smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(CCN(C)C)c2ccc3cc4c(cc3c2c1OC)OCO4 14765574 DDCILWXYWBKXKC-UHFFFAOYSA-N 353.418 3.843 5 1 FHBF biogenic COc1cc(-c2nnsc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 28820893 USDLMBQYKJXDCE-UHFFFAOYSA-N 373.390 3.806 5 1 FHBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587194905 CUIAGRQJFYSZPK-JTQLQIEISA-N 355.354 3.597 5 1 FHBF CN(C)C(=O)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047515 JQPRXVLQDFXKIU-XBXARRHUSA-N 370.796 3.997 5 1 FHBF Nc1ccc(/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587252079 VIESPYKKJHVHIT-FPYGCLRLSA-N 359.183 3.986 5 1 FHBF Cc1nn(-c2ccc(Cl)c([N+](=O)[O-])c2)c2[nH]c3ccccc3c(=O)c12 12405813 NYCYOLVZBKMLHM-UHFFFAOYSA-N 354.753 3.737 5 1 FHBF CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163972 MUZJKTRHYKSGOD-UHFFFAOYSA-N 353.382 3.780 5 1 FHBF Nc1ccc(/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 587252078 VIESPYKKJHVHIT-BAQGIRSFSA-N 359.183 3.986 5 1 FHBF C[N+]12CCC(CC1)[C@@H](Cc1nc(-c3cccc(C(F)(F)F)c3)no1)C2 1857587124 XQEGZCSWKYOCGC-OPZOYHLJSA-N 352.380 3.784 5 1 FHBF C[C@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 26724122 LMPBCAWBSORYSZ-ZCFIWIBFSA-N 368.242 3.508 5 1 FHBF COc1cc2c(OC)nc3c4ccccc4nc(OC)c3c2cc1OC 66262672 CGRASHXMWXSNPU-UHFFFAOYSA-N 350.374 3.971 5 1 FHBF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccccc1[N+](=O)[O-] 73222097 UIPKFDFRAFOYMJ-UHFFFAOYSA-N 358.357 3.889 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](Cc1ccc([N+](=O)[O-])cc1OC)CC2=O 587473330 RYNMFFYLBUPSMF-CQSZACIVSA-N 371.389 3.838 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(CSc3nc4ccccc4o3)nn2)c1 169340300 XHFRMLCXIVEDKR-UHFFFAOYSA-N 353.363 3.609 5 1 FHBF COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1-n1cnc(Cl)c1 103235411 ZXCVQEINMHLZLB-UHFFFAOYSA-N 372.768 3.695 5 1 FHBF COc1ccc2c(CN3CCC(O)CC3)cc3cc4c(cc3c2c1)OCO4 43017414 FZHLKOUEUHFPGE-UHFFFAOYSA-N 365.429 3.687 5 1 FHBF O=c1c2ccccc2[nH]c2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c12 49785911 RIOKGIAUZLEJON-STQMWFEESA-N 371.483 3.670 5 1 FHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(OC)c1 587929062 PAWGRFBSSWSPLA-UHFFFAOYSA-N 359.357 3.803 5 1 FHBF CCCCC1CC(=O)C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C1 103273303 APDDTIGUKSINCH-UHFFFAOYSA-N 351.786 3.786 5 1 FHBF Cc1c(Cl)ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587268895 CRXSYRLGVGXCOO-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1[N+](=O)[O-] 587872331 VABOPXZSZOYGTR-UHFFFAOYSA-N 355.325 3.685 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)OCC[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963106081 JNVQYGSOSPBSKF-XOBRGWDASA-N 354.381 3.781 5 1 FHBF C[N+]12CCC(CC1)[C@@H](Cc1nc(-c3cccc(Br)c3)no1)C2 1857570299 KZBCFVNHXLCFQT-BJJGWYPJSA-N 363.279 3.528 5 1 FHBF Cc1cc2nc3ccc(N(C)C)cc3nc2cc1I 6522216 HUIFBPFNRAYAKM-UHFFFAOYSA-N 363.202 3.762 5 1 FHBF O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1 14960315 MHWHPWMWKYXCRJ-UHFFFAOYSA-N 351.322 3.570 5 1 FHBF O=[N+]([O-])c1ccc(-c2nc3cc(C4=N[C@@H]5CCCC[C@@H]5N4)ccc3[nH]2)cc1 45167147 SHHZQPHPVJSYPX-IYBDPMFKSA-N 361.405 3.799 5 1 FHBF O=c1nc(NCc2ccco2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 95575790 LUPARBQMIHAOBG-UHFFFAOYSA-N 371.296 3.789 5 1 FHBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCC(=O)O)cc1F 587646265 ZAXYNMQSQCCSBD-UHFFFAOYSA-N 358.325 3.908 5 1 FHBF C[C@]1(COc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 115607025 QMDDMCVXYCYGRO-LJQANCHMSA-N 369.352 3.828 5 1 FHBF O=[N+]([O-])c1ccc(NCCCNC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 72116369 CPLUNIRIPRCWTP-UHFFFAOYSA-N 374.441 3.863 5 1 FHBF O=C1c2ccccc2-c2cc(Cn3cc([N+](=O)[O-])cn3)nc3cccc1c23 587104680 HOBORTFUZQSPLS-UHFFFAOYSA-N 356.341 3.599 5 1 FHBF O=[N+]([O-])c1cccnc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962995394 GBQHHRFEDPUJNR-SFHVURJKSA-N 352.419 3.594 5 1 FHBF COc1ccc(-c2nc3nnccn3c2-c2ccc(C)c([N+](=O)[O-])c2)cc1 1857644994 QFYOPBKPMGZLMN-UHFFFAOYSA-N 361.361 3.684 5 1 FHBF CS(=O)(=O)c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586927015 SHEFGGTVYMHBMH-UHFFFAOYSA-N 374.425 3.730 5 1 FHBF Cc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-] 587875119 NQADTCKBJBMTHO-JTQLQIEISA-N 371.328 3.418 5 1 FHBF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc([N+](=O)[O-])c2[nH]1 587066709 GLLCJETWQPQZAP-UHFFFAOYSA-N 361.741 3.525 5 1 FHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@H]1[C@@H]3O 14824813 CMFIDYCYVJWPPL-AVRDEDQJSA-N 365.429 3.727 5 1 FHBF biogenic,in-vivo CC(C)(C)/C=C/c1cc2c(=O)c3cc(C(=O)O)c(N)nc3oc2cc1F 1857656231 XRQWTDNCAWSNFP-SNAWJCMRSA-N 356.353 3.820 5 1 FHBF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1cccc([N+](=O)[O-])c1 73222088 IGDYOIZCZLFYRW-UHFFFAOYSA-N 358.357 3.889 5 1 FHBF O=[N+]([O-])c1cccnc1NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587268523 BTTNRPUHSMYGCL-UHFFFAOYSA-N 371.360 3.575 5 1 FHBF O=c1c2ccccc2oc2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c12 169259780 SERRDWJBTVNAIH-QWHCGFSZSA-N 372.467 3.935 5 1 FHBF CN1C(=O)c2c(n3cccc3c3[nH]c4ccc(Br)cc4c23)C1=O 28870943 NHFQJQLMIFJPTJ-UHFFFAOYSA-N 368.190 3.562 5 1 FHBF Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)cc1 261085385 CMPDHSGHPWRRMQ-PTLVVNQVSA-N 367.449 3.988 5 1 FHBF Cc1ccc2c(ccc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c32)n1 587265064 RYDAYEDBISIAJF-UHFFFAOYSA-N 363.333 3.827 5 1 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)c2ccccc2C1=O 587648485 FPCYWAWRQZWENO-UHFFFAOYSA-N 363.373 3.613 5 1 FHBF C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45211048 QSVMUXQZRHDURM-YVEFUNNKSA-N 368.355 3.868 5 1 FHBF CCC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F 68573286 JBUVLTXVHVGSRR-UHFFFAOYSA-N 359.226 3.990 5 1 FHBF biogenic N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587269488 CPVDAYPVBXNUHX-LBPRGKRZSA-N 350.300 3.732 5 1 FHBF C[C@]12CC[C@@H]3c4ccc(OCCCO)c([N+](=O)[O-])c4CC[C@@H]3[C@H]1CCC2=O 105422589 UROCJSOQPSTRCB-QJLMEOIESA-N 373.449 3.781 5 3 FHBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccncc1)c1ccccc12 1613481 FESVOZYEBSIURC-UHFFFAOYSA-N 370.456 3.741 5 1 FHBF CN(C)CCn1c(=O)c2ccc3sc4ccccc4c4ccc(c1=O)c2c34 28818012 BGKVLOZDBCATTP-UHFFFAOYSA-N 374.465 3.882 5 1 FHBF Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cccc(C(F)(F)F)c32)cc1 96286447 QDTZUKDTZXNOEL-UHFFFAOYSA-N 371.318 3.506 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587270315 LXHGUEHAVCUTSI-UHFFFAOYSA-N 352.741 3.595 5 1 FHBF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587041979 GIEQZZMXAPTCSD-CYBMUJFWSA-N 374.809 3.780 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])c(F)cc1Cl)[C@@H](C2)C3=O 587424950 YOAWRNZINKGYEV-DYZYQPBXSA-N 363.728 3.885 5 1 FHBF COc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260990 OLKQVVBAZUGGHN-UHFFFAOYSA-N 356.382 3.848 5 1 FHBF CN(C)CCN1C(=O)c2c(Cl)ccc3cc4ccccc4c(c23)C1=O 27558158 NNUJEKLXNGFWFO-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF Cc1cc(CNCCCCCNCc2cccc([N+](=O)[O-])c2)ccc1O 45186640 HOWTVXFDQYAGPZ-UHFFFAOYSA-N 357.454 3.659 5 1 FHBF COc1ccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)c(O)c1 84618928 NFQSADLUMDYLCG-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF Cc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1C 587118373 PKNRKYZNFNWUFO-UHFFFAOYSA-N 353.304 3.660 5 1 FHBF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1ccc([N+](=O)[O-])cc1 1857771414 HIBFAFDEIRSOLL-CQSZACIVSA-N 366.314 3.762 5 1 FHBF CN(C)CCNC(=O)c1cccc2c1nc(-c1cccnc1)c1ccccc12 1613479 MFIJCIPACBAYAK-UHFFFAOYSA-N 370.456 3.741 5 1 FHBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1O)C[C@H]1CCCN1C3 2356519161 PXTVTTDNRMGGJY-GFCCVEGCSA-N 365.429 3.942 5 1 FHBF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 82134804 IYEISEOLPQLQAJ-ZDUSSCGKSA-N 371.441 3.792 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(Br)cc2[nH]1 587158367 DCQHKRDKEPWRCL-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(CSc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587447890 FWQLQZZNSKOUTQ-ORAYPTAESA-N 371.414 3.902 5 1 FHBF COc1ccc2c(c1)nc1c3ccccc3c(=O)cc-1n2CCCN(C)C 206607084 AHOONYPMXMDOEK-UHFFFAOYSA-N 361.445 3.615 5 1 FHBF CN(C)CCCn1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 95590800 JDTHGXNKIGFKHB-UHFFFAOYSA-N 372.424 3.804 5 1 FHBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(CCc3ccccc3)c[n+]12 299844742 WYFGGUJEUZUYCJ-UHFFFAOYSA-O 370.432 3.891 5 1 FHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264422 RNEQWBJYYFUTFQ-IWSPIJDZSA-N 356.209 3.530 5 1 FHBF COc1cc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1[N+](=O)[O-] 587263650 YLERRHMCYODOQO-UHFFFAOYSA-N 369.164 3.761 5 1 FHBF COC(=O)c1cc2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 36399176 RHMBLFABFWUWEP-UHFFFAOYSA-N 356.374 3.814 5 1 FHBF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 299849051 YAVKAJJIQHDVQA-NRFANRHFSA-N 374.400 3.895 5 1 FHBF CCS(=O)(=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586922586 PXHVPPZAOXQCJT-UHFFFAOYSA-N 365.798 3.585 5 1 FHBF O=[N+]([O-])c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587008379 VIMUBEOASSCKSC-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF Cc1c(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cnn1C 587644690 AUBAOEFCECQABK-UHFFFAOYSA-N 352.272 3.530 5 1 FHBF Cc1[nH]c(=O)nc(S)c1C(=O)Nc1cccc2cc3ccccc3cc12 6187702 BLWCGEVULLAZPO-UHFFFAOYSA-N 361.426 3.926 5 1 FHBF C[C@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)c2c(N)ncnc21)c1ccccc1 1857593072 OCIKJJNQFNWMKD-CYBMUJFWSA-N 374.404 3.787 5 1 FHBF O=C(Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-])c1cc(O)cc(O)c1 73197397 RSTQJFUWEIWUKS-UHFFFAOYSA-N 350.330 3.925 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587270989 VHCXIOOYCKWAET-LBPRGKRZSA-N 368.290 3.872 5 1 FHBF O=c1cc2n(CCCN3CCCCC3)c3ncccc3nc-2c2ccccc12 299860941 KAFOXJAQUXUGFP-UHFFFAOYSA-N 372.472 3.926 5 1 FHBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587388557 DEMURSLDRMUDBK-FQEVSTJZSA-N 368.389 3.691 5 1 FHBF COC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269367 LZWBIYCRXMCRES-UHFFFAOYSA-N 366.377 3.525 5 1 FHBF CCCOc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587778452 KLWLKDBBDIXZCF-UHFFFAOYSA-N 356.338 3.759 5 1 FHBF O=[N+]([O-])c1cccc(-c2nnc3n2N[C@H](C=Cc2ccccc2)S3)c1 2356875742 HHOMCUMXDNWTCT-HNNXBMFYSA-N 351.391 3.542 5 1 FHBF COc1ccc2c(c1OC)[C@](C)(c1cc([N+](=O)[O-])ccc1F)N(C)[C@@H](C)C2 962617228 AXBWQOGTHAUZMX-YUNKPMOVSA-N 374.412 3.891 5 1 FHBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C(N)=O)(c1ccccc1)c1ccccc1)C2 103234818 VZJLEGOMUHPKEC-FJPGZJACSA-O 363.525 3.866 5 1 FHBF COc1cc2c(cc1OC)C(/C=C(\O)c1ccc([N+](=O)[O-])c(C)c1)=NCC2 101772959 YNZTYDBZRWKMJN-WQRHYEAKSA-N 368.389 3.865 5 1 FHBF O=c1c2ccccc2n(Cc2cn(Cc3ccccc3)nn2)c2ccccc12 299862357 JNNPDYMRWFDTIS-UHFFFAOYSA-N 366.424 3.843 5 1 FHBF CC[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc([N+](=O)[O-])cc1C 587875114 NMDUJYZLYOMISR-ZDUSSCGKSA-N 371.328 3.500 5 1 FHBF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587043509 QXNBIYMYTCJUDO-CQSZACIVSA-N 374.809 3.780 5 1 FHBF COc1ccc2c(c1OC)Oc1c(OC)ccc3c1[C@H](C2)[N+](C)([O-])CC3 14691001 BYUPLZVRFTWBAU-YXWRBFHGSA-N 357.406 3.602 5 1 FHBF COc1c(O)c(OC)c2oc3cccc(O)c3c(=O)c2c1CC=C(C)C 14763098 AIBPYVNEBSHOCZ-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1[C@@H](O)Cc1cc2c3c(cccc3n1)CC2 587211779 WRJSOKRBPYJNIE-SFHVURJKSA-N 350.374 3.526 5 1 FHBF Nc1ncc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587267624 BWTLRFAAPBZPQC-UHFFFAOYSA-N 368.578 3.531 5 1 FHBF COc1cc(CCCO)cc2c([N+](=O)[O-])c(-c3ccc4c(c3)OCO4)oc12 40395301 UZQRAWVQRTYFBF-UHFFFAOYSA-N 371.345 3.670 5 1 FHBF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc([N+](=O)[O-])ccc31)CC2=O 587470477 JZIDSCGDNSOSOT-HXUWFJFHSA-N 369.373 3.896 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O 587472983 PNFWCRAUQMHBDD-IBGZPJMESA-N 356.378 3.716 5 1 FHBF CC[C@@H]1OCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586914661 XKBGMOCQXBGYTF-CABZTGNLSA-N 354.204 3.906 5 1 FHBF Cc1cc(OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)ccc1Cl 653795347 IOZFBVWJJBMJMR-UHFFFAOYSA-N 358.785 3.775 5 1 FHBF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587175101 PMFKHUMBMNNGSA-LBPRGKRZSA-N 373.775 3.987 5 1 FHBF CC1CCN(C(=O)c2cccn3c(=O)c4cc5ccccc5cc4nc23)CC1 2965623 YSJYASNDJZTXTE-UHFFFAOYSA-N 371.440 3.873 5 1 FHBF CCCc1cc(=O)c2c(OC)c(OC)c3cc(OC)cc(OC)c3c2o1 1911579028 FJUDYWSLKZXOBW-UHFFFAOYSA-N 358.390 3.933 5 1 FHBF CCN(CC)CCNCCn1c2ccccc2c2nc3ccccc3nc21 1772610165 DQDOYNDWKMEAJO-UHFFFAOYSA-N 361.493 3.669 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 587158344 CSKSNLKFPYCGHP-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF O=C1NC[C@@H](c2cc3ccc4ccccc4c3nc2O)Nc2ccccc21 1857750910 VBXAXAPDWAVMIR-IBGZPJMESA-N 355.397 3.990 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587158340 CPNCFVZKCDYSII-UHFFFAOYSA-N 371.303 3.514 5 1 FHBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)(O)[C@@H]1N2C 13475498 LMOGTSBPJOKDHW-GGGSXUAESA-O 368.457 3.879 5 1 FHBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCCCCC1 169719448 DTMVWMPJOCXANI-IAGOWNOFSA-N 373.409 3.702 5 1 FHBF Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4cc(O)ccc4c3c2c1=O 58506628 ZGHAURWNSIJZPN-UHFFFAOYSA-N 372.336 3.731 5 1 FHBF COc1ccccc1CNc1cc(-c2ccc(C)c([N+](=O)[O-])c2)ncn1 82161657 FEARGIORTMRFPD-UHFFFAOYSA-N 350.378 3.981 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2[N+](=O)[O-])N1 587743444 AQWCBQGTVFNSJC-AYVTZFPOSA-N 366.190 3.515 5 1 FHBF Cc1c(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cnn1C 587645384 SWSULTVARBWFSR-UHFFFAOYSA-N 352.272 3.530 5 1 FHBF O=C(O)c1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587269450 CRKMJMMZIPLIMW-UHFFFAOYSA-N 360.329 3.898 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1[N+](=O)[O-] 586887421 IANVLNQDOOTKDG-KPZWWZAWSA-N 350.334 3.751 5 1 FHBF OCCCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1 1772613205 KOJJRZKMDJBPTI-UHFFFAOYSA-N 373.416 3.720 5 1 FHBF COc1cccc(N=c2[nH]c(-c3cccnc3)nc3ccc([N+](=O)[O-])cc23)c1 1857630355 ZBRTWSUCWFIGDC-UHFFFAOYSA-N 373.372 3.774 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(Br)c(F)cc3F)nc2c1 587136867 XXXYFLZVYYISQB-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF C[N+]1(C)CCC[C@H]1[C@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40424159 VPWKHNIBDCHPNN-UGCAPWQASA-N 362.559 3.806 5 1 FHBF CC[N@+]1(C)CC[C@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 254209897 YSWUASFXPBRSMW-OEMFJLHTSA-N 352.498 3.860 5 1 FHBF Cc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cnn1-c1ccc(Cl)cc1 587075570 INTYBEOIOKRORG-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1OC)C=CC(C)(C)O4 13397660 OBCBNXMEAJGWOD-UHFFFAOYSA-N 367.401 3.599 5 1 FHBF biogenic O=[N+]([O-])c1ccc2c(c1)nc1n2CCOc2ccc(Br)cc2-1 299857914 DHEQWUFPXQWTAG-UHFFFAOYSA-N 360.167 3.766 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccc([N+](=O)[O-])c4cccnc14)[C@@H](C2)C3=O 587432027 SZEPZWWETDSCFT-XOBRGWDASA-N 362.341 3.640 5 1 FHBF COc1ccc2c(c1OC)[C@H](c1ccc([N+](=O)[O-])cc1C)N(C)[C@@H](C)C2 962632825 PDIMJPIMQPGZBK-DJJJIMSYSA-N 356.422 3.886 5 1 FHBF NC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26749857 WGZNLQUCFSXCGZ-FQEVSTJZSA-N 356.381 3.734 5 1 FHBF NCCN=c1[nH]c2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12 2382217838 YCPSMWFOJGOLKC-UHFFFAOYSA-N 373.840 3.548 5 1 FHBF O=C1CCc2cc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3cc2N1 587140319 YVYIHHVHHHHTHP-UHFFFAOYSA-N 360.732 3.815 5 1 FHBF CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587957117 PZUOBSFGICTDKL-UHFFFAOYSA-N 368.349 3.757 5 1 FHBF O=[N+]([O-])c1ccc(O[C@@H]2[C@@H](n3ccnc3)CCC[C@H]2n2ccnc2)c(F)c1 253798321 SMWAWEDWJSOCAH-VQFNDLOPSA-N 371.372 3.541 5 1 FHBF O=[N+]([O-])c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)no1 299858534 DRLQWVQBOREERZ-UHFFFAOYSA-N 367.296 3.966 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)c([N+](=O)[O-])c1 587263967 ISBJWDBZHQALGX-UHFFFAOYSA-N 352.350 3.849 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(COc3ccc(F)cc3)[nH]c12 587169454 WUOJKZGNDYEOOV-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc([N+](=O)[O-])cc31)CC2=O 587469787 FPXRWTOQTJBVQP-FQEVSTJZSA-N 369.373 3.896 5 1 FHBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc12 587088026 SDEHBFPMAIOUNS-UHFFFAOYSA-N 352.741 3.644 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])o2)N1 587754449 YVPLKBQRXZSUKB-JKYUHCHBSA-N 355.163 3.713 5 1 FHBF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(F)ccc([N+](=O)[O-])c1F 963638478 UATUSONTYCGGDY-NIVTXAMTSA-N 364.348 3.514 5 1 FHBF O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3ccc(O)cc3c12 58511226 VZAJNAMCAWDCMR-UHFFFAOYSA-N 358.309 3.721 5 1 FHBF CC(C)N(C[C@@H](O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C 40914981 MDRUDNDNKKHVDJ-QGZVFWFLSA-N 352.478 3.634 5 1 FHBF CC[N@+]1(C)CC[C@@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 253649189 YSWUASFXPBRSMW-QPTUXGOLSA-N 352.498 3.860 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587420867 JHEHFJCWFBHCTG-KPZWWZAWSA-N 359.765 3.920 5 1 FHBF O=c1oc2cc(OCCCCOc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 169337538 XKZINHCOJTWIQQ-UHFFFAOYSA-N 371.345 3.645 5 1 FHBF C[N+]1(C)CCC[C@H]1[C@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40973760 VPWKHNIBDCHPNN-SMTRIPRVSA-N 362.559 3.806 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1[N+](=O)[O-])CC2=O 587468086 AOOQMXUMGGZZIM-GOSISDBHSA-N 357.362 3.968 5 1 FHBF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1[N+](=O)[O-] 82157404 RMDJFHZTBQLJGZ-HXUWFJFHSA-N 361.357 3.987 5 1 FHBF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2ccc([N+](=O)[O-])cc2)n1 82224947 XXMJOAXPZQKZPV-OLZOCXBDSA-N 371.441 3.791 5 1 FHBF O=c1c2ccccc2n(C[C@H](O)CN2CCCCC2)c2c(Cl)cccc12 49582969 TXUQIVCNJMPUTF-OAHLLOKOSA-N 370.880 3.655 5 1 FHBF COc1c(F)c(F)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c1F 587280314 SETLSQWRDYEYEN-UHFFFAOYSA-N 351.236 3.998 5 1 FHBF O=[N+]([O-])c1cccc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587270849 VDWBHKDGTYUPGG-UHFFFAOYSA-N 371.706 3.670 5 1 FHBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587164128 WVZZJABDCQOWNF-UHFFFAOYSA-N 362.320 3.903 5 1 FHBF CN1C(=O)C(=O)c2c3ccccc3c(O)c3c(Br)ccc1c23 2470978 RKWOPNNKNCNLRE-UHFFFAOYSA-N 356.175 3.620 