPGB-SNVBAGLBSA-N 385.635 2.983 5 50 GFBA O=C(COc1ccc(F)cc1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4872706 HUAQHCIZLKFDMO-UHFFFAOYSA-N 377.347 2.601 5 50 GFBA CCn1ccnc1[C@H](NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CCOCC1 286833494 MCKGEDQLKJHVRF-CQSZACIVSA-N 390.444 2.555 5 50 GFBA CC(C)OC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 672842 BZTZFWJWIIDQFL-UHFFFAOYSA-N 392.437 2.936 5 50 GFBA C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc2c(c1)OCO2 1055544 TZISRIHNGPCDCX-SNVBAGLBSA-N 382.328 2.921 5 50 GFBA COc1cccc([C@@H]2C[C@H](c3cccc([N+](=O)[O-])c3)Nc3nnnn32)c1OC 2914021 CHENRVIFIVKKIK-CABCVRRESA-N 382.380 2.745 5 50 GFBA O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12 4709999 AFOKSWUWEAIWPH-UHFFFAOYSA-N 377.425 2.599 5 50 GFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1 5077874 QCCAWVKDBMNMRJ-UHFFFAOYSA-N 377.422 2.541 5 50 GFBA CC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2959148 ZCBOKNDHEUTLKD-AWEZNQCLSA-N 391.449 2.705 5 50 GFBA Cc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 4302971 PIGIRUUYSICALP-DLBZAZTESA-N 387.417 2.515 5 50 GFBA COc1cc(C(=O)Nc2nnc(C(F)(F)F)s2)c([N+](=O)[O-])cc1OC 1150191 VFNMJMQBWUDZSY-UHFFFAOYSA-N 378.288 2.735 5 50 GFBA O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17078420 ZPIBNBKMJIJUFU-UHFFFAOYSA-N 384.392 2.720 5 50 GFBA Cc1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c(N)c([N+](=O)[O-])c1 225462019 BVGNGNPXHPBRPS-JSGCOSHPSA-N 392.456 2.861 5 50 GFBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cnn(Cc2ccc(F)cc2)c1 1071441 QIDAGDUQKLNTTQ-UHFFFAOYSA-N 392.778 2.776 5 50 GFBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(C2CCCCC2)CC1 4804048 LMKWSCZNBDTNAU-UHFFFAOYSA-N 385.420 2.792 5 50 GFBA O=c1[nH]nc(O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c12)OCO4 28114219 PXSPEYYAEFFUMN-UHFFFAOYSA-N 376.324 2.906 5 50 GFBA COc1ccc(/C=C2/N=C(c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)OC2=O)cc1OC 2070134 JOKIMXYHKPEIDD-LHHJGKSTSA-N 399.315 2.865 5 50 GFBA O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19789952 LHTOYOWNQIZUMN-UHFFFAOYSA-N 389.839 2.971 5 50 GFBA CCSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)c([N+](=O)[O-])c1 4144260 UZRQWJWZDFZFHG-OAHLLOKOSA-N 379.438 2.827 5 50 GFBA Cc1ccc(S(=O)(=O)NCCCOC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5341943 YCHLMNACRMXNND-UHFFFAOYSA-N 393.421 2.820 5 50 GFBA CCCOc1ccnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1 6265146 JCJJRSUIAFIOIB-UHFFFAOYSA-N 378.410 2.913 5 50 GFBA COc1cccc(OC)c1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19773702 PBBBQHMBFRMCQW-UHFFFAOYSA-N 385.420 2.570 5 50 GFBA O=[N+]([O-])c1ccc2nc(CN3CCN(c4ncnc5ccsc45)CC3)[nH]c2c1 482705246 MSNFVADAKWJAKO-UHFFFAOYSA-N 395.448 2.798 5 50 GFBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 247808036 AXZHCJRDERESNG-VUCTXSBTSA-N 376.409 2.767 5 50 GFBA