5 1 FHBF biogenic N[C@@H](Cc1cc(Cl)c(Cl)c(-c2cccc([N+](=O)[O-])c2)c1)C(=O)O 45392322 JQRAIGBULJUZQZ-ZDUSSCGKSA-N 355.177 3.523 5 1 FHBF Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cs1 587021211 LBHVNHMXBLPPJK-UHFFFAOYSA-N 370.350 3.806 5 1 FHBF COc1cc2c3c(c1)O[C@@](c1cccc([N+](=O)[O-])c1)(C1CC1)[C@@H](C2)C3=O 587434383 UGRBXHQLSRHHFE-OXJNMPFZSA-N 351.358 3.656 5 1 FHBF O=C(O)c1cc([N+](=O)[O-])ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512885 PGVHNPNODARJER-SFHVURJKSA-N 367.357 3.878 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120678 CTSGPLJFZWAIFX-UHFFFAOYSA-N 365.193 3.899 5 1 FHBF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646294 ZKRKLRGYUQTDDO-UHFFFAOYSA-N 356.309 3.628 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cncc(C)c2[nH]1 587264349 QRATVXSFHPDHPX-NSHDSACASA-N 370.365 3.526 5 1 FHBF Cc1nc(C)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)s1 587011155 DIUVFMYGKHMJFL-UHFFFAOYSA-N 367.228 3.898 5 1 FHBF COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 100711190 UNDDXMPGFXYSLT-UHFFFAOYSA-N 374.396 3.839 5 3 FHBF CCCCOCCCNC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086280 KQHRBTXWUWDMQB-UHFFFAOYSA-N 363.439 3.655 5 1 FHBF O=c1nc2oc3ccc4ccccc4c3cc-2c(=O)n1Cc1ccccc1 95554152 JURXTEOHXWYXJH-UHFFFAOYSA-N 354.365 3.656 5 1 FHBF O=C(COc1ccc(F)cc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2 587873968 QRVPVTGOVSGSTF-UHFFFAOYSA-N 373.271 3.561 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586916348 LPNSJDAYLAOHRW-BUXKBTBVSA-N 369.352 3.827 5 1 FHBF CN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1c(F)cc(F)cc12 49563427 WRLAAIPYYUEIDK-UHFFFAOYSA-O 355.412 3.551 5 1 FHBF O=C(COc1ccccc1[N+](=O)[O-])n1nc2cc1Oc1ccc(F)cc1-2 587874476 CABIUEWFXORAIZ-UHFFFAOYSA-N 355.281 3.422 5 1 FHBF O=c1oc2c(ccc3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1Cl 169324322 KMJCDNXBHSYOGW-UHFFFAOYSA-N 368.732 3.659 5 1 FHBF C[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275303 BNWLJEWAAFFBFI-SSDOTTSWSA-N 357.317 3.889 5 1 FHBF CN(C)CCNC(=O)c1cccc2cc3ccc(C(F)(F)F)cc3nc12 29561377 QZGOWDSCWLIOKI-UHFFFAOYSA-N 361.367 3.698 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587264289 KYMFXVGHOKFFPA-UHFFFAOYSA-N 368.136 3.672 5 1 FHBF O=[N+]([O-])c1ccccc1/C=C/c1nnc(-c2ccc3c(c2)OCCO3)o1 96269802 VPPHMKQSXQXLTA-SOFGYWHQSA-N 351.318 3.586 5 1 FHBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cccc([N+](=O)[O-])c12 587647423 HXPNTMLUOUSKKE-UHFFFAOYSA-N 369.333 3.752 5 1 FHBF Cn1ccc2cc(F)c3c4[nH]c5ccccc5c4c4c(c3c21)C(=O)NC4=O 13535021 YNVJFXDCRAXAKP-UHFFFAOYSA-N 357.344 3.989 5 1 FHBF Cc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166121 MWSNRDIUMQZBAQ-UHFFFAOYSA-N 351.341 3.986 5 1 FHBF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc([N+](=O)[O-])ccc2c1CCCO 587646683 GXCRNUCHUVOPRC-NSHDSACASA-N 363.414 3.587 5 1 FHBF CC(C)(C)c1cccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c12 587265395 TXZHMWDNOISLQT-ZDUSSCGKSA-N 354.410 3.717 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434711 ZEPYVURJDWNIMP-XOBRGWDASA-N 364.357 3.882 5 1 FHBF COc1ccc2[nH]c(-[c-]3c(=O)[nH]c4ccc([N+](=O)[O-])cc43)c(N=O)c2c1 169723376 AJLNBZTXZGXBGH-UHFFFAOYSA-N 351.298 3.710 5 1 FHBF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc([N+](=O)[O-])s1)NCC3 963036952 QEPZXRJAVKHMEB-GOSISDBHSA-N 355.419 3.622 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3c(C)ccnc3[nH]2)c(C)c1[N+](=O)[O-] 587267814 RJFBXCGNBKCPOJ-UHFFFAOYSA-N 362.393 3.703 5 1 FHBF C[C@@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O2 2498678 ABHHIZREMFRESL-SUMWQHHRSA-N 361.304 3.643 5 1 FHBF COc1ccc(NC(=O)c2c(Cl)nc(Cl)c([N+](=O)[O-])c2C)cc1 4558393 SDJADOWIVDICSZ-UHFFFAOYSA-N 356.165 3.866 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(C[N+](=O)[O-])CC2=O 587472898 OFNOCLXIYPWOSX-HXUWFJFHSA-N 355.390 3.568 5 1 FHBF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1 587646427 AEKXXVXESQBMKB-UHFFFAOYSA-N 367.361 3.814 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c12 587161405 NNUVMORLEOAQKP-UHFFFAOYSA-N 372.747 3.570 5 1 FHBF O=c1c2ccccc2oc2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c12 169259864 SERRDWJBTVNAIH-STQMWFEESA-N 372.467 3.935 5 1 FHBF Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 299855065 CXLWBDWOXGMOJR-HNNXBMFYSA-N 374.393 3.740 5 1 FHBF COc1ccc2c(c([C@@H]3NCCc4ccc(F)c(C)c43)cn2C)c1[N+](=O)[O-] 962299596 OVLPBFCHRICYBX-IBGZPJMESA-N 369.396 3.778 5 1 FHBF Cc1cc(-c2nc(-c3ccc(OCC(C)C)c([N+](=O)[O-])c3)n[nH]2)ccn1 3817568 JFWHHTICZZBWDL-UHFFFAOYSA-N 353.382 3.785 5 1 FHBF Cc1cc(Nc2cccc([N+](=O)[O-])c2)cc(=O)n1-c1cccc([N+](=O)[O-])c1 199263012 UBVABAVECBNBMN-UHFFFAOYSA-N 366.333 3.706 5 3 FHBF C[N+](C)([O-])Sc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCCC3)C(=O)N2 45289225 VZGAFLRFFKCZIF-YBEGLDIGSA-N 355.463 3.968 5 1 FHBF in-vivo COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O 587419377 CRZPGBWTSWCRIH-BBATYDOGSA-N 359.765 3.920 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2[N+](=O)[O-])N1 587746141 JGLTUXOTDSVCRH-XLKFXECMSA-N 366.190 3.515 5 1 FHBF CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1ccc(F)cc12 40950146 QFEIUMFDMLPLHS-UHFFFAOYSA-O 351.449 3.802 5 1 FHBF O=[N+]([O-])c1ccc(-c2nc3cc(C4=N[C@H]5CCCC[C@@H]5N4)ccc3[nH]2)cc1 45167149 SHHZQPHPVJSYPX-HOTGVXAUSA-N 361.405 3.799 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587420869 JHEHFJCWFBHCTG-SGTLLEGYSA-N 359.765 3.920 5 1 FHBF COc1ccc(Cl)c2c1CCN[C@@]2(C)CC(=O)c1ccc([N+](=O)[O-])cc1 963271128 SPUMPHPUNMDTEJ-IBGZPJMESA-N 374.824 3.891 5 1 FHBF O=c1c2cc3ccccc3nc2nc2sc3nc4ccccc4nc3n12 49054262 QRUXTOMSEURFAD-UHFFFAOYSA-N 355.382 3.554 5 1 FHBF Cc1cc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2cc1[N+](=O)[O-] 586913502 MDFAFFLWBIGTSV-UHFFFAOYSA-N 353.378 3.582 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586903134 NPURDQVCCZZOFW-GWCFXTLKSA-N 374.194 3.803 5 1 FHBF CSc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587092250 TWJMASOLEMWVPN-UHFFFAOYSA-N 357.317 3.619 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=NCC3CCCCC3)oc12 1857577196 BSPWYFFIHNXRSJ-UHFFFAOYSA-N 371.315 3.941 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1[N+](=O)[O-])(C1CC1)O2 587389139 JFAKESBDMWQNSN-FQEVSTJZSA-N 352.390 3.842 5 1 FHBF COc1cccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587265712 SDTFGVSZWMOLRF-VIFPVBQESA-N 357.326 3.561 5 1 FHBF COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1C 587136723 JZNHUQDUAFRTHR-UHFFFAOYSA-N 358.373 3.872 5 1 FHBF O=c1c2sccc2nc(SCc2cccc([N+](=O)[O-])c2)n1C1CC1 2932281 NEEJPVMHTMSUTN-UHFFFAOYSA-N 359.432 3.993 5 1 FHBF COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587787361 OLRGFKMCFQSNAO-UHFFFAOYSA-N 353.378 3.912 5 1 FHBF COc1ccc(-c2cc3nc(N(C)C[C@@H](C)O)c4ccccc4c3nn2)cc1 28758024 PDVUVVRSLAJFCO-CQSZACIVSA-N 374.444 3.671 5 1 FHBF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 82135861 ZPGXSDKIQDOPOY-STQMWFEESA-N 371.441 3.791 5 1 FHBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@+](C)([O-])[C@@H]1N2C 261101083 GHYFEILIYSGWHS-PTLVVNQVSA-N 367.449 3.988 5 1 FHBF Cc1c(-c2nc3nc(Cl)c[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] 586979541 FLHFFWKWUHDKMI-UHFFFAOYSA-N 368.578 3.604 5 1 FHBF C[N@@+]1(CC[N@@+]2(C)CCC[C@@H]2c2cccnc2)CCC[C@@H]1c1cccnc1 263602499 MJRIWDXWCJJQJG-QMWXCIFZSA-N 352.526 3.740 5 1 FHBF Cc1cc(Br)cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587275349 CPMGOHGBLXMIOC-SECBINFHSA-N 364.203 3.542 5 1 FHBF C[N+](C)(C)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902725 WMFBVALEWVYGQW-UHFFFAOYSA-O 374.464 3.871 5 1 FHBF Cc1cc2[nH]c(C(F)(Br)Br)nc2cc1[N+](=O)[O-] 587086562 DEMMIBCUWZHDPQ-UHFFFAOYSA-N 366.972 3.649 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1OC(F)F)O2 587380854 BPWBQWGBCMJPPS-OAHLLOKOSA-N 364.304 3.793 5 1 FHBF COc1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(OC)c1 2716186 QQRNWVHTGXOENQ-UHFFFAOYSA-N 359.381 3.521 5 3 FHBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2c(C(=O)O)cccc12 587637376 BWJWWFJJLJIDNQ-UHFFFAOYSA-N 368.345 3.542 5 1 FHBF COc1cc2c(CO)cc3c4cc5c(cc4ncc3c2cc1OC)OCO5 38824805 VURYFYCZVARMSO-UHFFFAOYSA-N 363.369 3.779 5 1 FHBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 587787375 VBKHKHMJQITJKF-ZIAGYGMSSA-N 351.362 3.723 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005889 YFPHJWAKDVDZRI-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF COc1ccc2c(=O)c3c(O)cc4c(c3oc2c1OC)C(C)(C)[C@H](C)O4 2356613994 DLXKBRSCEHIVLC-VIFPVBQESA-N 356.374 3.728 5 1 FHBF c1c2c(cc3c1c1c(c4cc5c(cc43)OCO5)CN3CCC[C@@H]3C1)OCO2 73295260 GDFCGBDOHRGMNY-GFCCVEGCSA-N 361.397 3.971 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O 587468717 CTYLIUKKTICZHK-KRWDZBQOSA-N 372.333 3.868 5 1 FHBF O=[N+]([O-])c1cccc(-c2nc3ccc(C4=N[C@@H]5CCCC[C@H]5N4)cc3[nH]2)c1 45166981 HAJHTEPGNVMPBP-HZPDHXFCSA-N 361.405 3.799 5 1 FHBF CC[N+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 40913841 WMQSUNYBOBDAGR-FKSKYRLFSA-N 368.453 3.623 5 1 FHBF COc1ccc2c(=O)c3cc4ccccc4cc3n(C)c2c1COC(C)=O 40393050 OYOQEGJTVJJSJD-UHFFFAOYSA-N 361.397 3.917 5 1 FHBF COc1nccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c12 586980401 XATLVDANMJOJLK-UHFFFAOYSA-N 363.171 3.613 5 1 FHBF NS(=O)(=O)c1c[nH]c(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586930685 VPEYAHJODIRVND-UHFFFAOYSA-N 362.414 3.512 5 1 FHBF O=[N+]([O-])c1ccc(O[C@H](CCn2ccnc2)COc2ccccc2)c(F)c1 45339639 DPVBETBPHVVING-QGZVFWFLSA-N 371.368 3.847 5 1 FHBF Cc1nc(-c2cc3cc(OC(C)C)cc([N+](=O)[O-])c3[nH]2)sc1C(=O)O 653707140 CJZRKAZYEVMXSR-UHFFFAOYSA-N 361.379 3.993 5 1 FHBF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646495 CKFWONUBDHQZBF-UHFFFAOYSA-N 352.350 3.595 5 1 FHBF O=[N+]([O-])c1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587780961 NIFZCWRAVQYQDQ-QPJJXVBHSA-N 354.322 3.609 5 1 FHBF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1c([N+](=O)[O-])ccc(F)c1F 587650264 QMELYWTYZIJIKJ-UHFFFAOYSA-N 366.345 3.733 5 1 FHBF COc1ccc2oc3c4ccccc4oc(=O)c3c2c1CN1CCCC1=O 1857553309 IEFZNIQAPZQAIT-UHFFFAOYSA-N 363.369 3.823 5 1 FHBF O=C(O)c1cc(F)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269527 PQLZBNUJBBBUNQ-UHFFFAOYSA-N 370.340 3.576 5 1 FHBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587507907 DBNMEDLJGJTZGY-GOSISDBHSA-N 369.373 3.894 5 1 FHBF CCOC(=O)CCc1cc2c3nc4ccccc4c-3ccn2cc1C(=O)O 473097109 CZBKZEBYQRSUMS-UHFFFAOYSA-N 362.385 3.786 5 1 FHBF O=C1C[C@@](Cc2ccccc2)(C[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510556 LKMLIIMBCWQQIV-NRFANRHFSA-N 351.402 3.789 5 1 FHBF [O-][n+]1ccccc1SCc1nc2c3cccnc3c3ncccc3c2[nH]1 586969029 MRAADCSVOFIQBI-UHFFFAOYSA-N 359.414 3.585 5 1 FHBF C[C@H](O)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772601734 VTDKHRYJIRAERL-BYPYZUCNSA-N 352.224 3.958 5 1 FHBF CCn1c(=O)c2cc3c(cc2c2ccc4cc5c(cc4c21)OCO5)OCO3 2356340192 JJRCJLWWDBHBFD-UHFFFAOYSA-N 361.353 3.785 5 1 FHBF O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])NC(C(F)(F)F)C(F)(F)F 68573421 BHOBIBLUFHZBTA-UHFFFAOYSA-N 365.617 3.863 5 1 FHBF biogenic Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587273326 GVDQTSKYPOTHGC-UHFFFAOYSA-N 357.317 3.636 5 1 FHBF N=c1nc(-c2ccccc2Cl)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c[nH]1 587060593 KAXZAKJYRXMCOM-UHFFFAOYSA-N 366.768 3.661 5 1 FHBF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587432674 KGHMTQDCELUWTO-HRAATJIYSA-N 365.385 3.928 5 1 FHBF Nc1nc2oc3ccc(CCC4CCCC4)cc3c(=O)c2cc1C(=O)O 1857765524 SOEXKGMRDDYHFO-UHFFFAOYSA-N 352.390 3.744 5 1 FHBF C[N+]1(C)[C@H]2CC[C@@H]1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 29568951 QBBZFMTXELSEFR-RLAPIPATSA-N 364.465 3.601 5 1 FHBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1cccc2ccccc12 72175504 LFAMAZNGBGZHCL-VNDWYCCKSA-N 365.389 3.898 5 1 FHBF O=[N+]([O-])c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1F 587119770 WXPOXBUILQYXEQ-UHFFFAOYSA-N 369.278 3.751 5 1 FHBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587242391 RLSXYNUWDCVBOK-UHFFFAOYSA-N 353.382 3.908 5 1 FHBF CN(C)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1 1857578119 ZSSRGWMBASCTEG-UHFFFAOYSA-N 351.233 3.929 5 1 FHBF N[C@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1F 587150576 MYHKHIMVDLIPMD-HNNXBMFYSA-N 361.355 3.986 5 1 FHBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587080885 UYVZGQUZUGILTK-CYBMUJFWSA-N 355.785 3.848 5 1 FHBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587241646 FUDFLNKNUYZXAU-UHFFFAOYSA-N 371.353 3.586 5 1 FHBF O=C1[C@H]2[C@H]3C=C[C@H](CCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 28359291 DPIBWBIMTOFSKN-FUOYASODSA-N 362.385 3.840 5 1 FHBF COC(=O)/C(=C\c1ccccc1[N+](=O)[O-])c1cc2c3c(cccc3n1)CC2 587211764 VVWOZHOZCUFPKA-WJDWOHSUSA-N 360.369 3.955 5 1 FHBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 587787373 VBKHKHMJQITJKF-KGLIPLIRSA-N 351.362 3.723 5 1 FHBF Cc1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1[N+](=O)[O-] 587008385 VOLAOYSJDAWCDL-UHFFFAOYSA-N 372.182 3.857 5 1 FHBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1[N+](=O)[O-] 587646924 ATJOTZPBJHVNQX-UHFFFAOYSA-N 369.333 3.757 5 1 FHBF O=[N+]([O-])c1cncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074525 BDFPWLFKTCNNHO-CQSZACIVSA-N 357.801 3.857 5 1 FHBF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc([N+](=O)[O-])c4[nH]1)(C3)C2 587949759 AOUBQWILFDDOPL-NFAYLAGKSA-N 355.394 3.625 5 1 FHBF O=[N+]([O-])c1cc(CSc2n[nH]c(-c3ccccc3)n2)cc([N+](=O)[O-])c1 1857570817 SOLWSRJZVSTIAS-UHFFFAOYSA-N 357.351 3.580 5 1 FHBF CCc1c2c(O)c(OC)ccc2c2ccc3cc4c(cc3c2[n+]1C)OCO4 100826264 OAKUFERESWZKNO-UHFFFAOYSA-O 362.405 3.976 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587649764 ZNIMDEKQOSETKY-HNNXBMFYSA-N 361.398 3.693 5 1 FHBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C 587205416 RCJICXKPOVPGCZ-ZDUSSCGKSA-N 362.430 3.953 5 1 FHBF O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3 835643 LRQFQGANXKYCER-UHFFFAOYSA-N 367.364 3.731 5 1 FHBF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc([N+](=O)[O-])cc1 82157407 KYKRTLHOEFERDJ-FQEVSTJZSA-N 361.357 3.987 5 1 FHBF COc1cc2cn(C)c3c4cc(OC)c(=O)cc4c(O)cc3c2cc1OC 377840456 WFUNSRQWGTUANO-UHFFFAOYSA-N 365.385 3.576 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1F 587149529 USGJSRRKBRGKLG-UHFFFAOYSA-N 371.303 3.514 5 1 FHBF Cc1cc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587234051 VQVUGRXQHSQQMP-NWDGAFQWSA-N 360.414 3.940 5 1 FHBF COc1ccc(-c2nnc(-c3cc4ccc([N+](=O)[O-])cc4o3)o2)c(O)c1 1857612094 CSFFDAGRSBROSL-UHFFFAOYSA-N 353.290 3.772 5 1 FHBF CC[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253668214 WMQSUNYBOBDAGR-MBSDFSHPSA-N 368.453 3.623 5 1 FHBF Cc1cc(Br)c2[nH]c([C@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587277574 YTAYPFJIZRYUPR-SECBINFHSA-N 364.203 3.542 5 1 FHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@@H]1[C@H]3O 14824817 CMFIDYCYVJWPPL-XMSQKQJNSA-N 365.429 3.727 5 1 FHBF biogenic,in-vivo COc1ccc(Sc2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 96914913 RVEPUONGYIWBJE-UHFFFAOYSA-N 351.380 3.780 5 1 FHBF CC(C)(C)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586919750 FYACQHKPVPEUFX-UHFFFAOYSA-N 373.434 3.743 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1 587263488 AKKRFUPLQASWPE-UHFFFAOYSA-N 368.683 3.902 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)nn2)c1 587269831 PLUDEAFEPVSJTD-UHFFFAOYSA-N 374.282 3.738 5 1 FHBF CC[C@H]1OCCC[C@@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586914662 XKBGMOCQXBGYTF-JOYOIKCWSA-N 354.204 3.906 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 587159719 VHGIZJHCTZUNJE-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c([N+](=O)[O-])c1 587266102 ZPKXKEIFPXLSIM-UHFFFAOYSA-N 368.136 3.672 5 1 FHBF CCN(CC)C[C@@H](O)Cn1c2ccccc2c(=O)c2cccc(Cl)c21 49816738 ZNFNICXYFRLMJV-CQSZACIVSA-N 358.869 3.511 5 1 FHBF C[N+]1(CCCCCCCCCCCC[N+]2(C)CCOCC2)CCOCC1 6068258 RWKTWTWPAAUDTL-UHFFFAOYSA-N 370.622 3.841 5 1 FHBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C(=O)O)cccc12 587638877 WWVDIPDYORTPDI-UHFFFAOYSA-N 354.318 3.618 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3ccc(O)cc3[nH]2)c(C)c1[N+](=O)[O-] 587267071 FEJQPSMWMPABIH-UHFFFAOYSA-N 363.377 3.705 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1OC)CC2=O 587473586 YCTIWCCLQQGURR-GOSISDBHSA-N 357.362 3.968 5 1 FHBF NCCCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 84706687 CIZRQBVIQWZPPA-UHFFFAOYSA-N 354.410 3.521 5 1 FHBF O=[N+]([O-])c1ccc([C@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1 84758888 CLPXEXYSIPWDMI-OAQYLSRUSA-N 352.434 3.893 5 1 FHBF Cc1cc(Br)cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587269251 UPWSPQQLVYFDPY-UHFFFAOYSA-N 362.187 3.549 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2[N+](=O)[O-])N1 587749214 CTPDMSHPJPVLJU-BCQZVRRWSA-N 357.223 3.537 5 1 FHBF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587434389 UIQKFNCNYFOFJS-OXJNMPFZSA-N 351.358 3.583 5 1 FHBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587166850 CBBQFTDTGHPWHP-INIZCTEOSA-N 369.356 3.979 5 1 FHBF COc1ccc2c(c1OC)[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962627034 KKRLOGTWNVWEFX-FKIZINRSSA-N 374.412 3.891 5 1 FHBF CCCCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 96913477 IPZSNWYYYAJHGL-GOSISDBHSA-N 357.366 3.770 5 1 FHBF O=Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587511591 QOGMLZOTKCXIHG-SFHVURJKSA-N 367.357 3.698 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587647080 OXRSTIPZPCRVSB-UHFFFAOYSA-N 353.422 3.939 5 1 FHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(OC)c1 587929560 WWFXJZGVNWJEFU-UHFFFAOYSA-N 355.394 3.972 5 1 FHBF CN(CCCCOc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 473107058 HFJPRVFMQKUCLB-UHFFFAOYSA-N 359.382 3.794 5 1 FHBF COc1cc([N+](=O)[O-])ccc1-n1cnc2c(Cl)cc(Cl)cc2c1=O 653723602 IZGDOUFCTYAWAU-UHFFFAOYSA-N 366.160 3.609 5 1 FHBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cn1 587862987 OFPNCDMKKCDZFT-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c([N+](=O)[O-])c1)CC2=O 587473471 VTEFREMYEQKJIH-LJQANCHMSA-N 357.362 3.839 5 1 FHBF CCCCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])o3)O2)cc1 169348087 PLVMESFOIKWDPG-GOSISDBHSA-N 373.365 3.606 5 1 FHBF Cn1c(SCc2ccccc2)nnc1-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1857620315 BBCKBPUCRPWLBY-UHFFFAOYSA-N 371.378 3.591 5 1 FHBF CN(C)CCCn1nc2c3ccccc3sc3c(NCCN)ccc1c32 29329657 MGJSUVNQPDYXPS-UHFFFAOYSA-N 367.522 3.727 5 1 FHBF COc1cc(O)c2c(=O)c3ccc(O)c(OC)c3n(C)c2c1CC=C(C)C 14679120 DRARSUWLNZTZMD-UHFFFAOYSA-N 369.417 3.629 5 1 FHBF biogenic N[C@H](Cc1cc(Cl)c(Cl)c(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)O 45351983 VPRDDEXOIBZFER-CYBMUJFWSA-N 355.177 3.523 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)cc1[N+](=O)[O-])CC2=O 587473341 SFQVWQLDHOGIMW-KRWDZBQOSA-N 373.361 3.674 5 1 FHBF O=[N+]([O-])c1c(Br)cccc1/N=c1/ssnc1Cl 100475665 BCBIJQMMXLMHSB-DHZHZOJOSA-N 352.622 3.761 5 1 FHBF C[C@@H]1[C@H]2C=C[C@H]1[C@@H](c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@H]2C(=O)O 263606909 RKDKSNZPPNIPBB-BRBVVVGRSA-N 362.381 3.840 5 1 FHBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1NC(=O)OC(C)(C)C 587646849 LVSFXTAELAWPMY-UHFFFAOYSA-N 363.370 3.529 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587269302 AGZIMTKNNLKBOF-NSHDSACASA-N 366.299 3.612 5 1 FHBF C[n+]1c2ccccc2cc2[nH]c3c([N+](=O)[O-])cc(Br)cc3c21 28826854 QRKBKAALGQEIGT-UHFFFAOYSA-O 357.187 3.970 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2c(Cl)ncnc2[nH]1 587110208 WDNYRUFHKJDKIX-UHFFFAOYSA-N 357.679 3.524 5 1 FHBF CN(C)C(=O)c1ccc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2c1 587140316 YTXHVNXHKLEJOS-UHFFFAOYSA-N 362.748 3.632 5 1 FHBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2cc1[N+](=O)[O-] 587269399 MVUKNXXSVLOJQP-UHFFFAOYSA-N 367.365 3.955 5 1 FHBF CCOc1ccc2nccc([C@@H](O)C[N+]34CCC(CC3)[C@@H](CC)C4)c2c1 169334927 SGBOGAWOTFGXNC-SKYBIQSPSA-N 355.502 3.934 5 1 FHBF CN(C)C(=O)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 587047516 JQPRXVLQDFXKIU-YWEYNIOJSA-N 370.796 3.997 5 1 FHBF Cc1nc2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2cc1Br 587269808 HCCWIHLBODZKCF-UHFFFAOYSA-N 361.199 3.722 5 1 FHBF Cc1nc(C)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)s1 587011518 IDACDXPUHIPVFI-UHFFFAOYSA-N 367.228 3.898 5 1 FHBF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 103189617 YAVKAJJIQHDVQA-OAQYLSRUSA-N 374.400 3.895 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587421604 VAFPJAJGRMDLEU-UGSOOPFHSA-N 359.765 3.920 5 1 FHBF COc1ccc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587874490 CRRCDWHGBQJAGD-UHFFFAOYSA-N 369.308 3.595 5 1 FHBF Nc1ccc(/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587252059 UOQLJGZCJVSRFW-ZZXKWVIFSA-N 359.183 3.986 5 1 FHBF Cc1cc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2cc1[N+](=O)[O-] 587165037 KBTPCCOZWAHZOP-UHFFFAOYSA-N 351.341 3.830 5 1 FHBF COc1cc([N+](=O)[O-])cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587512186 LVBQTAYXOSJDCZ-KRWDZBQOSA-N 369.373 3.894 5 1 FHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@@H]1[C@@H]3O 14824815 CMFIDYCYVJWPPL-GCJKJVERSA-N 365.429 3.727 5 1 FHBF biogenic,in-vivo O=[N+]([O-])c1ccc(O[C@H](CCn2ccnc2)COc2ccccc2)cc1 45367440 SLZHPGVDYJQXGB-LJQANCHMSA-N 353.378 3.708 5 1 FHBF CCCCNc1ncc(C(=O)N[C@H](C)CC)c(-c2cccc([N+](=O)[O-])c2)n1 82135592 KWPHILWBMSGTMK-CYBMUJFWSA-N 371.441 3.792 5 1 FHBF Nc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1CC(=O)O 587249883 PHNKEAIQOAHDEA-UHFFFAOYSA-N 369.384 3.536 5 1 FHBF Cc1c(F)cccc1-c1cc(-c2nc3c(O)ncnc3[nH]2)cc([N+](=O)[O-])c1 587136087 BULIAHISXPOSTR-UHFFFAOYSA-N 365.324 3.748 5 1 FHBF COc1cc(/C=C2\SC(=O)NC2=O)ccc1Oc1ccccc1[N+](=O)[O-] 66075256 CRTRBRWOZKROSF-DHDCSXOGSA-N 372.358 3.720 5 1 FHBF CCOc1ccc(OCC)n1-c1cccc(Br)c1[N+](=O)[O-] 587937637 UDCSTPMYIYOMRW-UHFFFAOYSA-N 355.188 3.945 5 1 FHBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587931526 JZYLXJNVGOUSBY-VOJFVSQTSA-N 368.349 3.833 5 1 FHBF O=[N+]([O-])c1cncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c12 587074524 BDFPWLFKTCNNHO-AWEZNQCLSA-N 357.801 3.857 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccc4cccnc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587431753 RBLYXCBNVFJEJB-VBKZILBWSA-N 362.341 3.640 5 1 FHBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cc1O 587787251 SWFAVPWQCSJMGC-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF O=C(Nc1nc(Cl)c([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 49036251 CESRMPPLLXNQSF-UHFFFAOYSA-N 351.693 3.976 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O)c1[N+](=O)[O-])CC2=O 587472954 OUWQWVQBEJLGFE-LJQANCHMSA-N 357.362 3.839 5 1 FHBF O=C1c2ccccc2-c2cc(Cn3ccc([N+](=O)[O-])n3)nc3cccc1c23 587104793 JCIKHLPXDHEPRA-UHFFFAOYSA-N 356.341 3.599 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3cncc(C)c3[nH]2)c(C)c1[N+](=O)[O-] 587267119 FRJWLVXENNOYGS-UHFFFAOYSA-N 362.393 3.703 5 1 FHBF C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cccc([N+](=O)[O-])c2c1CCCO 587646938 NJKHYVCUCMDVKV-NSHDSACASA-N 363.414 3.587 5 1 FHBF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 963237149 HETOEHAWKNBHGO-QVKFZJNVSA-N 368.433 3.774 5 1 FHBF Oc1c(Cl)cc(I)c2nc3ccccc3nc12 653857940 IFUBLVSYZKOVHL-UHFFFAOYSA-N 356.550 3.747 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587159261 OGLWNHVYTDGHIN-UHFFFAOYSA-N 359.210 3.746 5 1 FHBF O=[N+]([O-])c1cn2c(n1)O[C@H](COCc1ccc(Oc3ccccc3)cc1)C2 1772625434 OYOIBWFFKOZQJZ-KRWDZBQOSA-N 367.361 3.561 5 1 FHBF Cc1ccc(COc2ccc(-c3cc(C(=O)O)no3)cc2[N+](=O)[O-])cc1 49803195 LBIBKIVEDOYCME-UHFFFAOYSA-N 354.318 3.835 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1[N+](=O)[O-])CC2=O 587473533 XCQNYNKMDCNTOZ-SFHVURJKSA-N 357.362 3.968 5 1 FHBF O=C1[C@H]2[C@@H]3C=C[C@@H](CCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 28359297 DPIBWBIMTOFSKN-QXUMQBBKSA-N 362.385 3.840 5 1 FHBF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646447 TWUAFCAUWGKGOJ-UHFFFAOYSA-N 360.272 3.973 5 1 FHBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccncc1[N+](=O)[O-] 587862946 MJQNRJJHCOTOJO-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc([N+](=O)[O-])ccc12 587647941 UVBKQFXFDZYYHX-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)[C@H](O)[C@H]1CCCN1C3 1609906 SBVBOLGVLBCFIL-XMSQKQJNSA-N 365.429 3.727 5 1 FHBF biogenic N=c1ncc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2)c[nH]1 587254906 SKCPIHHJNDVCCD-UHFFFAOYSA-N 366.768 3.661 5 1 FHBF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c1 587646951 NPSDGJMVZKJCKF-UHFFFAOYSA-N 355.350 3.654 5 1 FHBF Cc1ccc(CSc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 3015255 MRZRCUIJGZCNNH-UHFFFAOYSA-N 372.446 3.668 5 3 FHBF Fc1ccc2nc(NCCN3CCOCC3)c3c4ccccc4[nH]c3c2c1 45373714 GUQORKSFZZZBCL-UHFFFAOYSA-N 364.424 3.753 5 1 FHBF O=c1c2ccccc2oc2c(Cn3ccnc3)ccc(Br)c12 13861990 DPCAMTPMSZHJLT-UHFFFAOYSA-N 355.191 3.954 5 1 FHBF in-vivo Nc1nc2oc3cc(F)c(C4=CCCCC4)cc3c(=O)c2cc1C(=O)O 1857774479 VBHAIXUKUQJOCS-UHFFFAOYSA-N 354.337 3.718 5 1 FHBF COc1ccc2c(CN3CCC[C@@H]3CO)cc3cc4c(cc3c2c1)OCO4 28706169 MUGBUMZPPNMDIT-MRXNPFEDSA-N 365.429 3.687 5 1 FHBF Cc1cc(C)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc2c1 587117137 HKVDHTNXALXGLB-UHFFFAOYSA-N 353.304 3.660 5 1 FHBF CCNCCO[C@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473154277 GBTIFMWNNBFGKT-INIZCTEOSA-N 361.445 3.570 5 1 FHBF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587044325 ZWRHSOCUYUODDZ-LBPRGKRZSA-N 368.846 3.745 5 1 FHBF COc1ccc(CNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc1OC 82160342 OCPGIVUTNTYLTA-UHFFFAOYSA-N 366.377 3.681 5 1 FHBF COc1ccc2c(c1)[nH]c1c2c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 58576384 SBQSZWLXDLUEEG-UHFFFAOYSA-N 366.348 3.817 5 1 FHBF O=[N+]([O-])c1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586924140 IWYZSEXFSJUAFX-SREVYHEPSA-N 363.782 3.569 5 1 FHBF COc1ccc(F)cc1-c1cc(NCCc2ccc([N+](=O)[O-])cc2)ncn1 82161893 LIWKLHCGFGOGQO-UHFFFAOYSA-N 368.368 3.854 5 1 FHBF COCCOc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1[N+](=O)[O-] 587265289 OBLZOXUBWNMBFB-UHFFFAOYSA-N 365.748 3.956 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)OCC[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963106074 JNVQYGSOSPBSKF-VBKZILBWSA-N 354.381 3.781 5 1 FHBF NCc1ncc(S(=O)(=O)c2cc3ccccc3c3ccccc23)s1 1857567268 JDLUDSUYQHJMIM-UHFFFAOYSA-N 354.456 3.741 5 1 FHBF CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 6122398 HNUBEGYICBQZAF-JTQLQIEISA-N 373.434 3.522 5 1 FHBF COc1cc(-c2nc3cnc4ccccc4c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260812 GTALWJMSUWQUAB-UHFFFAOYSA-N 350.334 3.704 5 1 FHBF Cc1cc(Br)c2[nH]c([C@@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587267242 HMNAZMZITCHLJY-SECBINFHSA-N 364.203 3.656 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc3c(c2[nH]1)CCCC3 587269816 RBNVWHMRMYENBJ-UHFFFAOYSA-N 351.362 3.741 5 1 FHBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(F)cc1 587645892 NSEREMRNCMBOGX-UHFFFAOYSA-N 356.309 3.623 5 1 FHBF CC1(C)O[C@H]1Cc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 14682347 DDNQJNCZXTTZFX-INIZCTEOSA-N 352.342 3.824 5 1 FHBF biogenic CN1CCC=C(c2ccc(CN(C)Cc3ccc([N+](=O)[O-])cc3)cc2)C1 653801357 XJBNLBRREGJKMN-UHFFFAOYSA-N 351.450 3.946 5 1 FHBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])c2cc(OC)c(OC)cc2C[C@H](C)N1C 962640586 WWKMBPNDCHQVAI-NJSLBKSFSA-N 350.459 3.631 5 1 FHBF COc1ccc(/C=C(/c2ccc([N+](=O)[O-])cc2)c2nn[nH]n2)c2ccccc12 1857561369 SXFFBDXKSNRJKX-PDGQHHTCSA-N 373.372 3.859 5 1 FHBF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 53226763 SQRBULDMAYBTJT-QGZVFWFLSA-N 354.435 3.606 5 1 FHBF COC(=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269943 JPUCQEKRKCKZSM-UHFFFAOYSA-N 374.356 3.987 5 1 FHBF Cc1cc2[nH]c(-c3sc(Br)nc3C)nc2cc1[N+](=O)[O-] 587010449 ARYQZSJBNWQWDR-UHFFFAOYSA-N 353.201 3.974 5 1 FHBF CSc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1Cc1ccccc1 1857549904 UYFSQTMDXAINLU-UHFFFAOYSA-N 371.378 3.532 5 1 FHBF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1C 53226761 SQRBULDMAYBTJT-KRWDZBQOSA-N 354.435 3.606 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](COc1ccc(-c3ccc(F)cc3)cc1)C2 115608848 VCENEFJSXTYRJF-CYBMUJFWSA-N 369.352 3.685 5 1 FHBF Cc1cc(C(=O)Nc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1 28248777 BVKCTMDNQQEERN-UHFFFAOYSA-N 351.156 3.624 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587648888 NSTABHYMUORKKR-UHFFFAOYSA-N 364.317 3.830 5 1 FHBF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ncccc23)cc1 26843617 HAIUNJIJWSPHIP-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc([N+](=O)[O-])cc1 28761843 KKXPZEMNWUOZKU-UHFFFAOYSA-N 365.817 3.551 5 1 FHBF O=[N+]([O-])c1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1[N+](=O)[O-] 587018043 UNLRGBMHESXDCM-UHFFFAOYSA-N 371.334 3.687 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134541 MUGPBDITURTXRO-OWOJBTEDSA-N 356.210 3.732 5 1 FHBF CCOc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 653870722 LIBBFWKNRMLIKI-UHFFFAOYSA-N 359.363 3.962 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587473324 RTUXICSMJIQJDV-SFHVURJKSA-N 357.362 3.968 5 1 FHBF COc1cc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1[N+](=O)[O-] 587263296 QWHCVNOGZAKWON-UHFFFAOYSA-N 369.164 3.761 5 1 FHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587274870 VBDOLJOHHCHWQI-UHFFFAOYSA-N 363.377 3.603 5 1 FHBF O=[N+]([O-])c1cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2cc1Cl 587119421 XDTZWXPEODIAKS-UHFFFAOYSA-N 359.695 3.583 5 1 FHBF O=C1C[C@H](COc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512197 LVUKBKUUBYOROT-MRXNPFEDSA-N 353.374 3.886 5 1 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)(C)[C@@H]12 53246965 QFIKEMJSULRLJK-CTNGQTDRSA-O 352.458 3.811 5 1 FHBF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@H](C)[N+](=O)[O-] 587622571 CSKLIMSCMSIHOP-ZETCQYMHSA-N 351.204 3.577 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1[N+](=O)[O-] 587871501 JVCIJEZEXIOVHW-UHFFFAOYSA-N 369.352 3.879 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586916841 OYRCZFFXHWUODH-AUUYWEPGSA-N 351.362 3.688 5 1 FHBF COc1cc(OC[C@H]2CO2)cc2c1c(=O)c1cc3ccccc3cc1n2C 45299662 GTHUKXKFZVELCW-INIZCTEOSA-N 361.397 3.631 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1[N+](=O)[O-])CC2=O 587473532 XCQNYNKMDCNTOZ-GOSISDBHSA-N 357.362 3.968 5 1 FHBF COc1cc(OCc2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1[N+](=O)[O-] 587261503 CLRPIIDOEOIXNZ-UHFFFAOYSA-N 356.382 3.751 5 1 FHBF COCCOc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587264132 BCXQFGNSZADWPN-UHFFFAOYSA-N 371.393 3.951 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(CO)cc2[nH]1 587109830 OCNJKNMBFSGJGD-UHFFFAOYSA-N 351.284 3.573 5 1 FHBF Cc1cc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587041599 ZVYYXHXCFQZXKO-ZDUSSCGKSA-N 364.427 3.762 5 1 FHBF CCCCn1c(=O)c2c(O)cc(-c3cccs3)c(=O)n2c2ccccc21 205860799 AXOWSMAASMJMKU-UHFFFAOYSA-N 366.442 3.849 5 3 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 587648065 ZOLCNAOYALRZHM-UHFFFAOYSA-N 355.306 3.650 5 1 FHBF Cc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1[N+](=O)[O-] 587875120 NQADTCKBJBMTHO-SNVBAGLBSA-N 371.328 3.418 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586916843 OYRCZFFXHWUODH-IFXJQAMLSA-N 351.362 3.688 5 1 FHBF CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(CC)CC)cc1[N+](=O)[O-] 5499313 FKPLXECOYMPKKJ-UHFFFAOYSA-N 366.418 3.611 5 1 FHBF COc1ccc2c(CN3CCC[C@H](N)C3)cc3cc4c(cc3c2c1)OCO4 43078502 HYHOHXINLAKARI-INIZCTEOSA-N 364.445 3.653 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCN1CCCC1 45354300 ZZYHOOTVAZYOPS-UHFFFAOYSA-N 366.421 3.619 5 1 FHBF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 13151698 IVZWWWWEWLNVOI-RHMWETHNSA-N 369.377 3.730 5 1 FHBF CCCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])o2)s1 28569969 AFRXGWZXRFSTLU-UHFFFAOYSA-N 357.413 3.532 5 1 FHBF O=C(Nc1ccc([N+](=O)[O-])cc1)C(Cl)(C(F)(F)F)C(F)(F)F 68574204 NNVWFIYIIFATMQ-UHFFFAOYSA-N 350.602 3.636 5 1 FHBF biogenic O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586905269 ZZVPFPAWMQZMCF-SMDDNHRTSA-N 374.194 3.803 5 1 FHBF Nc1nc(Nc2ccc([N+](=O)[O-])cc2)ccc1C(=O)c1c(F)cccc1F 14945644 ODDFLNIDCVCSCG-UHFFFAOYSA-N 370.315 3.825 5 1 FHBF O=[N+]([O-])c1cccc(-c2nnc3n2N[C@@H](C=Cc2ccccc2)S3)c1 2356875744 HHOMCUMXDNWTCT-OAHLLOKOSA-N 351.391 3.542 5 1 FHBF COc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260882 KHLIZLQQDBIPOE-UHFFFAOYSA-N 368.271 3.569 5 1 FHBF C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13478348 BKZVCBUXFZAITG-GOSISDBHSA-N 368.324 3.824 5 3 FHBF Cc1cccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c12 586924490 ARGDUKZRGMTSIV-UHFFFAOYSA-N 365.798 3.503 5 1 FHBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587108538 ABLFARCWDWNBFC-UHFFFAOYSA-N 351.240 3.855 5 1 FHBF C[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276068 IQJQYRNAOOGCTI-ZDUSSCGKSA-N 363.377 3.856 5 1 FHBF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCc2ccc([N+](=O)[O-])cc21 963608367 KTQPRLZAUGRWOQ-YEJXKQKISA-N 368.433 3.726 5 1 FHBF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n1 587078882 CJMXFHQSBPWCEO-SSDOTTSWSA-N 364.749 3.867 5 1 FHBF Nc1nc2oc3cc(F)c(C4CCCCC4)cc3c(=O)c2cc1C(=O)O 1857765474 BDEHFOINSMLEAD-UHFFFAOYSA-N 356.353 3.808 5 1 FHBF CC(C)N1C(S)=N[C@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc21)OCO3 39290312 ZGYZNPKPZMQFAO-QGZVFWFLSA-N 371.418 3.927 5 1 FHBF Cc1ccc2c([N+](=O)[O-])cc(C(=O)N[C@@H](C)c3ccc(F)cc3)c(O)c2n1 40892734 TTXYMUMLBYJTSF-NSHDSACASA-N 369.352 3.787 5 1 FHBF O=[N+]([O-])c1cccnc1NCc1nc2c3cccnc3c3ncccc3c2[nH]1 587268656 IHXGOKBFAUDVAX-UHFFFAOYSA-N 371.360 3.575 5 1 FHBF CC1(C)O[C@@H]1Cc1cc2c(cc1O)oc(=O)c1c3ccc(O)cc3oc21 14682345 DDNQJNCZXTTZFX-MRXNPFEDSA-N 352.342 3.824 5 1 FHBF biogenic,in-vitro O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134304 LZANLVUBEOGKDK-UHFFFAOYSA-N 370.109 3.884 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587040955 KQJKFPFHLAYLPS-GOEBONIOSA-N 358.398 3.557 5 1 FHBF O=[N+]([O-])c1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587780958 NIFZCWRAVQYQDQ-DAXSKMNVSA-N 354.322 3.609 5 1 FHBF COc1ccc(-c2cc3nc(N(C)C[C@H](C)O)c4ccccc4c3nn2)cc1 28758026 PDVUVVRSLAJFCO-AWEZNQCLSA-N 374.444 3.671 5 1 FHBF c1c2c(cc3c1c1c(c4cc5c(cc43)OCO5)CN3CCC[C@H]3C1)OCO2 73295258 GDFCGBDOHRGMNY-LBPRGKRZSA-N 361.397 3.971 5 1 FHBF CN(C)CCN=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12 2382216040 JIQDFSUFVXNCII-JXMROGBWSA-N 362.433 3.709 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1OC(F)F)O2 587380849 BPWBQWGBCMJPPS-HNNXBMFYSA-N 364.304 3.793 5 1 FHBF Nc1nc2oc3cc(/C=C/C4CCCC4)ccc3c(=O)c2cc1C(=O)O 1857774722 RPCFCHGKANWILU-AATRIKPKSA-N 350.374 3.825 5 1 FHBF O=C1C=C[C@]2(C[C@@H](c3cccc([N+](=O)[O-])c3)O[C@@H](c3ccccc3)O2)O1 299833540 PVSRLIIIWZZXGG-UHOSZYNNSA-N 353.330 3.581 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cn2)N1 587751766 OOULDIBEPXYALY-GLEZIHRCSA-N 366.190 3.515 5 1 FHBF COc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1 100464124 GZJBSCBHENRIDX-UHFFFAOYSA-N 360.369 3.911 5 3 FHBF CCN(CC)CCn1nc2c3ccccc3n(C)c3c([N+](=O)[O-])ccc1c23 27102505 ABTJBSPHBLDLEK-UHFFFAOYSA-N 365.437 3.931 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccc4ncccc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587429991 FGXFFSVTTCYEOO-VBKZILBWSA-N 362.341 3.640 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(OC(F)(F)F)c2[nH]1 587268458 YRGCKBWZLWTLJE-UHFFFAOYSA-N 369.303 3.738 5 1 FHBF CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ncccc12 43068262 AUDVSBATFORCND-UHFFFAOYSA-N 366.852 3.814 5 1 FHBF COc1cc(CNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)cc(OC)c1 82160443 JPUAOWUDCMFEII-UHFFFAOYSA-N 366.377 3.681 5 1 FHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263060 JYCXRBHRKPAVQS-QNSHHTMESA-N 356.209 3.530 5 1 FHBF Cc1ccc([C@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586885350 BXJAZBFXSRKBCQ-QFYYESIMSA-N 356.338 3.525 5 1 FHBF CC(C)(SCC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 586958969 JJPQHGMFJXKXTD-UHFFFAOYSA-N 352.419 3.712 5 1 FHBF COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260956 MPNCXLJZDCCOLI-UHFFFAOYSA-N 371.246 3.712 5 1 FHBF COc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2n1 586979970 LLYQRDJKCQFUJO-UHFFFAOYSA-N 363.171 3.613 5 1 FHBF C[C@]12CC[C@@H]3c4ccc(OCCCO)c([N+](=O)[O-])c4CC[C@H]3[C@@H]1CCC2=O 5567424 UROCJSOQPSTRCB-WYSJICDVSA-N 373.449 3.781 5 3 FHBF CCCc1cc(=O)oc2c3c(c4cc([N+](=O)[O-])oc4c12)O[C@@H](C)CC3=O 169342993 SGROMJOCHFNDQC-QMMMGPOBSA-N 357.318 3.754 5 1 FHBF c1cc2cc(c1)Oc1ncnc(n1)Oc1cccc(c1)Oc1ncnc(n1)O2 64633415 BWFPWKRFDNNZMC-UHFFFAOYSA-N 374.316 3.539 5 1 FHBF in-vitro CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc([N+](=O)[O-])c(C)cc4[nH]1)(C3)C2 587950974 PLDZCKWQUKJXTM-LWYUSKRHSA-N 369.421 3.933 5 1 FHBF COC(=O)c1c(NCc2ccccc2)noc1-c1ccc([N+](=O)[O-])cc1 2382217594 XCZXFFARJYMUBB-UHFFFAOYSA-N 353.334 3.649 5 1 FHBF CCOC(=O)c1ccc(CSc2ccc([N+](=O)[O-])c3nonc23)cc1 299819782 CWAXMJFTWWSOPU-UHFFFAOYSA-N 359.363 3.600 5 1 FHBF C[C@H](NC(=O)CC(F)(F)F)c1nc2c3cccnc3c3ncccc3c2[nH]1 587094209 MZURSMOZPYVTRQ-VIFPVBQESA-N 373.338 3.789 5 1 FHBF CN(C)CCCN1c2ccc([N+](=O)[O-])cc2CCc2cccc([N+](=O)[O-])c21 5596817 DUJNTZJTNJYDCM-UHFFFAOYSA-N 370.409 3.691 5 1 FHBF O=C(CCN1CCCCC1)Nc1ccc2sc3ccccc3c(=O)c2n1 1644198 WNHDOFVMJQNDOF-UHFFFAOYSA-N 367.474 3.624 5 1 FHBF O=c1c2sc3ncc4nc[nH]c4c3c2ncn1-c1ccc(Cl)cc1 28827140 LDYVCAGANDILRN-UHFFFAOYSA-N 353.794 3.525 5 1 FHBF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82149820 XXMJOAXPZQKZPV-CHWSQXEVSA-N 371.441 3.791 5 1 FHBF Nc1ncc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587268362 SZPYYCLQRSKOIU-UHFFFAOYSA-N 357.679 3.788 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2cc1[N+](=O)[O-] 586887423 IANVLNQDOOTKDG-KZULUSFZSA-N 350.334 3.751 5 1 FHBF Cc1cnc2[nH]c(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)nc2c1 587267570 NPBJWMFHVALLPL-UHFFFAOYSA-N 362.393 3.703 5 1 FHBF COc1ccc(C=O)c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)c1OC 587786682 OKLJUHCRQFYVNO-UHFFFAOYSA-N 361.741 3.621 5 1 FHBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cccc([N+](=O)[O-])c12 587647392 GMQNZGQVPHVJFU-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF CCOC(=O)c1cc2cc(C)cc(C(=O)c3ccc([N+](=O)[O-])cc3)c2[nH]1 1650334 YGXALZXRWGUHEO-UHFFFAOYSA-N 352.346 3.792 5 1 FHBF O=C(OCCc1ccccn1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086374 LLBVYERISJXETB-UHFFFAOYSA-N 355.375 3.513 5 1 FHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2ccc3c(O)nc(O)nc3n2)s1 587564414 RSJZLXYANCXOLH-UHFFFAOYSA-N 366.358 3.740 5 1 FHBF O=[N+]([O-])c1cnc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587086745 DKNXFZPAFYGPLJ-UHFFFAOYSA-N 352.741 3.644 5 1 FHBF COc1cc(CCN(C)O)c2ccc3cc4c(cc3c2c1OC)OCO4 14765580 RRBNQGNYYACENK-UHFFFAOYSA-N 355.390 3.602 5 1 FHBF biogenic CN(C)CCNC(=O)c1cc2c3cc(Cl)ccc3[nH]c2c2ccncc12 43011556 STBPVOCFJLIBIC-UHFFFAOYSA-N 366.852 3.814 5 1 FHBF Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074737 WRMSUGVSXRIOFW-UHFFFAOYSA-N 368.784 3.740 5 1 FHBF CC(C)(C)OC(=O)N[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C1CCCC1 587224299 GZIUDUQDZUBHIY-CYBMUJFWSA-N 361.402 3.622 5 1 FHBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587149479 HGMHCGVNXLYWMT-ZETCQYMHSA-N 364.264 3.798 5 1 FHBF CN(C)CCN1C(=O)c2cccc3cc4c(Cl)cccc4c(c23)C1=O 27555286 KUXZEBZXIKQOOK-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF COc1cc2cc(CO)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 45498018 XEFRJVIYRIMGPI-UHFFFAOYSA-N 363.369 3.779 5 1 FHBF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645594 ZAONTZWFPNMWTP-UHFFFAOYSA-N 368.727 3.637 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1cc([N+](=O)[O-])cc4cccnc14)[C@@H](C2)C3=O 587432881 MCMJOFBYRXNALN-MGPUTAFESA-N 362.341 3.640 5 1 FHBF O=Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512279 WKQYOKCIDPSZHQ-IBGZPJMESA-N 351.358 3.993 5 1 FHBF C[C@H]1Cc2onc(-c3ccccc3[N+](=O)[O-])c2C(=O)N1C(=O)OC(C)(C)C 209982953 ULRUFFJGOHPWNR-JTQLQIEISA-N 373.365 3.572 5 3 FHBF Cc1[nH]cnc1Cn1ccc2cc(Br)c3ccccc3c2c1=O 584910 XZUOLTHNIWNNEZ-UHFFFAOYSA-N 368.234 3.997 5 1 FHBF O=[N+]([O-])c1cccnc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962995392 GBQHHRFEDPUJNR-GOSISDBHSA-N 352.419 3.594 5 1 FHBF CN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 1644317 KCXXIBBVMJMFOP-UHFFFAOYSA-N 361.206 3.727 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc([N+](=O)[O-])c1)O2 587388890 HNNUKHSIDWOKBV-LJQANCHMSA-N 363.373 3.983 5 1 FHBF COc1ccc(Nc2ccc([N+](=O)[O-])c3[nH]c(C(=O)O)cc23)cc1OC 103244224 RYSVHISRUPVCRG-UHFFFAOYSA-N 357.322 3.535 5 1 FHBF COc1oc([C@@H]2CC(=Cc3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 2356841637 XENAWSJFNWCPOG-INIZCTEOSA-N 357.362 3.718 5 1 FHBF COC(=O)c1cc(Cl)c2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2c1 587269917 JECDWBYYOVTBAI-UHFFFAOYSA-N 359.769 3.696 5 1 FHBF COc1cccc(C(=O)c2ccc(-c3nc4ncc([N+](=O)[O-])cc4[nH]3)cc2)c1 587933060 YPSVIAGZGHJYQN-UHFFFAOYSA-N 374.356 3.773 5 1 FHBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1cccc(Br)c1 299863201 OUUZIEDSZGRVAZ-UHFFFAOYSA-N 374.194 3.928 5 1 FHBF COc1ccc(NC(C)(C)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 587201152 IAGJXULGYSXZII-UHFFFAOYSA-N 371.353 3.735 5 1 FHBF C[C@@H](O)c1nc([N+](=O)[O-])c(Sc2c(Cl)cncc2Cl)s1 1772601735 VTDKHRYJIRAERL-SCSAIBSYSA-N 352.224 3.958 5 1 FHBF COc1cc2oc(=O)c3oc4c(ccc5occc54)c(=O)c3c2cc1OC 238751398 WXMXVJPRDCZLOV-UHFFFAOYSA-N 364.309 3.816 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586916145 KSDHGJNLLACAHD-DJJJIMSYSA-N 351.362 3.688 5 1 FHBF COc1ccc(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943445 BPTQXVJMIVUQCI-UHFFFAOYSA-N 359.151 3.613 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])o2)N1 587754454 YVPLKBQRXZSUKB-UOWDBTKRSA-N 355.163 3.713 5 1 FHBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc([N+](=O)[O-])c2[nH]1 587081169 WQEWCYZELRZUAS-LBPRGKRZSA-N 355.785 3.848 5 1 FHBF CCN(C)CCOC(=O)[C@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220568 NVIUSKRALLFOGH-MRXNPFEDSA-N 363.457 3.952 5 1 FHBF Cc1oc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268897 MWXZHLRPQKKLPE-UHFFFAOYSA-N 366.127 3.500 5 1 FHBF C[C@]1(c2cc([N+](=O)[O-])ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587512909 PQFAVOOBHOAPGI-HXUWFJFHSA-N 352.390 3.936 5 1 FHBF N[C@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587476 JSSHYLDCNVIQTK-LJQANCHMSA-N 363.417 3.996 5 1 FHBF O=c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(-c3cccc(Cl)c3)nn12 1857612696 WUFPNFMRODWMIA-UHFFFAOYSA-N 366.764 3.918 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])o2)N1 587751113 KTLUQBWBZOHPGG-JKYUHCHBSA-N 355.163 3.713 5 1 FHBF CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 84707335 GZXCWVMXCFFKTN-ZSOIEALJSA-N 350.396 3.773 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc(C(F)(F)F)cc2[nH]1 587270487 ZQQGUMNUEJWITP-UHFFFAOYSA-N 365.267 3.881 5 1 FHBF C[C@@]1(c2cc([N+](=O)[O-])ccc2N)CC(=O)c2ccc3c(c2O1)CCCC3 587512908 PQFAVOOBHOAPGI-FQEVSTJZSA-N 352.390 3.936 5 1 FHBF O=[N+]([O-])c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117717 IOHRCEBMFCLBGG-UHFFFAOYSA-N 351.288 3.612 5 1 FHBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577909 URRHIZUENRTESY-QKMWGZLOSA-N 371.389 3.948 5 1 FHBF O=[N+]([O-])c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587118725 NQYRHIVCEIMEMR-UHFFFAOYSA-N 351.288 3.612 5 1 FHBF O=C1NC[C@H](c2cc3ccc4ccccc4c3nc2O)Nc2ccccc21 1857750911 VBXAXAPDWAVMIR-LJQANCHMSA-N 355.397 3.990 5 1 FHBF O=c1c2ccccc2oc2c([N+](=O)[O-])ccc(NCCN3CCCCC3)c12 28528220 OPVMSYFVJPELGE-UHFFFAOYSA-N 367.405 3.752 5 1 FHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587270365 WLAOWUCETDXMNK-UHFFFAOYSA-N 361.764 3.926 5 1 FHBF O=C(O)c1cc(F)cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c12 587139921 STNUQONANGSSSC-UHFFFAOYSA-N 353.668 3.768 5 1 FHBF O=c1c2ccccc2n2c3nc4ccccc4c-3nnc2n1-c1ccccc1 101697619 MPRJQPOUOKIJON-UHFFFAOYSA-N 363.380 3.686 5 1 FHBF COc1ccc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 29339661 HAINJKODIXQCAK-FQEVSTJZSA-N 367.405 3.915 5 1 FHBF CCCOC(=O)CCSc1nnc(-c2ccc([N+](=O)[O-])s2)s1 28569962 IILSDICAPDEZBI-UHFFFAOYSA-N 359.454 3.610 5 1 FHBF COc1ccc2nc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)sc2c1 587035182 MVVCJXQPBUFWNU-UHFFFAOYSA-N 371.334 3.665 5 1 FHBF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647505 ZTCHVDIDIZCWRB-NSHDSACASA-N 363.414 3.851 5 1 FHBF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587645151 XNSCMBYQOPDCEH-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF CC(C)C[C@H](NC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 29340492 SBOCNTMJALJXQH-CQSZACIVSA-N 352.387 3.649 5 1 FHBF O=C(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)OCc1ccccc1 587782241 JYPCVVPERPIMRQ-UHFFFAOYSA-N 368.396 3.945 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1F 587152223 YACKLAQJLGDWJM-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2[N+](=O)[O-])N1 587751749 OMEMKEMDCZJBTA-GLEZIHRCSA-N 366.190 3.515 5 1 FHBF O=c1nc(N2CCOCC2)oc2c1cc(-c1ccsc1)c1ccccc12 1772604653 OAGCLFIDFNGSJU-UHFFFAOYSA-N 364.426 3.906 5 1 FHBF COc1cc(/C(=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)O)cc(OC)c1OC 71296501 XJURESJEPWDBSG-GFQQVXNGSA-N 359.378 3.542 5 1 FHBF Cc1cccc2/c(=N\C(=S)NC[C@@H]3CCCO3)c3ccccc3[nH]c12 45287974 BDEJUPNVDACVBV-AWEZNQCLSA-N 351.475 3.584 5 1 FHBF Cc1ccc2c([N+](=O)[O-])cc(C(=O)N[C@H](C)c3ccc(F)cc3)c(O)c2n1 40892737 TTXYMUMLBYJTSF-LLVKDONJSA-N 369.352 3.787 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434783 ZQCHRRKHYMMHMW-PKQAIAMASA-N 367.401 3.988 5 1 FHBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586973103 NSGFNNRJMGOSIH-HNNXBMFYSA-N 370.434 3.582 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903136 NPURDQVCCZZOFW-GXFFZTMASA-N 374.194 3.803 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])c(F)cc1Cl)O2 587382655 SXCAOCKWOHDQEC-HNNXBMFYSA-N 350.733 3.984 5 1 FHBF COc1cc2c3c(c1)O[C@]1(CCc4ccc([N+](=O)[O-])cc4CC1)[C@@H](C2)C3=O 587432306 JFJUCQYIPLSGMT-UWJYYQICSA-N 365.385 3.669 5 1 FHBF O=[N+]([O-])c1cc(-c2nnc(SCc3ccccc3)o2)cc([N+](=O)[O-])c1 1772593969 XMQMILJUTWWGAW-UHFFFAOYSA-N 358.335 3.845 5 1 FHBF COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 33607496 BVBSCSYCFCDVEU-UHFFFAOYSA-N 369.160 3.941 5 1 FHBF COc1cc2c3c(c1OC1CC1)-c1cc([N+](=O)[O-])ccc1C[C@@H]3N(C)CC2 1911573508 JICKVGGQCBOONV-KRWDZBQOSA-N 366.417 3.897 5 1 FHBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587075606 JIFGDJYMFGWFPU-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=NC3CCCCC3)oc12 1857541756 FSZAKQGMZCGDLW-UHFFFAOYSA-N 357.288 3.694 5 1 FHBF CC[N@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253639737 QEFMNEDYHHFZNB-WZONZLPQSA-N 368.453 3.623 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587268978 GCYOSTYTMOKWFY-UHFFFAOYSA-N 367.695 3.794 5 1 FHBF CN(C)CCCNC(=O)c1cc2c3ccccc3n(C)c2c2cccnc12 96921195 GXWMKBUNZCPLLO-UHFFFAOYSA-N 360.461 3.561 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3[nH]2)cc1F 587151180 QXBJQLVVLYAPQL-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF O=[N+]([O-])c1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Cl 587170503 AVQQMPFDVVGQMH-UHFFFAOYSA-N 363.732 3.721 5 1 FHBF O=C(OCCCCCn1ccc2cc([N+](=O)[O-])ccc21)c1cccnc1 13524818 UJZHQRYKYGSCGX-UHFFFAOYSA-N 353.378 3.972 5 1 FHBF C[C@@]1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978506 ODNSDCXUXSTFHQ-INIZCTEOSA-N 365.172 3.994 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587269771 GLPNUPRFFLLJFH-UHFFFAOYSA-N 352.741 3.644 5 1 FHBF COc1ccc(C=O)c2cc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)oc12 586903733 LXWOQOAOESZOEZ-UHFFFAOYSA-N 355.281 3.845 5 1 FHBF Fc1cccc(Nc2nc3cc(-c4nn[nH]n4)ccc3c3cnccc23)c1 199792731 XFANBHHKXISEHO-UHFFFAOYSA-N 357.352 3.846 5 1 FHBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 19536858 QFNZZSSQTCYLRO-PQMNFKMDSA-N 374.393 3.796 5 1 FHBF CCOC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1F 587645435 AZNJVLKMJSAJIO-UHFFFAOYSA-N 356.309 3.623 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2c1 587134545 MUGPBDITURTXRO-UPHRSURJSA-N 356.210 3.732 5 1 FHBF COC(=O)/C(=C(O)\C=C\c1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 102957040 GOBGJKGZRDBZMD-DUWBUDFISA-N 365.345 3.627 5 1 FHBF COc1ccc(Cn2c(=O)c3ccccc3c3nc4ccccn4c32)cc1 103232297 FQBICJMKIGUPQG-UHFFFAOYSA-N 355.397 3.859 5 1 FHBF in-vivo NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 1772625916 CSEGWCAWNGUXJO-UHFFFAOYSA-N 354.193 3.507 5 1 FHBF CCn1c(=O)c2cnc3c(C(C)C)cccc3c2n(C2CCCC2)c1=O 117800066 IWWGJHDCEUWDTE-UHFFFAOYSA-N 351.450 3.970 5 1 FHBF Cc1cc2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc2cc1[N+](=O)[O-] 587173869 BVKQSOQCAITPFG-CYBMUJFWSA-N 353.357 3.642 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(C(F)(F)F)c2[nH]1 587267616 BVTGAOOYOSXIGK-UHFFFAOYSA-N 353.304 3.858 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])o2)N1 587751116 KTLUQBWBZOHPGG-NXSYQRQQSA-N 355.163 3.713 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)O2 587390531 QYYAUJKVDAXZTN-VQIMIIECSA-N 368.433 3.998 5 1 FHBF CN(C)CCNC(=O)c1cc2c3cccc(Cl)c3[nH]c2c2ncccc12 43023036 KCQJQTRJLKBEKU-UHFFFAOYSA-N 366.852 3.814 5 1 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587649404 UNHVAMULSUSNRE-UHFFFAOYSA-N 364.317 3.830 5 1 FHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587270358 WIVKHWZYVKPDGP-UHFFFAOYSA-N 353.338 3.647 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2[N+](=O)[O-])N1 587749244 CZSNBYAJUSKNEC-ANRSDYALSA-N 366.190 3.515 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=NCc3ccccc3)oc12 1857605649 WWGOVOZWYPWOMY-UHFFFAOYSA-N 365.267 3.561 5 1 FHBF O=[N+]([O-])c1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 28640099 ZGCMTTQGRJYCEP-QGZVFWFLSA-N 351.410 3.548 5 1 FHBF O=C(N[C@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 22263337 AEFUBTJMIVBDEY-LJQANCHMSA-N 372.384 3.991 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120863 INBZGDCKJPHYLD-UHFFFAOYSA-N 365.193 3.899 5 1 FHBF COc1c(O)ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587511853 SVYZYLRWVWWPJP-KRWDZBQOSA-N 369.373 3.894 5 1 FHBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587264811 KHDUXKZWRSEJPW-JTQLQIEISA-N 367.192 3.726 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2[N+](=O)[O-])N1 587751747 OMEMKEMDCZJBTA-ANRSDYALSA-N 366.190 3.515 5 1 FHBF CCN(CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(NC2CCCC2)n1 64527606 FBGAQQMORSUXBQ-AWEZNQCLSA-N 364.494 3.662 5 1 FHBF COc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Cl 587263275 PQOCDIUHTGLROD-UHFFFAOYSA-N 363.757 3.721 5 1 FHBF O=C1CCC[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 586884303 MOAZOFBLWYQAGT-QMMMGPOBSA-N 352.188 3.850 5 1 FHBF COc1ccc2c(c1)c1sc3ccccc3c(=O)c1n2CCN(C)C 1857564316 MSLMELFHKWHXGG-UHFFFAOYSA-N 352.459 3.940 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3c(cc2[nH]1)OCO3 587110260 XWLPZXRMAHYDQW-UHFFFAOYSA-N 365.267 3.809 5 1 FHBF Cc1c(F)ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 587264960 KOCNZQVKDZJLAS-VIFPVBQESA-N 359.317 4.000 5 1 FHBF Cc1c(Br)cc2nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1C 587277323 SUESUQWGJQGBEU-VIFPVBQESA-N 364.203 3.656 5 1 FHBF O=C(O)c1cc([N+](=O)[O-])ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512883 PGVHNPNODARJER-GOSISDBHSA-N 367.357 3.878 5 1 FHBF C[C@]1(c2cc(N)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587512594 ZFUXVRRZNRWUEJ-HXUWFJFHSA-N 352.390 3.936 5 1 FHBF Cc1nc2c(s1)-c1nc(N(C)c3cccc([N+](=O)[O-])c3)ncc1CC2 45392226 VWRLUJJMDMLBIF-UHFFFAOYSA-N 353.407 3.683 5 1 FHBF O=C(c1nc2ncc([N+](=O)[O-])cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133291 NXAKSRCNBDHVQO-UHFFFAOYSA-N 355.112 3.543 5 1 FHBF O=[N+]([O-])c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109812 NXSJSHNEXLAZAM-UHFFFAOYSA-N 366.255 3.989 5 1 FHBF Cc1c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166556 WELKUZHTUFZDFO-UHFFFAOYSA-N 351.341 3.986 5 1 FHBF O=[N+]([O-])c1cccc(-c2nc3ccc(C4=N[C@H]5CCCC[C@@H]5N4)cc3[nH]2)c1 45166979 HAJHTEPGNVMPBP-HOTGVXAUSA-N 361.405 3.799 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587158253 BAVNBRAKULKYIP-UHFFFAOYSA-N 367.239 3.511 5 1 FHBF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646130 UERMFXLLUAMNAE-UHFFFAOYSA-N 356.309 3.628 5 1 FHBF COc1cc2c(O)c3c4c(cc(OC)c(OC)c4c2cc1OC)CCN3C 13434342 XTYGTYHSWAJTPX-UHFFFAOYSA-N 369.417 3.725 5 1 FHBF endogenous,in-man O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647354 WVELGROYSLOLPP-UHFFFAOYSA-N 353.334 3.546 5 1 FHBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cc([N+](=O)[O-])ccc12 587646897 ANTDNZQADDTGHJ-UHFFFAOYSA-N 370.321 3.554 5 1 FHBF CC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511017 CUTFVLKFHCJMJC-OAQYLSRUSA-N 365.385 3.923 5 1 FHBF Cc1nc(N[C@H](C)CCc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821436 DVCJORUELHLEOF-CYBMUJFWSA-N 366.425 3.621 5 1 FHBF O=[N+]([O-])c1ccc(O[C@@H](CCn2ccnc2)COc2ccccc2)c(F)c1 45339641 DPVBETBPHVVING-KRWDZBQOSA-N 371.368 3.847 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1[N+](=O)[O-] 587036639 IDQUNVPACXFTQW-ZDUSSCGKSA-N 362.392 3.820 5 1 FHBF O=[N+]([O-])c1cnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 587265070 LTJGJSSDQFVLRZ-UHFFFAOYSA-N 351.278 3.701 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587420104 GIYYMTSADWYMSQ-SCLBCKFNSA-N 359.765 3.920 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2=O 587468694 CRRRQTPOWDSGBW-MRXNPFEDSA-N 372.333 3.868 5 1 FHBF Cc1c(C)c2ccc(OCc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2oc1=O 13835595 DQTHWPVVIBFRCG-UHFFFAOYSA-N 370.317 3.805 5 1 FHBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCCCCC1 169719449 DTMVWMPJOCXANI-IRXDYDNUSA-N 373.409 3.702 5 1 FHBF Cn1c(=O)c2c3oc4ccccc4oc3c3[nH]c4ccc(O)cc4c3c2c1=O 58506782 VBPGSPHOJZRUFH-UHFFFAOYSA-N 372.336 3.731 5 1 FHBF Cc1c(Br)ccc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587275672 FQWARZNKHLUGMA-QMMMGPOBSA-N 364.203 3.542 5 1 FHBF CCOc1cc(CCNC)c2c(ccc3ccc(OC)c(O)c32)c1OC 1611787 RQDCJQSGOURUEY-UHFFFAOYSA-N 355.434 3.876 5 1 FHBF C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)c1cccc([N+](=O)[O-])c1 45315282 ASSRDMLQZFOGMT-ZDUSSCGKSA-N 360.377 3.897 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586916350 LPNSJDAYLAOHRW-HXPMCKFVSA-N 369.352 3.827 5 1 FHBF COc1cc(CCN(C)C)c2ccc3cc4c(c5c3c2c1OC5)OCO4 14765613 QWQBCZNSORFDRC-UHFFFAOYSA-N 351.402 3.727 5 1 FHBF biogenic O=C(Cn1ccnc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1 473114027 LLEMLWPKQLKPMB-UHFFFAOYSA-N 372.768 3.876 5 1 FHBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 587149686 PSOKIVWHYVHKSX-UHFFFAOYSA-N 355.304 3.817 5 1 FHBF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cc1 587226909 FVQMEYODUFXBPU-UHFFFAOYSA-N 374.784 3.767 5 1 FHBF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587175099 PMFKHUMBMNNGSA-GFCCVEGCSA-N 373.775 3.987 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc(CCc3cccc(O)c3)[nH]c12 586897089 QTFXQDWEEDKGBS-UHFFFAOYSA-N 362.183 3.724 5 1 FHBF Cc1sc2ncn3c(=O)c4cc(Br)ccc4nc3c2c1C 45340373 WIHRGSHMIDZUBC-UHFFFAOYSA-N 360.236 3.837 5 1 FHBF CO[C@@]1(C)C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1 1857744546 CHMLOTQPCCPPLR-FOIQADDNSA-N 367.357 3.978 5 1 FHBF O=[N+]([O-])c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007750 OQJHMVHMMIPJFY-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc([N+](=O)[O-])c1O)CC2=O 587466006 LEHGCOWYNUIGTG-OAHLLOKOSA-N 361.325 3.804 5 1 FHBF CCCCNc1nc(NCCCC)nc(Nc2ccc([N+](=O)[O-])cc2)n1 28131666 DNVLKAHOSUXPHQ-UHFFFAOYSA-N 359.434 3.947 5 1 FHBF COc1oc(=O)c2cc(NCc3ccccc3[N+](=O)[O-])ccc2c1Cl 95591345 PJECIQUKJXDVRE-UHFFFAOYSA-N 360.753 3.975 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587265743 WWEFSNAVUBMPBQ-UHFFFAOYSA-N 366.255 3.989 5 1 FHBF COC(=O)c1cccc2nc3cc(C(=O)c4ccccc4OC)ccc3nc12 103221444 FNJDMGFVVWAENX-UHFFFAOYSA-N 372.380 3.809 5 1 FHBF N=C(N)SCc1cccc2cc3cccc(CSC(=N)N)c3nc12 84689488 DXUPGDWGOABSDH-UHFFFAOYSA-N 355.492 3.641 5 1 FHBF COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[N+]1(C)C 13372498 NSJUXGXDQOILOO-ROUUACIJSA-N 370.469 3.692 5 1 FHBF O=C(CNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NC1CCCCC1 82222823 QMKLAURUUJBMGF-UHFFFAOYSA-N 360.439 3.579 5 1 FHBF O=C(NCCc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 653847666 UCXWDHBTRFJZDR-UHFFFAOYSA-N 353.403 3.691 5 1 FHBF CCc1nc2ccc(O)c3c2c(c1C[C@H](C)[N+](=O)[O-])-c1ccccc1C3=O 586987877 UHKSZMCLOIRWLF-NSHDSACASA-N 362.385 3.922 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)O2 587390530 QYYAUJKVDAXZTN-QFBILLFUSA-N 368.433 3.998 5 1 FHBF Cc1cc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277168 PXRCETHULUTZHG-SECBINFHSA-N 364.203 3.542 5 1 FHBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1O)C[C@H]1CCCN1C3 85949648 WPOKYTPPLXAILU-GFCCVEGCSA-N 365.429 3.942 5 1 FHBF biogenic COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587419103 JKSIBBRSBZZWID-KSSFIOAISA-N 359.765 3.920 5 1 FHBF O=[N+]([O-])c1ccc2oc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)nc2c1 963107092 OMHZUXHHIHEXHU-FZKQIMNGSA-N 353.353 3.985 5 1 FHBF C[N+]12CCC(CC1)[C@H](Cc1nc(-c3cccc(C(F)(F)F)c3)no1)C2 1857587123 XQEGZCSWKYOCGC-AGLIBSGDSA-N 352.380 3.784 5 1 FHBF CCCN(CCC)[C@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 73158413 PHYCQDDAIMNIIQ-QFIPXVFZSA-N 361.550 3.806 5 1 FHBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1 587147076 DSKLTSBHXANTLR-UHFFFAOYSA-N 373.294 3.956 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccc4cccc([N+](=O)[O-])c4n1)[C@@H](C2)C3=O 587431025 LOAXNAHYEBKPAS-RNODOKPDSA-N 362.341 3.640 5 1 FHBF O=c1[nH]c2ccccc2c(=O)oc(Cc2ccccc2)nc2ccccc12 1663609 YXSMRSMZKUSATF-UHFFFAOYSA-N 356.381 3.745 5 1 FHBF C[C@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1 38298766 LXLNTNGUPHKWBA-JTQLQIEISA-N 371.780 3.790 5 1 FHBF O=C1CCc2c1c1cc(Br)ccc1n1c(=O)c3ccccc3n21 1911581274 OIIIXAUBBDOQEJ-UHFFFAOYSA-N 367.202 3.597 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O 587434476 WBJAAHQPPHBGKP-DJJJIMSYSA-N 351.314 3.838 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006118 CVIZKRUSOUTFDC-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)c3ccccn3)[nH]c12 587089500 SNUCNWQSJXJDAS-UHFFFAOYSA-N 369.125 3.769 5 1 FHBF O=C(c1ccncc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772599903 VYHQHSOLRMXEKB-UHFFFAOYSA-N 368.440 3.745 5 1 FHBF CCc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 587117417 JENRRVNKDZWPQF-UHFFFAOYSA-N 353.304 3.606 5 1 FHBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587044735 QLNSETAKNARXPL-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587646729 IXWCTIWMCOJDLR-UHFFFAOYSA-N 367.361 3.814 5 1 FHBF CCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587391307 UUTKTGQFNQZLNM-IBGZPJMESA-N 356.378 3.765 5 1 FHBF CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc([N+](=O)[O-])s1 73169668 DFBXSDPQWBQIAF-CQSZACIVSA-N 351.771 3.549 5 1 FHBF Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(=O)c1ccc(Cl)cc1 38846332 PRFKSICCNXOJLV-UHFFFAOYSA-N 362.817 3.626 5 1 FHBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccc(O)cc3)o2)cc([N+](=O)[O-])c1 653849887 KRACHWSKHIEGOM-UHFFFAOYSA-N 374.334 3.551 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587270406 NZACXSHNIAYWLL-UHFFFAOYSA-N 352.741 3.595 5 1 FHBF Cc1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1[N+](=O)[O-] 587006849 QILCSNCFDKUWHZ-UHFFFAOYSA-N 372.182 3.857 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1[N+](=O)[O-] 587952057 XLWGLHNUNYQVPY-UHFFFAOYSA-N 354.322 3.978 5 1 FHBF COCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 35970113 BKQDZLPFUJAGLW-UHFFFAOYSA-N 352.498 3.570 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586915679 GPLSMKSUQCIRAE-XOBRGWDASA-N 365.389 3.996 5 1 FHBF CCC(=O)N[C@@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1OC 38142068 MVSDRWFMCCQNRB-MRXNPFEDSA-N 371.418 3.829 5 3 FHBF Cc1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1[N+](=O)[O-] 587085026 MQZBPMLZNFWISM-UHFFFAOYSA-N 372.816 3.607 5 1 FHBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cc(Nc3ccccc3)cc12 299863345 LABLRWADBTXOFO-UHFFFAOYSA-N 369.333 3.535 5 1 FHBF CCCc1nc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)nn1-c1ccccc1F 587154570 DVBRRAZELFXWDT-UHFFFAOYSA-N 366.356 3.810 5 1 FHBF CC(C)(C)c1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1 587091284 DAVHUZSXKUXIPQ-UHFFFAOYSA-N 368.319 3.589 5 1 FHBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586964127 VPEDZNNTJDGHSQ-ZDUSSCGKSA-N 359.411 3.827 5 1 FHBF O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2c1ccc1c2CCCC1 587512422 NRBKXFFXUOMJBF-QGZVFWFLSA-N 367.357 3.909 5 1 FHBF C[C@H]1CCCC[C@@H]1NC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957367 HRFVYMUPNLUVES-LRDDRELGSA-N 369.852 3.810 5 1 FHBF O=c1c2ccc(O)cc2oc2cc(OCCCN3CCCCC3)ccc12 71316689 NJDMBAAEWNYXNF-UHFFFAOYSA-N 353.418 3.907 5 1 FHBF Cc1ccc(OC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])n1 73220850 CMBVRPHTZDABBE-UHFFFAOYSA-N 357.149 3.589 5 1 FHBF Cc1cc(Br)cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267247 HPPPSVOILCXIQO-SECBINFHSA-N 364.203 3.656 5 1 FHBF CCC(=O)C[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(O)oc2ccccc2c1=O 101559396 MKMNPHPDTRVODA-INIZCTEOSA-N 367.357 3.908 5 1 FHBF CCN(CC)CCOc1ccc2c(=O)c3cc(F)c(OC)cc3[nH]c2c1 1857546040 PQTGEGFAHVYMGL-UHFFFAOYSA-N 358.413 3.550 5 1 FHBF Nc1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1F 587139423 IVXVAZOOICNNEA-UHFFFAOYSA-N 351.135 3.622 5 1 FHBF C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875903 VBXKTDFLLLOFRM-SNVBAGLBSA-N 369.308 3.811 5 1 FHBF C[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(Cl)cn1 587078809 BPSCIXVWOQGOMH-LURJTMIESA-N 370.594 3.693 5 1 FHBF NCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 1772634035 UIKHOANLMNGINX-UHFFFAOYSA-N 354.193 3.507 5 1 FHBF COc1cc(OCc2nc3ccc4ncccc4c3[nH]2)ccc1[N+](=O)[O-] 587262047 MWJZZRZZQRGHBV-UHFFFAOYSA-N 350.334 3.607 5 1 FHBF COc1cc(-c2ccc3c(c2)Nc2ncccc2NC3=O)ccc1[N+](=O)[O-] 89469213 QDAUJRLQJQOMAV-UHFFFAOYSA-N 362.345 3.975 5 1 FHBF CCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587431275 DBZGFUHDLJAETI-VLIAUNLRSA-N 369.373 3.665 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587110346 ZXLCXELZOBLAIB-UHFFFAOYSA-N 366.255 3.989 5 1 FHBF CCCCc1nc2ccccc2n1Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 26282167 DJWBQMJYLVKFQE-UHFFFAOYSA-N 370.365 3.949 5 1 FHBF Nc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66112431 GPAFJYDMDLWXAO-UHFFFAOYSA-N 365.780 3.855 5 1 FHBF CC(C)(O)CCc1c(O)ccc2c1oc(=O)c1c3ccc(O)cc3oc21 2356713218 BWYQHLSVBXSHPS-UHFFFAOYSA-N 354.358 3.807 5 1 FHBF Cc1cc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] 587233661 VQVUGRXQHSQQMP-RYUDHWBXSA-N 360.414 3.940 5 1 FHBF Nc1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1F 587139721 RSFHTTZNTVGIJG-UHFFFAOYSA-N 351.135 3.622 5 1 FHBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C(=O)O)cccc12 587638481 QNGAHODXXCGOFM-UHFFFAOYSA-N 354.318 3.618 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(F)c2[nH]1 587262610 HDHFZIUTTAANSM-JTQLQIEISA-N 373.340 3.961 5 1 FHBF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(F)cc([N+](=O)[O-])c1 963058971 RMGOEZSTKWYBHA-SFHVURJKSA-N 353.353 3.526 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2[N+](=O)[O-])N1 587751503 NCOURNBDFKVCKO-DFKRKDTASA-N 357.223 3.537 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])c(Cl)s1)[C@@H](C2)C3=O 587448991 ABALCGAEBXTOEC-XXFAHNHDSA-N 365.794 3.981 5 1 FHBF CCOc1ccc2nccc([C@@H](O)C[N+]34CCC(CC3)[C@H](CC)C4)c2c1 169334932 SGBOGAWOTFGXNC-VELBBBEJSA-N 355.502 3.934 5 1 FHBF O=C(COc1ccc([N+](=O)[O-])cc1F)n1nc2cc1Oc1ccc(F)cc1-2 587873659 GPWVWDFYYZXZGP-UHFFFAOYSA-N 373.271 3.561 5 1 FHBF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 5488197 RECNITXDQPJVBJ-INIZCTEOSA-N 357.797 3.536 5 3 FHBF Cc1oc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc1[N+](=O)[O-] 587268952 OJBOCVLUMVFCLV-UHFFFAOYSA-N 367.115 3.710 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1[N+](=O)[O-])CC2=O 587468087 AOOQMXUMGGZZIM-SFHVURJKSA-N 357.362 3.968 5 1 FHBF COc1cc(O)cc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587932075 KPTAWNRJFHAOCC-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc([N+](=O)[O-])c1 587871444 HJFFRLSWCTYHNM-UHFFFAOYSA-N 355.325 3.685 5 1 FHBF COCCOc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1[N+](=O)[O-] 587265373 PTXSLEWSWFGESU-UHFFFAOYSA-N 364.361 3.712 5 1 FHBF C[N+]1(C[C@@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 101644916 UOBMQJGLFUHOEX-ZKVZURMCSA-N 366.481 3.717 5 1 FHBF C[C@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@H](C)N1 27519839 MLOKWTVQPPKSAR-HOTGVXAUSA-N 366.465 3.775 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cncc(C)c2[nH]1 587264348 QRATVXSFHPDHPX-LLVKDONJSA-N 370.365 3.526 5 1 FHBF CCn1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)cn1 587645470 WEKWIOOJZQGIQX-UHFFFAOYSA-N 352.272 3.705 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587267131 FSICXANYEVVSJG-ZETCQYMHSA-N 357.267 3.743 5 1 FHBF CO[C@@]1(C)C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1 1857744548 CHMLOTQPCCPPLR-MGPUTAFESA-N 367.357 3.978 5 1 FHBF COc1cccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1O 587786822 MXMLBJPTDOMMJG-UHFFFAOYSA-N 364.155 3.615 5 1 FHBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577902 URRHIZUENRTESY-ASUYLVSUSA-N 371.389 3.948 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017203 HYROZVCNJMPNJN-UHFFFAOYSA-N 358.770 3.705 5 1 FHBF Cc1ncsc1CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587026395 CVFVHUIBRMMFLZ-UHFFFAOYSA-N 367.228 3.784 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587150169 LAHJHWLWGZKXRL-UHFFFAOYSA-N 356.235 3.603 5 1 FHBF CC[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 6119460 HNUBEGYICBQZAF-SNVBAGLBSA-N 373.434 3.522 5 1 FHBF O=c1c2ccccc2n(CCCN2CCOCC2)c2ccc(Cl)cc12 29037559 XMVVROGGOLLYTE-UHFFFAOYSA-N 356.853 3.530 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587268434 XRYBGDKPDRHOHH-UHFFFAOYSA-N 355.185 3.541 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160389 CDMQNBXQWBQCNY-UHFFFAOYSA-N 372.747 3.570 5 1 FHBF O=C1CCC[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 586884192 LFZCOWSXRIEGNU-QMMMGPOBSA-N 352.188 3.850 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587431800 GTOBEHVMKRMOPK-RNODOKPDSA-N 369.373 3.583 5 1 FHBF O=Cc1c(-c2ccc(Br)c([N+](=O)[O-])c2)nc2sccn12 73140407 OFPVHNNCGDOBRT-UHFFFAOYSA-N 352.169 3.546 5 1 FHBF O=C(c1nc2cc(C(F)(F)F)cc([N+](=O)[O-])c2s1)N1CCCCC1 653795167 UEHYFRYOGXPKTM-UHFFFAOYSA-N 359.329 3.849 5 1 FHBF COc1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587265972 VEZSHLRYPAULIK-VIFPVBQESA-N 357.326 3.561 5 1 FHBF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] 103186670 KHLZJMZQFWBCDK-OAQYLSRUSA-N 374.400 3.895 5 1 FHBF CC[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc([N+](=O)[O-])cc1C 587875113 NMDUJYZLYOMISR-CYBMUJFWSA-N 371.328 3.500 5 1 FHBF COc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260799 FZKJSHQGNUJODJ-UHFFFAOYSA-N 351.721 3.948 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 587268317 QOQIJJIVCJODSK-UHFFFAOYSA-N 355.732 3.771 5 1 FHBF O=[N+]([O-])c1cccc(CCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587269383 BRBMDHQFTAOGGD-UHFFFAOYSA-N 351.341 3.581 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C=O)c([N+](=O)[O-])c1)CC2=O 587472383 IKEGFKSLFWDLKW-SFHVURJKSA-N 355.346 3.772 5 1 FHBF COc1ccc2c(c1OC)[C@](C)(c1cc([N+](=O)[O-])ccc1F)N(C)[C@H](C)C2 962617226 AXBWQOGTHAUZMX-ODXCJYRJSA-N 374.412 3.891 5 1 FHBF O=[N+]([O-])c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126901 HUDWBYHVJOAJDX-UHFFFAOYSA-N 363.255 3.913 5 1 FHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1Cl 587645122 WNCLFIIBUCDLHL-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF CCCCn1c(=O)c2ccc(N)cc2c2cnc3cc4c(cc3c21)OCO4 40943031 NFTKEFVYCQIQFW-UHFFFAOYSA-N 361.401 3.814 5 1 FHBF COc1cc(-c2nnc(SCc3ccccc3[N+](=O)[O-])o2)ccc1O 84713956 AOGOXFLJKGGKEZ-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](CC[N+](=O)[O-])(c1ccccc1)CC2=O 587472763 MQEVYFKBJUJEGB-HXUWFJFHSA-N 355.390 3.872 5 1 FHBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587094396 RGKVCFVEHAEHIE-SECBINFHSA-N 373.338 3.789 5 1 FHBF O=[N+]([O-])c1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl 587048712 DNAAJZOPNQKOKZ-RQOWECAXSA-N 365.827 3.662 5 1 FHBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1cccc2ccccc12 28604279 CYVVGNPPQRGECE-UHFFFAOYSA-N 372.402 3.699 5 1 FHBF COc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc(OC)c1OC 587279056 DZWJOGRUZBHVBE-UHFFFAOYSA-N 357.318 3.598 5 1 FHBF NC(=O)c1cccc2c1nc(Nc1c(F)cccc1F)c1ccncc12 73159430 WHSNSKLEZGKYLB-UHFFFAOYSA-N 350.328 3.904 5 1 FHBF Cc1c(Br)ccc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267199 GOUPQRFSSNCAHF-VIFPVBQESA-N 364.203 3.656 5 1 FHBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577911 URRHIZUENRTESY-YXKFXFPPSA-N 371.389 3.948 5 1 FHBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587931522 JZYLXJNVGOUSBY-ADLMAVQZSA-N 368.349 3.833 5 1 FHBF COc1cc2c3c(c1)O[C@]1(CCCc4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587434388 UIQKFNCNYFOFJS-JXFKEZNVSA-N 351.358 3.583 5 1 FHBF CCCc1c(O)ccc2c1O[C@](COC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472960 OWFDUUMRKRWCCU-HXUWFJFHSA-N 371.389 3.760 5 1 FHBF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587644401 AWPYOCQYEZVIFK-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF CCCN(CCC)[C@@](C)(C(=O)OC1CC[N+](C)(C)CC1)c1ccccc1 73158417 PHYCQDDAIMNIIQ-JOCHJYFZSA-N 361.550 3.806 5 1 FHBF C[N+]1(C)[C@@H]2CC[C@@H]1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 101603782 QBBZFMTXELSEFR-WOJBJXKFSA-N 364.465 3.601 5 1 FHBF O=C(NCCc1nc(-c2cccc(F)c2)cs1)c1cccc([N+](=O)[O-])c1 653840578 BFGFMSPGKYZEQP-UHFFFAOYSA-N 371.393 3.830 5 1 FHBF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)s1 587023716 VBBGMCQUWNLSCJ-UHFFFAOYSA-N 361.383 3.942 5 1 FHBF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2n1 587264959 KNTJIDHTXFPJRH-UHFFFAOYSA-N 364.317 3.580 5 1 FHBF Cc1ccc(NC(=O)CSCCc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586969992 FFYWNIOGLGPBKN-UHFFFAOYSA-N 370.434 3.694 5 1 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587649115 QKARHBLFBJYZTP-AWEZNQCLSA-N 361.398 3.693 5 1 FHBF COC(=O)c1cccc(NC(=O)c2cccc3c([N+](=O)[O-])cccc23)c1 621476522 OKSTYOJWDIQWSR-UHFFFAOYSA-N 350.330 3.787 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(C=O)cc1[N+](=O)[O-])CC2=O 587468864 DYQUITNVRRNCSY-SFHVURJKSA-N 355.346 3.772 5 1 FHBF O=C(O)Cc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587962116 RVSCUCCBTSIMFG-UHFFFAOYSA-N 368.396 3.877 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587268342 SCOAIFOMPTUKHL-UHFFFAOYSA-N 355.185 3.541 5 1 FHBF CC1(C)CN(NC(=O)c2cccc(F)c2)c2cc([N+](=O)[O-])ccc2S1 13525487 SZDQXECDVMDMPQ-UHFFFAOYSA-N 361.398 3.770 5 1 FHBF COc1cc2c(ccc3c(CCN(C)C)cc(OC)c(OC)c32)cc1O 14593231 WZQIARLAZRQQKI-UHFFFAOYSA-N 355.434 3.829 5 1 FHBF biogenic O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586905268 ZZVPFPAWMQZMCF-RISCZKNCSA-N 374.194 3.803 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587001913 ANQQZZKOISLGBT-UHFFFAOYSA-N 358.155 3.777 5 1 FHBF O=[N+]([O-])c1cc2nc(CSCc3ccsc3)[nH]c2cc1[N+](=O)[O-] 587025023 DZPGIUZJJYFFAZ-UHFFFAOYSA-N 350.381 3.874 5 1 FHBF CC(C)c1nn(C)c2c1[C@]1(CCCCc3ccc([N+](=O)[O-])cc31)NCC2 962916104 IVUNAIPJOYDWGG-HXUWFJFHSA-N 354.454 3.567 5 1 FHBF Cc1ccc([C@H](NCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 28474239 NFHMMHNGSWMASR-HXUWFJFHSA-N 350.422 3.787 5 1 FHBF O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc(Cl)cc3)CC2)cc1 95564271 JBAOEFBNUKIFDO-UHFFFAOYSA-N 373.884 3.651 5 1 FHBF O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ncc([N+](=O)[O-])s1 653882992 BYPLYYGQYPRAPQ-UHFFFAOYSA-N 371.374 3.861 5 1 FHBF Cn1cc(C(=O)O)c(=O)c2cc3cc(F)c(NC4CCCCC4)cc3nc21 6523747 KGHFRVZGMZYRAN-UHFFFAOYSA-N 369.396 3.669 5 1 FHBF CC(=O)C[C@@H](c1ccccc1[N+](=O)[O-])c1c(O)oc2ccccc2c1=O 101714260 URSHHHHZAHPNEC-AWEZNQCLSA-N 353.330 3.518 5 1 FHBF COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)c(O)c1 84633552 NTBVVOZCDZFZAP-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1cccc(Cl)c1 587644966 SGYKUAUDHUWLGI-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF O=[N+]([O-])c1ccc(N2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c(F)c1 34840890 PMIWDOREMKSHLN-CQSZACIVSA-N 355.373 3.691 5 1 FHBF Cc1c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cnn1-c1ccc(Cl)cc1 587075072 AUPRQLPHPZVUTF-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])o2)N1 587751117 KTLUQBWBZOHPGG-UOWDBTKRSA-N 355.163 3.713 5 1 FHBF Cc1c(F)cccc1-c1cc(-c2nc3c(N)ncnc3[nH]2)cc([N+](=O)[O-])c1 587137268 WRJCAUNYIZDDET-UHFFFAOYSA-N 364.340 3.625 5 1 FHBF CC[C@@H](C)OC(=O)C1=C(C)NC(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 299858362 QXXZQMQZGXHZGR-MEBBXXQBSA-N 363.439 3.574 5 1 FHBF O=C(/C=C/c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1ccc(F)cc1 587166988 MBADOCJUAYOPKM-AATRIKPKSA-N 360.732 3.916 5 1 FHBF Cn1ccc2ccc3c4[nH]c5cccc(F)c5c4c4c(c3c21)C(=O)NC4=O 13534911 VWCCQPBWKWXSFQ-UHFFFAOYSA-N 357.344 3.989 5 1 FHBF CC[N+](C)(CC)CCN1CCN(c2ccccc2)c2ccccc2C1=O 33854395 UYTCCACRSFLCPG-UHFFFAOYSA-N 352.502 3.767 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c12 586903138 NPURDQVCCZZOFW-MFKMUULPSA-N 374.194 3.803 5 1 FHBF COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1OC 587136666 IDBKRGLPUKYBON-UHFFFAOYSA-N 374.372 3.572 5 1 FHBF CCN(CC)CCNc1cc2[nH]cnc2c2oc3ccccc3c(=O)c12 35324331 NKYHIXZIDOSUHN-UHFFFAOYSA-N 350.422 3.576 5 1 FHBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1cccc2ccccc12 72175503 LFAMAZNGBGZHCL-PLSXKVAHSA-N 365.389 3.898 5 1 FHBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc([N+](=O)[O-])ccc12 587647419 HQNKHPFPBGUDCQ-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF Cc1nc([N+](=O)[O-])cn1C[C@@H](CNc1ccccc1)Nc1ccccc1 103196556 UHPDYNPCIOCOOG-GOSISDBHSA-N 351.410 3.693 5 1 FHBF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 142086521 DSTVTXPNESVTKK-SWLSCSKDSA-N 371.397 3.539 5 1 FHBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(C(N)=O)c2[nH]1 586973527 PAPCCELXNJJIIL-UHFFFAOYSA-N 370.434 3.985 5 1 FHBF COc1cc(/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)O)cc(OC)c1OC 71316018 MRYPBVPOPVOXOJ-RGZVIEDOSA-N 359.378 3.542 5 1 FHBF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645767 CWSNIQXGRFVRNB-UHFFFAOYSA-N 364.279 3.871 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](COc1ccc([N+](=O)[O-])cc1)CC2=O 587470199 JIVICXHZIUYJNP-AWEZNQCLSA-N 357.362 3.666 5 1 FHBF COC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513270 RELAPXVYMZEJQD-NRFANRHFSA-N 367.401 3.981 5 1 FHBF Cc1cc(C)c2c(c1)c(=O)c1ccccc1n2CCCCN1CCOCC1 1772613495 XONLDSYHSCDNKT-UHFFFAOYSA-N 364.489 3.884 5 1 FHBF CCOc1ccc2nccc([C@H](O)C[N+]34CCC(CC3)[C@H](CC)C4)c2c1 169334936 SGBOGAWOTFGXNC-XRMUZZJESA-N 355.502 3.934 5 1 FHBF Cc1nc(-c2ccccc2)sc1Cc1nc2cncc([N+](=O)[O-])c2[nH]1 587011691 MHXOXLDPLQGOOT-UHFFFAOYSA-N 351.391 3.889 5 1 FHBF CCS(=O)(=O)NCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 586943485 BBZOAAUPGSDKOX-UHFFFAOYSA-N 367.474 3.741 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccccc2[nH]1 587263345 LOLVBSCNJXNKCI-LLVKDONJSA-N 355.350 3.822 5 1 FHBF CC(C)(C)c1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1 587268764 DMWXKRIAENQCRG-UHFFFAOYSA-N 354.366 3.555 5 1 FHBF CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)O[C@@H]1c1ccc([N+](=O)[O-])o1 169348074 UGCRQZXOKSNMSR-QGZVFWFLSA-N 357.366 3.724 5 1 FHBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2cccc([N+](=O)[O-])c2C1 587470557 LBMYMYSRNRXAKQ-FQEVSTJZSA-N 353.374 3.756 5 1 FHBF CCN(C)c1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174923 USBNOJACJWFQNY-UHFFFAOYSA-N 353.382 3.780 5 1 FHBF C[C@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 653730358 XWUXQUAUOXSMQO-LJQANCHMSA-N 367.361 3.814 5 1 FHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587273716 KRXRBWOEZVRUCU-NSHDSACASA-N 373.376 3.568 5 1 FHBF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647504 ZTCHVDIDIZCWRB-LLVKDONJSA-N 363.414 3.851 5 1 FHBF O=c1oc2cccc(OCCCCOc3ccccc3)c2c(O)c1[N+](=O)[O-] 169337530 LBFDCKLOLKNGHT-UHFFFAOYSA-N 371.345 3.645 5 1 FHBF O=[N+]([O-])c1ccc(-c2nc3cc(C4=N[C@@H]5CCCC[C@H]5N4)ccc3[nH]2)cc1 45167151 SHHZQPHPVJSYPX-HZPDHXFCSA-N 361.405 3.799 5 1 FHBF Nc1cc(C(=O)O)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587251622 KCKFMHHYMDSLEW-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF CCOc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CC(=O)O)cc1F 587645878 NFSVNCOQWKXDMX-UHFFFAOYSA-N 358.325 3.908 5 1 FHBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587114273 RTNINYVIGCYPMK-NSHDSACASA-N 368.290 3.872 5 1 FHBF C[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(Cl)cn1 587080444 VLSPCLUIEAZVGK-LURJTMIESA-N 370.594 3.693 5 1 FHBF Nc1ncc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1[N+](=O)[O-] 587267597 AYNGWGBFTCAPAE-UHFFFAOYSA-N 361.361 3.694 5 1 FHBF O=[N+]([O-])c1cccc([C@]2(CO)NCCc3cc(-c4ccccc4)ccc32)c1 962669137 RVXFKXKKRRCCKZ-QFIPXVFZSA-N 360.413 3.643 5 1 FHBF O=[N+]([O-])c1cnc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c1 587075497 FRKXIHVGVGYSJS-UHFFFAOYSA-N 367.752 3.954 5 1 FHBF CC1(C)COc2c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cccc21 586912507 UYTRXMULXGHRBH-UHFFFAOYSA-N 354.322 3.716 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc([N+](=O)[O-])ccc1N)CC2=O 587468673 CNMBRDABBSAUJS-LJQANCHMSA-N 356.378 3.716 5 1 FHBF O=[N+]([O-])c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119801 FUGHTCQLAQYFOJ-UHFFFAOYSA-N 365.315 3.614 5 1 FHBF O=[N+]([O-])c1ccc([C@@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)cc1 963340294 GLCGYFYLSCWGPM-OAQYLSRUSA-N 364.376 3.877 5 1 FHBF CC[N@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253639730 QEFMNEDYHHFZNB-FDDCHVKYSA-N 368.453 3.623 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)cccc1[N+](=O)[O-])[C@@H](C2)C3=O 587419379 CRZPGBWTSWCRIH-VOJFVSQTSA-N 359.765 3.920 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(O)cc2[nH]1 587263374 MCMUYACIJORAEN-SNVBAGLBSA-N 371.349 3.528 5 1 FHBF O=[N+]([O-])c1c(NCc2cc(F)ccc2C(F)(F)F)ccc2nonc12 95598007 RSKYCBGNMSQPJA-UHFFFAOYSA-N 356.235 3.901 5 1 FHBF Cc1cc([N+](=O)[O-])nn1Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105332 YRIDVKAVUIODAN-UHFFFAOYSA-N 370.368 3.908 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 587158755 HZFBWOXLFDLGAP-UHFFFAOYSA-N 356.235 3.603 5 1 FHBF Cc1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1[N+](=O)[O-] 587177825 BEJGZRRZXOOGBH-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF COc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260793 FONACJSIHAQQAH-UHFFFAOYSA-N 351.721 3.948 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1[N+](=O)[O-] 587151268 GXEGSMJKEHXZEU-RKDXNWHRSA-N 360.276 3.929 5 1 FHBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587048279 HVXLUSAYHNTMLV-UHFFFAOYSA-N 359.773 3.781 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013269 RBQZPLVCXOPNGQ-UHFFFAOYSA-N 366.200 3.630 5 1 FHBF O=[N+]([O-])c1cccnc1Oc1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963340739 HRADCZYVHRTSKB-LJQANCHMSA-N 363.373 3.723 5 1 FHBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3C2)cc1C(F)(F)F 169718596 LJBWEBKKYMAFTF-HTQZYQBOSA-N 352.268 3.956 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc([N+](=O)[O-])c14)[C@@H](C2)C3=O 587430645 KKSDCJPNIXBQJA-WLRWDXFRSA-N 350.330 3.573 5 1 FHBF O=c1c2ccc(OCCCN3CCCCC3)cc2oc2cccc(O)c12 40891540 GGINHSAPWWIGPJ-UHFFFAOYSA-N 353.418 3.907 5 1 FHBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587788010 YUYRJLFXPWDZDV-NWDGAFQWSA-N 355.325 3.554 5 1 FHBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1OC 587269035 HZLCENSHZNZANZ-UHFFFAOYSA-N 368.393 3.756 5 1 FHBF Cc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1 587874588 FVBBBEZQMZWALO-UHFFFAOYSA-N 369.308 3.731 5 1 FHBF O=[N+]([O-])c1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 587044165 QNUQNTYWTMYHCC-UHFFFAOYSA-N 374.447 3.924 5 1 FHBF C[C@]1(c2nnc(-c3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 12726925 CLQLTFAXTJVZKB-GOSISDBHSA-N 350.334 3.685 5 3 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1[N+](=O)[O-])O2 587388772 GMTKHWXMXTUXII-IBGZPJMESA-N 363.373 3.983 5 1 FHBF Cc1cc(Br)c2[nH]c([C@@H](C)Cn3cc([N+](=O)[O-])cn3)nc2c1 587277575 YTAYPFJIZRYUPR-VIFPVBQESA-N 364.203 3.542 5 1 FHBF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644395 ANCOIXZKBORXFE-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF O=C(c1cc([N+](=O)[O-])c(F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280168 MGSOGYDBNVMVFQ-UHFFFAOYSA-N 366.207 3.898 5 1 FHBF O=C1[C@H]2C3CCC(CC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 12504475 DEJXHCDDTLTVNB-RQRATOPWSA-N 350.374 3.674 5 1 FHBF in-vivo CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccccc1[N+](=O)[O-] 587638897 XJUJIBYIZDYSJO-UHFFFAOYSA-N 368.345 3.547 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)c2ccccc2C1=O 587649048 OMFBIGHHBMYIEK-UHFFFAOYSA-N 363.373 3.613 5 1 FHBF COc1ccc2c(c1OC)[C@@H](c1ccc([N+](=O)[O-])cc1C)N(C)[C@H](C)C2 962632623 PDIMJPIMQPGZBK-BFUOFWGJSA-N 356.422 3.886 5 1 FHBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102225449 WFCTUWCTLULDLZ-UHFFFAOYSA-N 373.319 3.623 5 1 FHBF CC(C)Oc1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270311 VHUIKYJJZARMMG-UHFFFAOYSA-N 364.365 3.506 5 1 FHBF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587052993 XHQANQJUXCDMAA-SNVBAGLBSA-N 367.192 3.726 5 1 FHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(F)ccc([N+](=O)[O-])c1F 963638467 UATUSONTYCGGDY-DYBLOJMWSA-N 364.348 3.514 5 1 FHBF CCCCOc1ccc(NC(=O)Nc2c([N+]#N)c(C)nn2C)c([N+](=O)[O-])c1 95577210 UYLSCSTVNDLVFL-UHFFFAOYSA-O 374.381 3.944 5 1 FHBF COCCNc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1[N+](=O)[O-] 587264775 JKAHWZPMLMDOKM-UHFFFAOYSA-N 363.377 3.745 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587268008 VOLMHJMLRZGKNY-ZETCQYMHSA-N 357.267 3.743 5 1 FHBF O=C(N[C@@H](c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccccc1 22263332 AEFUBTJMIVBDEY-IBGZPJMESA-N 372.384 3.991 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2[N+](=O)[O-])N1 587746136 JGLTUXOTDSVCRH-CLAHSXSESA-N 366.190 3.515 5 1 FHBF Cc1cc(Cl)cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587268803 ASOAPTXDRMJTSL-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF COc1cc2oc3c(OC)ccc(O)c3c(=O)c2c(O)c1CC=C(C)C 14763061 GRYVOCRJTSCVJS-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF endogenous,in-man COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc([N+](=O)[O-])ccc12 587646275 MQIRXVOQQUHOQA-UHFFFAOYSA-N 365.267 3.944 5 1 FHBF C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277172 PYSXRLDMUBBJIO-LURJTMIESA-N 370.594 3.693 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc([N+](=O)[O-])cc1 587871672 MTJBNSUOYDCAIX-UHFFFAOYSA-N 369.352 3.879 5 1 FHBF O=C(O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270947 XULUCMNHEYXZPV-UHFFFAOYSA-N 360.329 3.898 5 1 FHBF CCOc1ccc(C(=O)CN2[CH]C=CC=C2c2ccccn2)cc1[N+](=O)[O-] 2356861028 CWIWLFMQPNKYCM-UHFFFAOYSA-N 364.381 3.646 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587337607 BRVMVPKPRSGXFF-GGPKGHCWSA-N 371.364 3.848 5 1 FHBF COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CN(C)C)cc1OC 587646484 BPMXUINTURYHTB-UHFFFAOYSA-N 355.394 3.822 5 1 FHBF Cc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)Nc1ccc(N(C)C)cc1 1857600032 YFXWHCJIYKHOJW-UHFFFAOYSA-N 366.377 3.877 5 1 FHBF Cc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1[N+](=O)[O-] 587076373 RJBCVEKYQFEKPP-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)nccc2[nH]1 587263326 LJAKHENEWGFYRZ-NSHDSACASA-N 370.365 3.526 5 1 FHBF C[C@@H]1[C@H]2C=C[C@H]1[C@@H](c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@@H]2C(=O)O 263606912 RKDKSNZPPNIPBB-YEQJEROESA-N 362.381 3.840 5 1 FHBF C[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276067 IQJQYRNAOOGCTI-CYBMUJFWSA-N 363.377 3.856 5 1 FHBF CC(C)C[C@@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1C(N)=O 962701430 ATIIVMYIKYYVNT-GOSISDBHSA-N 359.451 3.883 5 1 FHBF O=C(NC1CCCCCC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 6473309 JRUQTROZLDSUPW-UHFFFAOYSA-N 369.852 3.954 5 1 FHBF O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 40393649 YXKOPUFAIUHLSE-UHFFFAOYSA-N 372.431 3.844 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1C(=O)O)CC2=O 587472358 HETJIUHRRWUVNC-KRWDZBQOSA-N 371.345 3.658 5 1 FHBF O=C1[C@H]2[C@@H]3C=C[C@H](CCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 101027475 DPIBWBIMTOFSKN-BIPCEHGGSA-N 362.385 3.840 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C=O)cc1[N+](=O)[O-])CC2=O 587468863 DYQUITNVRRNCSY-GOSISDBHSA-N 355.346 3.772 5 1 FHBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587788011 YUYRJLFXPWDZDV-RYUDHWBXSA-N 355.325 3.554 5 1 FHBF CN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1cc(F)c(F)cc12 1772625110 UXYOXCFOKGSCEY-UHFFFAOYSA-O 355.412 3.551 5 1 FHBF CN(C)CCNc1nc2c3ccncc3ccc2c2cc3c(cc12)OCO3 71294923 LJWBBFQDMXCIMF-UHFFFAOYSA-N 360.417 3.638 5 1 FHBF CC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)O[C@H]1c1ccc([N+](=O)[O-])o1 169348075 UGCRQZXOKSNMSR-KRWDZBQOSA-N 357.366 3.724 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2[N+](=O)[O-])N1 587749215 CTPDMSHPJPVLJU-DDHOLCJHSA-N 357.223 3.537 5 1 FHBF Cc1c(-c2nc3c(Cl)ncnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980227 SNFUJNZEEVEPKK-UHFFFAOYSA-N 368.578 3.652 5 1 FHBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N@@+](C)([O-])[C@@H]1N2C 261101085 GHYFEILIYSGWHS-ZCVJKFOLSA-N 367.449 3.988 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587043725 LOUHMSRHQPKBFH-UHFFFAOYSA-N 374.447 3.924 5 1 FHBF O=C1c2ccc(F)cc2C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1772633844 HZAPBHCJZQBKNX-UHFFFAOYSA-N 369.333 3.658 5 1 FHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 587925847 QXVCLXDSRUOZDF-UHFFFAOYSA-N 359.357 3.803 5 1 FHBF COc1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)nn1-c1ccccc1F 587155282 DAKBAMRNNOSTJX-UHFFFAOYSA-N 371.303 3.611 5 1 FHBF CCn1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)cn1 587645320 POVWRNYWRLIHGM-UHFFFAOYSA-N 352.272 3.705 5 1 FHBF Cc1cccc(C(=O)n2ncc3cc([N+](=O)[O-])c(Br)cc32)c1 1857570125 NWBPRYKKEBUZJM-UHFFFAOYSA-N 360.167 3.704 5 1 FHBF COc1cc2c3c(c4cc(O)ccc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 66252340 YXBZQEWWZUMHRQ-PGRDOPGGSA-N 365.429 3.727 5 1 FHBF O=C1C[C@@H](COc2ccc([N+](=O)[O-])cc2)Oc2c1ccc1c2CCCC1 587512196 LVUKBKUUBYOROT-INIZCTEOSA-N 353.374 3.886 5 1 FHBF C[n+]1c2ccc(Cl)cc2cc2[nH]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3c21 28826847 OFOAAUONWKQBFF-UHFFFAOYSA-O 357.733 3.769 5 1 FHBF O=C(c1ccccc1Br)n1ccnc1-c1ccc([N+](=O)[O-])cc1 43015894 BEQFNMYGAIJWOI-UHFFFAOYSA-N 372.178 3.909 5 1 FHBF NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 473152933 XKYITFDJLMPWLY-UHFFFAOYSA-N 368.414 3.500 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)cc(F)c2[nH]1 587265123 NCSVYEBTEOKXSY-ZETCQYMHSA-N 363.280 3.831 5 1 FHBF COCCNc1ccc(-c2nc3cc(OC)c(C)cc3[nH]2)cc1[N+](=O)[O-] 587262512 VOXLCRARFYKMIK-UHFFFAOYSA-N 356.382 3.513 5 1 FHBF O=[N+]([O-])c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995993 MXICIWRKTKCFJR-UHFFFAOYSA-N 361.199 3.888 5 1 FHBF O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587646082 SRYUUPAPLORGCH-UHFFFAOYSA-N 371.324 3.686 5 1 FHBF Cc1cc2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2cc1[N+](=O)[O-] 587173874 KPSPZNOQSVJWLC-SFHVURJKSA-N 355.325 3.547 5 1 FHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587274860 UWNBJVYKBBOKCL-UHFFFAOYSA-N 363.377 3.603 5 1 FHBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1[N+](=O)[O-] 587647618 KHQFXNKNQMXAEV-UHFFFAOYSA-N 369.333 3.757 5 1 FHBF CN(C)CCNC(=O)c1cccc2cc3cc(C(F)(F)F)ccc3nc12 29560505 MNPWKPCYPVCEGS-UHFFFAOYSA-N 361.367 3.698 5 1 FHBF N[C@H](N=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270248 KWUFXVIZXKDXDC-GOSISDBHSA-N 374.360 3.924 5 1 FHBF O=Cc1ccc(OCc2occc2-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 586901772 ZTTBYZKNPWCWFB-UHFFFAOYSA-N 364.317 3.518 5 1 FHBF O=c1nc(N2CCOCC2)oc2c1cc(-c1ccccc1)c1ccccc12 1772637535 FJPPSMOUWQJSDJ-UHFFFAOYSA-N 358.397 3.845 5 1 FHBF COc1ccc2cc([C@@H](c3ccc([N+](=O)[O-])cc3)n3cncn3)oc2c1 13680631 YXCBVWXENGIHRM-GOSISDBHSA-N 350.334 3.579 5 1 FHBF CC[N+]1(C)CC[C@@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 31853067 YSWUASFXPBRSMW-UMBAGBCYSA-N 352.498 3.860 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)c([N+](=O)[O-])c1 587265979 YRWZIFBGKSIQGP-UHFFFAOYSA-N 350.693 3.763 5 1 FHBF COc1ccc2c(=O)c3c(O)cc4c(c3oc2c1OC)C(C)(C)[C@@H](C)O4 238734322 DLXKBRSCEHIVLC-SECBINFHSA-N 356.374 3.728 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(F)cnc(Cl)c3[nH]2)c1 587262117 NCEWFAIWEHKJBB-UHFFFAOYSA-N 350.737 3.589 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586903139 NPURDQVCCZZOFW-ZWNOBZJWSA-N 374.194 3.803 5 1 FHBF CCCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73142333 MFKUTMHSVQIMSM-KRWDZBQOSA-N 359.407 3.848 5 1 FHBF O=c1nc(N2CCOCC2)oc2c1cc(-c1cccs1)c1ccccc12 1772605915 HSEPORVJFYXAGD-UHFFFAOYSA-N 364.426 3.906 5 1 FHBF COC(=O)c1c(C)n2c3ccccc3c(=O)n2c2cc3ccccc3cc12 1911573175 FKHCUNQUNSQHQK-UHFFFAOYSA-N 356.381 3.954 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F 587040956 KQJKFPFHLAYLPS-HOCLYGCPSA-N 358.398 3.557 5 1 FHBF COc1cc2c(cc1OC)Oc1c(OC)ccc3c1[C@H](C2)[N+](C)([O-])CC3 13412138 IQHCYCSHXVCTTI-YXWRBFHGSA-N 357.406 3.602 5 1 FHBF Nc1cc(C(=O)O)ccc1Cc1nc2c3cccnc3c3ncccc3c2[nH]1 587249316 HACHXGFPVYVMFX-UHFFFAOYSA-N 369.384 3.531 5 1 FHBF COc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)NC3=O 13535025 UOJGFXJJJQZLMH-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF COc1ccc2c(CN3CCC(N)CC3)cc3cc4c(cc3c2c1)OCO4 43121620 ZSRWEZQDWWRQGT-UHFFFAOYSA-N 364.445 3.653 5 1 FHBF O=[N+]([O-])c1ccc2nc(CNc3c([N+](=O)[O-])ccc4ncccc34)[nH]c2c1 1857656980 IZZFRZLQBPKKPX-UHFFFAOYSA-N 364.321 3.540 5 1 FHBF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645238 LWSMUSXJATVIPN-UHFFFAOYSA-N 352.215 3.907 5 1 FHBF O=[N+]([O-])c1c(Br)cccc1/N=c1\ssnc1Cl 66156458 BCBIJQMMXLMHSB-FLIBITNWSA-N 352.622 3.761 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cncc(Cl)c2[nH]1 587267291 WODNETCWWNWEFJ-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF Cc1ccc(NC(=O)CSCCc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 586970649 NNGXQLDIVZSNAI-UHFFFAOYSA-N 370.434 3.694 5 1 FHBF COc1cc2c3[nH]c4ccccc4c3c3c(c2c2c1ccn2C)C(=O)NC3=O 13535029 AYOCKYMYJCCYAP-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF C[N+]1(C)CCC[C@@H]1[C@@H]1C[S@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40429304 VPWKHNIBDCHPNN-IZZGNVEXSA-N 362.559 3.806 5 1 FHBF O=[N+]([O-])c1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1[N+](=O)[O-] 587084126 GUROGYCEBHYMBV-UHFFFAOYSA-N 359.729 3.508 5 1 FHBF O=C1NC(=O)c2c1ccc(Sc1c(Cl)cccc1Cl)c2[N+](=O)[O-] 40762962 XVZVQNLKWWURAP-UHFFFAOYSA-N 369.185 3.936 5 1 FHBF O=C1C=C[C@]2(C[C@@H](c3ccccc3)O[C@@H](c3cccc([N+](=O)[O-])c3)O2)O1 299825278 FJGFEAPOXANJBL-UHOSZYNNSA-N 353.330 3.581 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](C[N+](=O)[O-])C2)[C@H]1c1ccc(F)cc1 587341556 ZBKZYGVBRMAAEA-OPURJYLOSA-N 371.364 3.706 5 1 FHBF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c1C 587645253 MSXHMEHUQOYRHA-UHFFFAOYSA-N 366.299 3.851 5 1 FHBF COc1ccc2c([nH]1)c(CCNC(=O)c1ccco1)c1c3ncccc3cn21 66166061 WIMLBKFZRMRSHL-UHFFFAOYSA-N 374.400 3.543 5 1 FHBF in-vitro Nc1cc(C(=O)O)ccc1Cc1nc2cc3nc4ccccc4nc3cc2[nH]1 587250250 REUGIBRUHZGMGW-UHFFFAOYSA-N 369.384 3.531 5 1 FHBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587194907 CUIAGRQJFYSZPK-SNVBAGLBSA-N 355.354 3.597 5 1 FHBF CCn1ncc(Br)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280041 YYQWWJNADOGESL-UHFFFAOYSA-N 364.155 3.551 5 1 FHBF COc1cc2c3c(c1)O[C@](Cc1ccccc1[N+](=O)[O-])(C1CC1)[C@@H](C2)C3=O 587431512 FVOSOQNQXDNUMN-HRAATJIYSA-N 365.385 3.742 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc([N+](=O)[O-])c(C)c1 587871673 MUPICRSYWMDWQI-UHFFFAOYSA-N 369.352 3.993 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c([N+](=O)[O-])c1 587265021 RFYDYZFZBGQZFY-UHFFFAOYSA-N 368.136 3.672 5 1 FHBF CC[C@@]12CCN(CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1Oc1c(O)cccc12 38141959 KYYKQUNJBFUAAR-FPOVZHCZSA-N 368.433 3.658 5 1 FHBF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 43019849 WKLDWDGZYNMKJX-UHFFFAOYSA-N 368.418 3.820 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)cc([N+](=O)[O-])c1O)CC2=O 587473246 RPMSCZFDXZEIOL-KRWDZBQOSA-N 373.361 3.674 5 1 FHBF CC(C)(SCc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)O 586958905 HZYGPDKOGUUSEY-UHFFFAOYSA-N 352.419 3.756 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1F 587148857 DHXHKNWPDSJCBO-UHFFFAOYSA-N 366.692 3.751 5 1 FHBF CC[N+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 35982933 QEFMNEDYHHFZNB-FKSKYRLFSA-N 368.453 3.623 5 1 FHBF CC[C@H](C)n1cc(Cl)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n1 587078883 CJMXFHQSBPWCEO-ZETCQYMHSA-N 364.749 3.867 5 1 FHBF O=C(COc1cccc(-c2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1 653878749 DYJILIKMPMUQGO-UHFFFAOYSA-N 355.375 3.736 5 1 FHBF COc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)o2)ccc1O 84671625 UVMYBOBKRPFLHF-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587007890 UXTGPQOXBSWADB-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF O=C(Nc1nc2ccc(-c3ccccc3)cn2n1)c1cccc([N+](=O)[O-])c1 1857535447 JWIJQLVTAMOOQX-UHFFFAOYSA-N 359.345 3.557 5 1 FHBF COc1oc(=O)c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2c1Cl 95590604 ULNCTAURFSREKN-UHFFFAOYSA-N 360.753 3.975 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(F)c(F)c2[nH]1 587264953 KNTDTELXSAGJIP-ZETCQYMHSA-N 363.280 3.831 5 1 FHBF Cc1cc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2cc1[N+](=O)[O-] 586997749 UEOYVXAOWXVNPZ-CQSZACIVSA-N 362.183 3.624 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cn2)N1 587754252 XSZIMTIJWKCSIB-GLEZIHRCSA-N 366.190 3.515 5 1 FHBF CCCc1cc(=O)oc2c3c(c4cc([N+](=O)[O-])oc4c12)O[C@H](C)CC3=O 169342992 SGROMJOCHFNDQC-MRVPVSSYSA-N 357.318 3.754 5 1 FHBF COc1cc(OC)c2c(c1)c(=O)n(C)c1c3cc4c(cc3ccc21)OCO4 13480067 ZFSCVHUREHECBR-UHFFFAOYSA-N 363.369 3.591 5 1 FHBF biogenic COc1cc2c(c(OC)c1)[C@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 40568021 DUDPPDFOSUBURN-SFHVURJKSA-N 372.485 3.637 5 1 FHBF CC(C)Oc1ccc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2c1 587268990 GJZZNUZMLZDZGL-UHFFFAOYSA-N 355.350 3.650 5 1 FHBF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc([N+](=O)[O-])cc2[nH]1 587067332 VAIXAQSPGCHGNV-UHFFFAOYSA-N 361.741 3.525 5 1 FHBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@H]1NCCc2ccc(O)cc21 963340038 FGTXSEVALAMXQC-INIZCTEOSA-N 363.211 3.606 5 1 FHBF CCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@H](O)C1 72317696 YDGQYKBAQLQULF-LJQANCHMSA-N 367.445 3.888 5 1 FHBF C[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275928 HRACWAQWRMTWLW-CYBMUJFWSA-N 363.377 3.856 5 1 FHBF C[C@@](O)(CSc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 28089031 ZUNVZNROSSUOPE-MRXNPFEDSA-N 366.826 3.730 5 1 FHBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587931524 JZYLXJNVGOUSBY-BBATYDOGSA-N 368.349 3.833 5 1 FHBF CC[C@@H](C)OC(=O)C1=C(C)NC(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 299858358 QXXZQMQZGXHZGR-BMIGLBTASA-N 363.439 3.574 5 1 FHBF Cc1cccc([C@@H](NCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 28466239 VSOSTTBAOBHXAS-FQEVSTJZSA-N 350.422 3.787 5 1 FHBF O=C(O)c1ccccc1C(=O)c1ccc(Nc2nccs2)c([N+](=O)[O-])c1 1911575055 YHJGUBXPAPNOAA-UHFFFAOYSA-N 369.358 3.724 5 1 FHBF O=C(Nc1nc(-c2c(F)cc(F)cc2F)cs1)c1ccc([N+](=O)[O-])o1 653864073 RUICZGBXWSVPMF-UHFFFAOYSA-N 369.280 3.981 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c([N+](=O)[O-])c1 587263514 BCAMQULLLQYIGS-UHFFFAOYSA-N 370.218 3.527 5 1 FHBF CCN(CC)CCn1[nH]c2c3ccccc3nc3c([N+](=O)[O-])ccc1c32 27101210 HLSHMAIJSGZIPE-UHFFFAOYSA-N 351.410 3.921 5 1 FHBF Cc1c(Br)ccc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267198 GOUPQRFSSNCAHF-SECBINFHSA-N 364.203 3.656 5 1 FHBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587149475 HGMHCGVNXLYWMT-SSDOTTSWSA-N 364.264 3.798 5 1 FHBF COc1ccc(Br)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1O 1857645964 NRPILVRUTZEXOM-UHFFFAOYSA-N 364.155 3.615 5 1 FHBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)NCc3ccccc3)cccc12 84596102 ROUZYVXIFADQQM-UHFFFAOYSA-N 373.408 3.950 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1[N+](=O)[O-] 587130468 KLHZOUKFXNRFSV-UHFFFAOYSA-N 350.237 3.648 5 1 FHBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587163665 QPTYNTFJTSMBNU-UHFFFAOYSA-N 362.320 3.903 5 1 FHBF Cc1oc(-c2nc3cc(I)ccc3[nH]2)cc1[N+](=O)[O-] 587268602 GOPUKLUGOOHIKM-UHFFFAOYSA-N 369.118 3.644 5 1 FHBF COc1cc(-c2nc3cc(OC)c(Cl)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261074 RWVQANYIAOFASK-UHFFFAOYSA-N 363.757 3.817 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587430702 BHWZSFPJSWAEOZ-VBKZILBWSA-N 364.357 3.748 5 1 FHBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2N1 587124761 OFTCXVOVBMAFBA-JVXZTZIISA-N 366.303 3.642 5 1 FHBF C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13478346 BKZVCBUXFZAITG-SFHVURJKSA-N 368.324 3.824 5 3 FHBF COc1cc2c(cc1OC)C(CC(=O)c1ccc([N+](=O)[O-])c(C)c1)=NCC2 136144761 ZIEKCIOZVKSALC-UHFFFAOYSA-N 368.389 3.539 5 1 FHBF O=C(O)CCC[C@@H]1[C@H]2CCC[N@+]3([O-])CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 299811139 GSSHMZUWXVVKBL-JPOOANNQSA-N 372.509 3.629 5 1 FHBF COc1ccc2c(c1OC)[C@@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C)[C@H](C)C2 962627037 KKRLOGTWNVWEFX-MPBGBICISA-N 374.412 3.891 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)n2c3ccccc3c3ccccc32)cc1 40918260 MXQSTURKDCSFOO-UHFFFAOYSA-N 352.371 3.940 5 1 FHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)o1 587264703 JUPLSENVAXEKMO-UHFFFAOYSA-N 351.278 3.701 5 1 FHBF Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)F 587645513 XQLDWIIJVHYULE-UHFFFAOYSA-N 352.272 3.530 5 1 FHBF N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1C2 101747910 UPPFCAGNQPAMOX-ZIAGYGMSSA-N 371.462 3.725 5 1 FHBF O=c1oc(CCCO)cc2ccc(/C=C/c3cccc([N+](=O)[O-])c3)cc12 36388792 YBNGZJJWQJREJV-VOTSOKGWSA-N 351.358 3.797 5 3 FHBF O=[N+]([O-])c1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Cl 586912602 IUPULKCSNZLOLD-UHFFFAOYSA-N 373.796 3.927 5 1 FHBF Cc1cc2nc(-c3ccc(NS(=O)(=O)C(C)C)cc3)[nH]c2cc1[N+](=O)[O-] 586950859 OFKIRTFILRYGBR-UHFFFAOYSA-N 374.422 3.597 5 1 FHBF Cc1ncc([N+](=O)[O-])n1C[C@H](C)OC(=O)/C=C/c1ccc2ccccc2c1 72177591 NQSBNNDPVKPZBU-PLWJUESGSA-N 365.389 3.898 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3c(C)nccc3[nH]2)c(C)c1[N+](=O)[O-] 587267326 IUIJACZOOBGTHZ-UHFFFAOYSA-N 362.393 3.703 5 1 FHBF O=C(CCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1cccc(F)c1 587162289 IVBYBRHBGGFMNJ-UHFFFAOYSA-N 362.748 3.835 5 1 FHBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587242585 UWXWTUOWUJMGOC-UHFFFAOYSA-N 353.382 3.908 5 1 FHBF COc1cc(OCc2nc3cnc4ccccc4c3[nH]2)ccc1[N+](=O)[O-] 587262036 MKVDRMYIPVBHEH-UHFFFAOYSA-N 350.334 3.607 5 1 FHBF Cc1c(Br)cc2nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c2c1C 587277322 SUESUQWGJQGBEU-SECBINFHSA-N 364.203 3.656 5 1 FHBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1 587123422 ICWWHHUNDQQRML-RDDDGLTNSA-N 366.303 3.642 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2c1 587781573 AKSVXPFABLUNSY-UHFFFAOYSA-N 362.345 3.818 5 1 FHBF CC(C)(C)CCc1cc2c(=O)c3cc(C(=O)O)c(N)nc3oc2cc1F 1857649771 SZXVMEFNHZZJPD-UHFFFAOYSA-N 358.369 3.739 5 1 FHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587272772 AEMTWWOHECGSIL-UHFFFAOYSA-N 359.695 3.697 5 1 FHBF COc1cc(OC)c2[nH]c(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])nc2c1 587137214 UEFMUVHCZGLPEU-UHFFFAOYSA-N 374.372 3.572 5 1 FHBF COc1ccc2[nH]c3c4ccc5ccn(C)c5c4c4c(c3c2c1)C(=O)NC4=O 13534944 GXMCJYDHUZVBKD-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13682679 MAWOPMMGPNIJCZ-IBGZPJMESA-N 364.361 3.608 5 3 FHBF Cc1nc(COc2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cs1 587020366 PJHBOEIQYOOSKD-UHFFFAOYSA-N 367.390 3.877 5 1 FHBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 963237152 HETOEHAWKNBHGO-YCRPNKLZSA-N 368.433 3.774 5 1 FHBF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc([N+](=O)[O-])c2)=NO1 12726009 COSVVRZSBPZQNJ-IBGZPJMESA-N 364.361 3.608 5 3 FHBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)N[C@@H](C)c3ccccc3)cc12 653808323 FQUHBSCFHGGWQF-ZDUSSCGKSA-N 374.396 3.818 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)CC2=O 587472784 NADBNOXNENJAIQ-KRWDZBQOSA-N 372.333 3.868 5 1 FHBF O=C(CCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(Cl)cn1 587082288 NAZXTETVUGLLGL-UHFFFAOYSA-N 362.748 3.864 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)O2 587389960 OJIBUZQWPCWGNK-IBGZPJMESA-N 363.373 3.983 5 1 FHBF COc1cc2c(cc1OC)[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 28826649 NVGCANQXJBHGKW-ZDUSSCGKSA-N 356.378 3.671 5 1 FHBF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587049683 UFWHQWXZQCEGSR-UHFFFAOYSA-N 359.773 3.781 5 1 FHBF CCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O 28820409 GRBNLMQMZPIKSB-UHFFFAOYSA-N 353.486 3.948 5 1 FHBF C[C@H]1C[N+]2([O-])[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@@H]1CC[C@H]3CCC=C3[C@@H]12 238788460 PTOMOLGIAURSGE-CLLHUXTRSA-N 357.494 3.940 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Cl 587177183 BOIABDQGNUHTSF-UHFFFAOYSA-N 361.764 3.926 5 1 FHBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cccc(F)c3[nH]2)CC1 363554583 ITXPMUUNEXGGLR-UHFFFAOYSA-N 368.368 3.630 5 1 FHBF Nc1cc(C(=O)O)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587251993 STYLGTLZRWVJJL-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(OC)c1[N+](=O)[O-])CC2=O 587468781 DKUXRKADVBVKJO-MRXNPFEDSA-N 373.361 3.674 5 1 FHBF C[C@]12C[C@H](NC(=O)N1c1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O2 2498679 ABHHIZREMFRESL-GUYCJALGSA-N 361.304 3.643 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])o2)N1 587751119 KTLUQBWBZOHPGG-WJWGPLDTSA-N 355.163 3.713 5 1 FHBF [O-][n+]1ccccc1SCc1nc2cc3nc4ccccc4nc3cc2[nH]1 586969443 RWZYWWLCWDYTOO-UHFFFAOYSA-N 359.414 3.585 5 1 FHBF O=[N+]([O-])c1ccc(Oc2ccc(-c3cc(N4CCOCC4)[nH]n3)cc2)cc1 28869242 AJJHOQJRVMHWLL-UHFFFAOYSA-N 366.377 3.614 5 1 FHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587269459 NXODIXWQKJRFQP-UHFFFAOYSA-N 353.338 3.647 5 1 FHBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587160590 XGLNNOPXHDWZJJ-UHFFFAOYSA-N 352.119 3.745 5 1 FHBF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc([N+](=O)[O-])cc4[nH]1)(C3)C2 587951486 WFHDWBSPGKKWIW-NFAYLAGKSA-N 355.394 3.625 5 1 FHBF O=c1c2ccc(Br)cc2oc2cc(Cn3ccnc3)ccc12 1857758287 FVXSPFUWZXDUFQ-UHFFFAOYSA-N 355.191 3.954 5 1 FHBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccccc1F 587645420 AXRRGJSEVIZZRO-UHFFFAOYSA-N 356.309 3.623 5 1 FHBF C[C@@H]1CCCC[C@@H]1NC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957368 HRFVYMUPNLUVES-WBMJQRKESA-N 369.852 3.810 5 1 FHBF O=[N+]([O-])c1cccc(-c2nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3[nH]2)c1 45166977 HAJHTEPGNVMPBP-IYBDPMFKSA-N 361.405 3.799 5 1 FHBF COC(=O)Cc1cccc2c(=O)c3ccc4c(c3oc12)C=CC(C)(C)O4 27554521 LGSKJLVXFNZSAD-UHFFFAOYSA-N 350.370 3.846 5 1 FHBF COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 34804412 FXYLUMXISUSWSG-UHFFFAOYSA-O 369.485 3.703 5 1 FHBF CC(C)(C)Nc1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)cn2C(C)(C)C 5833895 RRTOTIYUTFBBAA-UHFFFAOYSA-N 361.398 3.573 5 1 FHBF COC(=O)c1c(NCc2ccc(F)cc2)noc1-c1ccc([N+](=O)[O-])cc1 2382219111 KPWUYJSUZZKNJO-UHFFFAOYSA-N 371.324 3.788 5 1 FHBF COc1ccc(NC(=O)c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c(OC)c1 587646488 BXUROVUXCXFWMP-UHFFFAOYSA-N 355.350 3.654 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O 587429713 CNOGFTZHUDRPSF-BUXKBTBVSA-N 350.330 3.573 5 1 FHBF COc1ccc2c(c1OC)[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C)[C@@H](C)C2 962627042 KKRLOGTWNVWEFX-YUNKPMOVSA-N 374.412 3.891 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C)cnc2[nH]1 587261950 FGBVYOBZMXSDCK-LLVKDONJSA-N 370.365 3.526 5 1 FHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1[N+](=O)[O-] 587868416 KURDFSMFMMQMDV-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF O=c1c2ccccc2n(CCCCN2CCOCC2)c2ccc(Cl)cc12 29037577 GTVWTVKEPVTYGI-UHFFFAOYSA-N 370.880 3.921 5 1 FHBF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644739 LZLXGPMQYCBEHY-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])c(F)cc1Cl)O2 587382660 SXCAOCKWOHDQEC-OAHLLOKOSA-N 350.733 3.984 5 1 FHBF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)(C)C 587205415 RCJICXKPOVPGCZ-CYBMUJFWSA-N 362.430 3.953 5 1 FHBF O=[N+]([O-])c1cc(Cl)cc2c1NC[C@H]1C2=NN[C@H]1c1ccc(Cl)cc1 1772652255 DZLWPNBSLKOJEP-OCCSQVGLSA-N 363.204 3.992 5 1 FHBF CC1CCC(NC(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1 2957406 CHMZDJFXLUHQLO-UHFFFAOYSA-N 369.852 3.810 5 1 FHBF O=C(c1ccccc1)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587269186 SHBJEKULEZAVOS-UHFFFAOYSA-N 373.372 3.709 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccc4cc([N+](=O)[O-])ccc4n1)[C@@H](C2)C3=O 587434027 OWNJXMHMCMDJGJ-XOBRGWDASA-N 362.341 3.640 5 1 FHBF Nc1nc2oc3cc(CCC4CCCC4)ccc3c(=O)c2cc1C(=O)O 1857653835 DCWQBCJFMTWAMV-UHFFFAOYSA-N 352.390 3.744 5 1 FHBF O=C1CCC[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 586884302 MOAZOFBLWYQAGT-MRVPVSSYSA-N 352.188 3.850 5 1 FHBF Cc1cc(F)c2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c1 587265831 UCSUIGJWYGYNHK-VIFPVBQESA-N 359.317 4.000 5 1 FHBF COc1ccc(O)c(-c2nnc(-c3cc4ccc([N+](=O)[O-])cc4o3)o2)c1 1857548260 CIJPCYZFGYKZOK-UHFFFAOYSA-N 353.290 3.772 5 1 FHBF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1C=CO[C@H]1O4 13374536 RNQJRTAELVXSOU-MDTSDYNXSA-N 358.733 3.660 5 1 FHBF biogenic CCOC(=O)c1[nH]c(/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 103223666 NZRJGTWLERIZII-DHZHZOJOSA-N 372.377 3.755 5 1 FHBF C[C@@H]1C[N+]2([O-])[C@H]3[C@@H]1CC[C@]31CCC(=O)O[C@]1(C)[C@H]1CC[C@H]3CCC=C3[C@@H]12 38288523 PTOMOLGIAURSGE-WUAOOJMUSA-N 357.494 3.940 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc4c(cc3[nH]2)OCCCO4)c1 587261799 IHZVSCRRQHIWOP-UHFFFAOYSA-N 369.377 3.562 5 1 FHBF COc1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1[N+](=O)[O-] 587388467 CEYVHOGNJGTTMY-INIZCTEOSA-N 367.361 3.682 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)O2 587388546 DDJQGEQZEJTDAD-LJQANCHMSA-N 351.362 3.847 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](COc1ccc([N+](=O)[O-])cc1)CC2=O 587470202 JIVICXHZIUYJNP-CQSZACIVSA-N 357.362 3.666 5 1 FHBF Cc1c(Br)ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587267819 GIDNDOIORZSBMO-UHFFFAOYSA-N 362.187 3.549 5 1 FHBF Cc1cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267646 OEFYTVLCCQDPEU-VIFPVBQESA-N 364.203 3.656 5 1 FHBF O=[N+]([O-])c1ccc(OCCOc2ccc(-n3cccc3)cc2)c([N+](=O)[O-])c1 473136009 MSDHNBAKXULWBP-UHFFFAOYSA-N 369.333 3.752 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H](C2)C3=O 587419100 JKSIBBRSBZZWID-KBXCAEBGSA-N 359.765 3.920 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(F)c(F)c(F)c3[nH]2)c1 587262463 UOGUPFBRMMTSMY-UHFFFAOYSA-N 351.284 3.818 5 1 FHBF C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 28089036 ZUNVZNROSSUOPE-INIZCTEOSA-N 366.826 3.730 5 1 FHBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)N3C 40875910 AADCWJFQHQIXSD-UHFFFAOYSA-N 353.374 3.617 5 1 FHBF biogenic O=[N+]([O-])c1cc(Cl)cc2c1NC[C@@H]1C2=NN[C@H]1c1ccc(Cl)cc1 1772652254 DZLWPNBSLKOJEP-JSGCOSHPSA-N 363.204 3.992 5 1 FHBF CO[C@@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 587952293 ODJZYWVKGIISID-UNXYVOJBSA-N 351.378 3.688 5 1 FHBF CNC(=O)Oc1cccc(OCCCCOc2ccc([N+](=O)[O-])cc2)c1 103205234 WDNHKZOQGLRCKP-UHFFFAOYSA-N 360.366 3.551 5 1 FHBF CCc1ccc(OCC/N=c2\c([N+](=O)[O-])c(O)oc3ccccc23)cc1 621472558 KISSQPOCOVRLPU-JZJYNLBNSA-N 354.362 3.589 5 1 FHBF CCN(CC)CCCNc1cc(C)nc2c3cc4ccccc4nc3nn12 299870857 WYJBZJTVBKKVNU-UHFFFAOYSA-N 362.481 3.883 5 1 FHBF COc1cc([N+](=O)[O-])cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587512188 LVBQTAYXOSJDCZ-QGZVFWFLSA-N 369.373 3.894 5 1 FHBF O=C(O)c1cccc2c1CCN[C@@H]2c1coc2c(ccc3ccccc32)c1=O 963133757 SCMWJOZKQLQQDR-FQEVSTJZSA-N 371.392 3.880 5 1 FHBF O=[N+]([O-])c1ccc(Oc2ccc(OCCN3CCCC3)cc2)c([N+](=O)[O-])c1 71329346 MGVFPATWPRNDGL-UHFFFAOYSA-N 373.365 3.770 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3cccc(F)c3)cc1)C2 45255755 MRHUBBFAYTZSPM-KRWDZBQOSA-N 369.352 3.575 5 1 FHBF O=C(O)c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1F 587139645 NNHPIQIPJVJHCV-UHFFFAOYSA-N 353.668 3.768 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587261374 ACDVMDHXZNFKNY-UHFFFAOYSA-N 366.299 3.815 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979894 XWPFRBDOVSPHBI-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)c([N+](=O)[O-])c3)n2)s1 3816085 MYHBMTAGTIOCHM-UHFFFAOYSA-N 370.438 3.935 5 1 FHBF in-vitro CS(=O)(=O)Nc1ccc(Nc2cc3ncncc3c3ccccc23)cc1 66098238 JAJIMUJJOKIWRE-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF CCNc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587875096 NDLIBDVBIWFCGJ-UHFFFAOYSA-N 368.324 3.823 5 1 FHBF NC(=O)Nc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587242634 WHGVDLWSXJCMNS-UHFFFAOYSA-N 354.373 3.817 5 1 FHBF COc1cccc2cc3c(nc12)[C@@H](c1ccc([N+](=O)[O-])cc1F)NCC3 963045511 GMGFJQSLCAUXEN-LJQANCHMSA-N 353.353 3.526 5 1 FHBF CN(C)CCNc1nc2c3cccnc3ccc2c2cc3c(cc12)OCO3 71282258 UYRHTCLSZRKQJJ-UHFFFAOYSA-N 360.417 3.638 5 1 FHBF COc1cc2c3c(c4ccc(OC)c(O)c4c2cc1O)C[C@@H]1CCCN1C3 238770358 PXTVTTDNRMGGJY-LBPRGKRZSA-N 365.429 3.942 5 1 FHBF Cn1c2ccccc2c2cc(C(=O)NCCN3CCCC3)c3ncccc3c21 96921187 JLVDBPAFOBSYPC-UHFFFAOYSA-N 372.472 3.705 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](Cc1ccc([N+](=O)[O-])cc1OC)CC2=O 587473329 RYNMFFYLBUPSMF-AWEZNQCLSA-N 371.389 3.838 5 1 FHBF COc1cc(C)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943893 RVRXFUCJWCGTJM-UHFFFAOYSA-N 359.151 3.618 5 1 FHBF CN(C)CCCNc1c2ccccc2[n+](C)c2c1[nH]c1c(F)cc(F)cc12 40950036 WATBPXAWEJWVIL-UHFFFAOYSA-O 369.439 3.941 5 1 FHBF COc1cc2c3c(c4ccc(O)c(OC)c4c2cc1O)C[C@@H]1CCCN1C3 34444297 WPOKYTPPLXAILU-LBPRGKRZSA-N 365.429 3.942 5 1 FHBF biogenic COc1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587929709 DCHBCIODCDHLJA-UHFFFAOYSA-N 362.183 3.833 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586915675 GPLSMKSUQCIRAE-VBKZILBWSA-N 365.389 3.996 5 1 FHBF CC[C@H]1OCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586914660 XKBGMOCQXBGYTF-BXKDBHETSA-N 354.204 3.906 5 1 FHBF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587076707 ZTUYIQKPZPLTNU-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587418572 JEGXXCSNLVYSLY-SCLBCKFNSA-N 359.765 3.920 5 1 FHBF COc1cc(CC[N+](C)(C)[O-])c2ccc3cc4c(cc3c2c1OC)OCO4 14765576 WZFHIFOLMUWWNI-UHFFFAOYSA-N 369.417 3.856 5 1 FHBF CN(C)CCCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12 27564591 NVTOGXJFBOZCJM-UHFFFAOYSA-N 368.437 3.733 5 1 FHBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)[C@@H](O)[C@@H]1CCCN1C3 4934416 SBVBOLGVLBCFIL-AVRDEDQJSA-N 365.429 3.727 5 1 FHBF biogenic O=[N+]([O-])c1ccc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1F 587151834 UNKJKANAUWWZFI-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF Nc1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1CC(=O)O 587249360 JHNBPVSMRWCWRJ-UHFFFAOYSA-N 369.384 3.536 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587471184 OOGMXCGRYYDQIT-QGZVFWFLSA-N 367.361 3.836 5 1 FHBF Cc1ccc2c(ccc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c32)n1 587269794 QFWJGLUBXUZBMK-UHFFFAOYSA-N 362.345 3.719 5 1 FHBF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N+]1(C)CC2 1092268 BMQBFTBKHPYZFM-XNUZUHMRSA-N 370.469 3.521 5 1 FHBF Cc1cc2c(c([N+](=O)[O-])c1)N(Cc1cc3ccccc3s1)C(=O)C2=O 28463122 OPRIYCBKEHNRHA-UHFFFAOYSA-N 352.371 3.847 5 1 FHBF CC(C)c1ccc(COc2cc([N+](=O)[O-])ccc2NS(C)(=O)=O)cc1 35324663 POVSVQVSZRPQON-UHFFFAOYSA-N 364.423 3.669 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029992 XLGSYJNQYZJKIJ-UHFFFAOYSA-N 353.363 3.569 5 1 FHBF CC(=O)Nc1ccc(Br)cc1Sc1ncccc1[N+](=O)[O-] 98082031 NTBNRLSFZRKXTH-UHFFFAOYSA-N 368.212 3.862 5 1 FHBF CC(C)(C)N1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21 13651903 IYVJCYRCXJQFOQ-UHFFFAOYSA-N 355.369 3.716 5 1 FHBF C[C@@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1C=CC=CC=C1 73142067 WMBPTNZBPGXZAR-QFIPXVFZSA-N 353.486 3.583 5 1 FHBF Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O 40919092 UYZMGCAMZWVJGZ-UHFFFAOYSA-N 351.362 3.970 5 1 FHBF NCCCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1 1772652368 LNHLOFGVEDQSHZ-UHFFFAOYSA-N 372.432 3.687 5 1 FHBF O=c1nc2n(-c3ccccc3)c3ccccc3cc-2c(=O)n1-c1ccccc1 40894696 QZMFJFGKPYILFG-UHFFFAOYSA-N 365.392 3.641 5 1 FHBF COc1cc(O)cc(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587930382 AVMHTTLDJLFPNX-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF O=C(c1ccccn1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772614413 WXMOCBNPQFCTEE-UHFFFAOYSA-N 368.440 3.745 5 1 FHBF COc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1O 45289315 LABODZBRBSQHBW-XVNBXDOJSA-N 371.374 3.571 5 1 FHBF COc1c(CC=C(C)C)cc2c(=O)c3c(O)cc(O)cc3oc2c1OC 238774971 HSSKQGDCWQCGAC-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF Cc1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1[N+](=O)[O-] 587005768 QZKNKDVDMWQZIY-UHFFFAOYSA-N 368.578 3.652 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc([N+](=O)[O-])c1)O2 587388889 HNNUKHSIDWOKBV-IBGZPJMESA-N 363.373 3.983 5 1 FHBF O=c1c2cc(O)ccc2[nH]c2c([N+](=O)[O-])ccc(NCc3ccco3)c12 2382218922 BYQOEAWAFSEYRC-UHFFFAOYSA-N 351.318 3.500 5 1 FHBF O=C(Nc1ccc([C@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1O 29217520 ZQSNNUARKACJPY-LJQANCHMSA-N 364.357 3.634 5 1 FHBF O=[N+]([O-])c1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)ccc1Cl 587048708 DNAAJZOPNQKOKZ-DUXPYHPUSA-N 365.827 3.662 5 1 FHBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511402 PQVJQSQUEJKSLL-QGZVFWFLSA-N 369.373 3.894 5 1 FHBF Cc1nc(N2N=C(c3ccc(Cl)cc3)CCC2=O)sc1[N+](=O)[O-] 5840638 OXOLJLXFPMAECC-UHFFFAOYSA-N 350.787 3.544 5 1 FHBF Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073151 DCMGJKIZFUVXKT-UHFFFAOYSA-N 368.784 3.740 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1cc([N+](=O)[O-])ccc1N)CC2=O 587468672 CNMBRDABBSAUJS-IBGZPJMESA-N 356.378 3.716 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3F)cc1)C2 45258736 IWJJZWBWELYOCA-HNNXBMFYSA-N 369.352 3.575 5 1 FHBF C[N@@+]1(CC[N@@+]2(C)CCC[C@@H]2c2cccnc2)CCC[C@H]1c1cccnc1 263602498 MJRIWDXWCJJQJG-MNHALERFSA-N 352.526 3.740 5 1 FHBF COc1cc2c3c(c1)O[C@](c1cccc([N+](=O)[O-])c1)(C1CC1)[C@@H](C2)C3=O 587434380 UGRBXHQLSRHHFE-JXFKEZNVSA-N 351.358 3.656 5 1 FHBF Cn1ccc2ccc3c4[nH]c5cc(O)ccc5c4c4c(c3c21)C(=O)NC4=O 13534979 WGJXQPAASLPNOB-UHFFFAOYSA-N 355.353 3.555 5 1 FHBF Cc1cc(OCCCOc2ccccc2)cc2oc(=O)c([N+](=O)[O-])c(O)c12 169337563 VXSMRKPZOJGMJS-UHFFFAOYSA-N 371.345 3.563 5 1 FHBF CC[N@@+]1(C)CC[C@@](O)(c2ccc(C)cc2)[C@H](C(=O)c2ccc(C)cc2)C1 253649193 YSWUASFXPBRSMW-QTJGBDASSA-N 352.498 3.860 5 1 FHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 587279825 CGBKRHMUMIAVCF-LLVKDONJSA-N 368.320 3.716 5 1 FHBF COc1ccc2c(c1OC)[C@@](C)(c1cc([N+](=O)[O-])ccc1F)N(C)[C@H](C)C2 962617224 AXBWQOGTHAUZMX-MPBGBICISA-N 374.412 3.891 5 1 FHBF CC[C@H](C)NC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82149817 XXMJOAXPZQKZPV-STQMWFEESA-N 371.441 3.791 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473577 XWZIDUQCICEQTO-QGZVFWFLSA-N 357.362 3.968 5 1 FHBF COc1ccc2c(c1)[nH]c1c3ccc4cc[nH]c4c3c3c(c21)C(=O)NC3=O 13534983 ZSGIVPVGKNDZFX-UHFFFAOYSA-N 355.353 3.848 5 1 FHBF O=c1nc(N2CCCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 96910802 DLHZSYOVOWDIOD-UHFFFAOYSA-N 359.329 3.574 5 1 FHBF Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)c1 261173961 UJPUVORABIHTSL-ZCVJKFOLSA-N 367.449 3.988 5 1 FHBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587109307 LVQFZQIVRMMBIU-UHFFFAOYSA-N 369.230 3.994 5 1 FHBF C[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc([N+](=O)[O-])cn1 587275930 HRACWAQWRMTWLW-ZDUSSCGKSA-N 363.377 3.856 5 1 FHBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1 587867771 AHGUDYCKADUTHB-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccncc2[N+](=O)[O-])N1 587751748 OMEMKEMDCZJBTA-AYVTZFPOSA-N 366.190 3.515 5 1 FHBF O=[N+]([O-])c1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl 587051070 XCPGUBQBKPZUMM-RQOWECAXSA-N 355.741 3.877 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587091111 BCHVQTDKLRJFDI-UHFFFAOYSA-N 371.231 3.529 5 1 FHBF COc1cc2c(cc1[N+](=O)[O-])[C@]1(CCC2)NCCc2cc(Cl)ccc21 963390445 JRMTZCXITHJZLR-LJQANCHMSA-N 358.825 3.982 5 1 FHBF CCCN=c1nc2[nH]c3c(c(-c4ccc([N+](=O)[O-])cc4)c-2s1)CCC3 1857547024 PCPLIVBNADAZRF-UHFFFAOYSA-N 354.435 3.951 5 1 FHBF COc1ccc(/C=C\c2cc(OC)c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 34640905 XAHIMGJZBSTTRA-PLNGDYQASA-N 360.322 3.699 5 1 FHBF COc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c(OC)c1 587646745 JRYGPSXEQVKNHA-UHFFFAOYSA-N 355.350 3.654 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccncc2[N+](=O)[O-])N1 587749247 CZSNBYAJUSKNEC-VXJOIVPMSA-N 366.190 3.515 5 1 FHBF CC(C)(SCc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)O 586958933 IPTSEXQRCZZPDZ-UHFFFAOYSA-N 352.419 3.756 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)c3cc[nH]c23)cc1 28233236 IQDABNPXVJHCJR-UHFFFAOYSA-N 351.771 3.530 5 1 FHBF CCC(=O)N[C@H](c1cccs1)c1cc([N+](=O)[O-])c2cccnc2c1OC 36380880 MVSDRWFMCCQNRB-INIZCTEOSA-N 371.418 3.829 5 3 FHBF O=C(CNc1cccc([N+](=O)[O-])c1)n1nc2cc1Oc1ccc(F)cc1-2 587874576 FMGHQVKOQXTIHN-UHFFFAOYSA-N 354.297 3.455 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)O2 587390076 PHKZNODLOIFHEB-KRWDZBQOSA-N 351.362 3.982 5 1 FHBF COc1ccc(-c2nnc(-c3cc4ccc([N+](=O)[O-])cc4o3)o2)cc1O 1857557177 OQGLXPRUUAWTAK-UHFFFAOYSA-N 353.290 3.772 5 1 FHBF C[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276628 NIKLQFONFPTCQC-LBPRGKRZSA-N 361.361 3.508 5 1 FHBF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)(C)C 587206181 VOCJBFNPKGJMTQ-CQSZACIVSA-N 362.430 3.953 5 1 FHBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])c2cc(OC)c(OC)cc2C[C@H](C)N1C 962640588 WWKMBPNDCHQVAI-TYILLQQXSA-N 350.459 3.631 5 1 FHBF NC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12 26749862 WGZNLQUCFSXCGZ-HXUWFJFHSA-N 356.381 3.734 5 1 FHBF CCN(CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(NC2CCCC2)n1 64527605 FBGAQQMORSUXBQ-CQSZACIVSA-N 364.494 3.662 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008408 VHZPJWQMIQRUJY-UHFFFAOYSA-N 358.155 3.777 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)[C@H](C[N+](=O)[O-])c1ccccc1)O2 587390528 QYYAUJKVDAXZTN-APWZRJJASA-N 368.433 3.998 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)CC2=O 587469459 FGGRQYWQPDLVDV-QGZVFWFLSA-N 367.361 3.836 5 1 FHBF CO[C@]1(C)C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1 1857744551 CHMLOTQPCCPPLR-QRWLVFNGSA-N 367.357 3.978 5 1 FHBF O=[N+]([O-])c1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 28640379 OUOPQLSJLBGMFE-QGZVFWFLSA-N 351.410 3.548 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)O2 587390071 PDWNUTDYRQIOJN-IBGZPJMESA-N 367.405 3.792 5 1 FHBF Cn1c2ccccc2c2c3c(O)n[nH]c(=O)c3c3c4ccccc4n(C)c3c21 1858284 UXQKFZQLUHACFP-UHFFFAOYSA-N 368.396 3.919 5 1 FHBF O=C(/C=C\c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Nc1ccc(F)cc1 587166989 MBADOCJUAYOPKM-WAYWQWQTSA-N 360.732 3.916 5 1 FHBF COc1cc2c(cc1OC)C1=Cc3ccc(OC)c(OC)c3C[N+]1([O-])CC2 6018940 RAHWKGBOIYHEHV-UHFFFAOYSA-N 369.417 3.603 5 1 FHBF COc1cc2ncnc(NCCc3ccc(Cl)cc3)c2cc1[N+](=O)[O-] 27629600 WVFSSVCWJYHKAL-UHFFFAOYSA-N 358.785 3.855 5 1 FHBF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc([N+](=O)[O-])cc2s1 587653844 MRZIVHZGOOIVII-UHFFFAOYSA-N 358.766 3.557 5 1 FHBF COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1 13366204 QMDZVKMJRKIRSE-LJQANCHMSA-N 372.485 3.637 5 1 FHBF O=C(/N=c1\[nH]c2ccccc2n1CCC1CCC1)c1cccc([N+](=O)[O-])c1 36184956 ZOFPFUDJPUSSGX-UHFFFAOYSA-N 364.405 3.809 5 1 FHBF O=c1c2cc(NCc3ccc([N+](=O)[O-])cc3)ccc2nc2n1CCCCC2 38280235 QERPLHWEBTZFLZ-UHFFFAOYSA-N 364.405 3.643 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1cccc(F)c1)C2 45284617 ZRSCAZIRLZWZIL-INIZCTEOSA-N 369.352 3.575 5 1 FHBF COc1cc(OCc2nc3ccc(OC(C)C)cc3[nH]2)ccc1[N+](=O)[O-] 587263246 PFFPXUIVLQGULD-UHFFFAOYSA-N 357.366 3.846 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(OC)cc1[N+](=O)[O-] 587872009 SMOXOPHGDFPTDT-UHFFFAOYSA-N 357.341 3.994 5 1 FHBF O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12 29404658 ZYYFYOJMSXGBHS-UHFFFAOYSA-N 360.388 3.793 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3cc4ccc(Br)cn4c3)[nH]c12 587007149 YGRLNHUXDGYFKZ-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cccc([N+](=O)[O-])c2[nH]1 587081167 WQEWCYZELRZUAS-GFCCVEGCSA-N 355.785 3.848 5 1 FHBF O=[N+]([O-])c1ccc(O[C@@H](CCn2ccnc2)COc2ccccc2)cc1 45367443 SLZHPGVDYJQXGB-IBGZPJMESA-N 353.378 3.708 5 1 FHBF CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(C)cc1 587216649 IODOSHWCPLCPIU-HNNXBMFYSA-N 352.394 3.508 5 1 FHBF Cc1c(CC[C@@H](C)[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 587623066 KJYIKTLNSHXZGB-SSDOTTSWSA-N 351.204 3.713 5 1 FHBF O=c1nc(N2CCOCC2)oc2ccc3cc(-c4ccccc4)ccc3c12 1772632307 AXPCTAGRSPTVNT-UHFFFAOYSA-N 358.397 3.845 5 1 FHBF COc1c(Cl)ccc2oc3cc4c(c(O)c3c(=O)c12)[C@H]1CCO[C@H]1O4 13374551 JLTNUBHYPWOYAB-MDTSDYNXSA-N 360.749 3.536 5 1 FHBF biogenic C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)cnc2[nH]1 587264978 BECWVYDMCOBIEV-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF O=[N+]([O-])c1ccn(CCCc2nc3ccc(SC(F)(F)F)cc3[nH]2)n1 587273572 LWIBULOHYMTRRB-UHFFFAOYSA-N 371.344 3.912 5 1 FHBF C[C@@]1(c2nnc(-c3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 12726922 CLQLTFAXTJVZKB-SFHVURJKSA-N 350.334 3.685 5 3 FHBF Cc1nc(N(C)C)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 13559873 AHXBVGBTNPVUAS-UHFFFAOYSA-N 356.411 3.626 5 1 FHBF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc([N+](=O)[O-])cc2)=NO1 13682683 MAWOPMMGPNIJCZ-LJQANCHMSA-N 364.361 3.608 5 3 FHBF Cc1cc(OCC(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1[N+](=O)[O-] 587280070 ZTIZVUQFGZWSCL-UHFFFAOYSA-N 356.290 3.819 5 1 FHBF Cc1oc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1[N+](=O)[O-] 587268587 FWUJHWIWFJTGAX-UHFFFAOYSA-N 357.551 3.850 5 1 FHBF CC(F)(F)c1nn2cc(-c3nc4c([N+](=O)[O-])cccc4o3)nc2s1 205905034 GSQLGMGCBMEHOR-UHFFFAOYSA-N 351.294 3.619 5 1 FHBF COc1c2c(cc3oc4ccc(Cl)c(O)c4c(=O)c13)O[C@@H]1OCC[C@H]21 13374557 ROKZKWUTWDHMJV-MDTSDYNXSA-N 360.749 3.536 5 1 FHBF biogenic CC[C@]1(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)CC(=O)c2ccccc2C1 587960830 NTNWTPLQXCEVIY-LJQANCHMSA-N 350.378 3.634 5 1 FHBF COc1ccc(-c2onc(NC(C)=O)c2-c2ccc([N+](=O)[O-])cc2)cc1 103263309 LFELYNXCPZKQQO-UHFFFAOYSA-N 353.334 3.884 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c1 587262928 ISVYCRNRQBLNEZ-UHFFFAOYSA-N 356.338 3.618 5 1 FHBF CCOc1ccc(C(=O)CN2[C]3C=C(C)C=CN3C=C2C)cc1[N+](=O)[O-] 2356838265 PCHOWJZKNHWMBR-UHFFFAOYSA-N 354.386 3.618 5 1 FHBF O=C(/C=C/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 43073131 DRSBEGHOVKMDFR-MHUSLGGSSA-N 363.417 3.513 5 1 FHBF Nc1nc(Nc2ccccc2[N+](=O)[O-])ccc1C(=O)c1c(F)cccc1F 14945637 RKSUYNPOOOLLOS-UHFFFAOYSA-N 370.315 3.825 5 1 FHBF CCOc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O 29342286 UOUDIOOZKKFBBT-UHFFFAOYSA-N 362.429 3.549 5 1 FHBF CO[C@]1(C)C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(c3ccccc3oc2=O)O1 1857744552 CHMLOTQPCCPPLR-YWZLYKJASA-N 367.357 3.978 5 1 FHBF Cn1cc([N+](=O)[O-])cc1-c1nnc(-c2ccccc2OC(F)(F)F)o1 103281374 RRGUMVQIHPMLGR-UHFFFAOYSA-N 354.244 3.549 5 1 FHBF CC(C)COc1cc(C(=O)Nc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-] 299852796 XPJORVSQJSRFNV-UHFFFAOYSA-N 358.350 3.580 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)CC2=O 587473390 TVWNFNXRCBLVBE-HXUWFJFHSA-N 369.373 3.860 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c12 587092293 BZGJNRZRPPBZPR-UHFFFAOYSA-N 355.301 3.583 5 1 FHBF Cc1c2c3cc(NC(=O)[C@H]4CCCN4)ccc3nc-2n(C)c2ccccc12 103023992 JYTCJDLFHGPCOL-GOSISDBHSA-N 358.445 3.830 5 1 FHBF COc1cccc(-c2cc(O)cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587933841 WNABGDWWIZEGFT-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1CC(=O)N(c2ccccc2)C1 587280507 YPUMQNWYWUFOMP-LBPRGKRZSA-N 350.330 3.577 5 1 FHBF CC(C)(C)NC[C@H](O)CON=c1c2ccccc2ccc2ccccc12 169326590 KYOIHDXWCDZLBS-SFHVURJKSA-N 350.462 3.574 5 1 FHBF COCCOc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1[N+](=O)[O-] 587266067 VEFUFHIKVJAIQD-UHFFFAOYSA-N 370.409 3.856 5 1 FHBF CSc1c2ccccc2c2c3c(cccc13)C(=O)N(CCN(C)C)C2=O 29394469 CCILTOWSCJFSNT-UHFFFAOYSA-N 364.470 3.873 5 1 FHBF Cc1nn(-c2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c(C)c1Cl 587064825 HSMWGBBLWSBGFI-UHFFFAOYSA-N 368.784 3.989 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1CO)N2 64540906 GXLFFMIVIQILFQ-UHFFFAOYSA-N 369.768 3.690 5 1 FHBF CN1C(=O)c2cccc(CNc3ccc([N+](=O)[O-])c4ccccc34)c2C1=O 72112169 KEQYAJRFPIOSLV-UHFFFAOYSA-N 361.357 3.586 5 1 FHBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)nn1CC(F)(F)F 587091795 JBMKQZYUWMTGDY-UHFFFAOYSA-N 363.658 3.689 5 1 FHBF COc1cc(OCc2nc3ccc4c(c3[nH]2)CCCC4)ccc1[N+](=O)[O-] 587261988 LBWWQKXDQKGDEZ-UHFFFAOYSA-N 353.378 3.938 5 1 FHBF CN(C)CCNC(=O)c1cc(-c2ccccn2)nc2c1ccc1ccccc12 1857613786 VYHBVDWDQGMTHL-UHFFFAOYSA-N 370.456 3.741 5 1 FHBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c(F)c1 103177671 XRLKRLRQZHZGFH-UHFFFAOYSA-N 364.276 3.554 5 1 FHBF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82216961 LIONMOIMBQPHBO-CYBMUJFWSA-N 371.441 3.792 5 1 FHBF O=[N+]([O-])c1ccc(OC2[C@H](n3ccnc3)CCC[C@H]2n2ccnc2)c(F)c1 40393362 SMWAWEDWJSOCAH-HZPDHXFCSA-N 371.372 3.541 5 1 FHBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587167758 RKYOUAJLXFDTJW-OAHLLOKOSA-N 369.356 3.979 5 1 FHBF CC1CCC(c2ccc3oc4nc(N)c(C(=O)O)cc4c(=O)c3c2)CC1 1857772030 MTUANDHWSWYLTD-UHFFFAOYSA-N 352.390 3.915 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2[N+](=O)[O-])N1 587743450 AQWCBQGTVFNSJC-VXJOIVPMSA-N 366.190 3.515 5 1 FHBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586971916 BHNVRCUTGQQFJV-QGZVFWFLSA-N 370.434 3.582 5 1 FHBF Cc1cc(Br)cc2nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c12 587267248 HPPPSVOILCXIQO-VIFPVBQESA-N 364.203 3.656 5 1 FHBF Cc1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 587269782 OYGHRMFRSQZMRJ-UHFFFAOYSA-N 364.405 3.799 5 1 FHBF CC(C)N(C[C@H](O)Cn1c2ccccc2c(=O)c2ccccc21)C(C)C 40914980 MDRUDNDNKKHVDJ-KRWDZBQOSA-N 352.478 3.634 5 1 FHBF CC[C@@H]1OCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586914905 ZNXXYOILTYXTBU-KCJUWKMLSA-N 354.204 3.906 5 1 FHBF N[C@@H](N=O)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587270254 KWUFXVIZXKDXDC-SFHVURJKSA-N 374.360 3.924 5 1 FHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H]1C[N+](=O)[O-] 587263059 JYCXRBHRKPAVQS-JEZHCXPESA-N 356.209 3.530 5 1 FHBF CN1C[C@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)O[C@H]2CCCC[C@H]21 473113869 HQYSPNZMRLTJSN-QHAWAJNXSA-N 368.433 3.680 5 1 FHBF Cc1c(-c2nc3c([N+](=O)[O-])cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587030105 XYIPZXQFCODHGF-UHFFFAOYSA-N 367.390 3.621 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)[C@H](O)CN(CCCCCc1ccccc1)CC2 1857762740 JXXFBOLXJCMBFX-OAQYLSRUSA-N 354.450 3.899 5 1 FHBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2cccc([N+](=O)[O-])c2C1 587470558 LBMYMYSRNRXAKQ-HXUWFJFHSA-N 353.374 3.756 5 1 FHBF CC(C)C[C@]1(c2cccc([N+](=O)[O-])c2)c2ccsc2CCN1C(N)=O 962701432 ATIIVMYIKYYVNT-SFHVURJKSA-N 359.451 3.883 5 1 FHBF COc1cc(OC[C@@H]2CO2)cc2c1c(=O)c1cc3ccccc3cc1n2C 45299660 GTHUKXKFZVELCW-MRXNPFEDSA-N 361.397 3.631 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3ccc([N+](=O)[O-])cc3CC1)O2 587388974 IJDCRZGBMXUNEP-FQEVSTJZSA-N 352.390 3.768 5 1 FHBF Cc1ccc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2c1 586926198 MCGMJDMNVDKMDR-UHFFFAOYSA-N 365.798 3.503 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(F)c(F)cc2[nH]1 587265218 PURDCFLDPCZZJP-ZETCQYMHSA-N 363.280 3.831 5 1 FHBF Cc1ccc2c3c(cc(Cn4cc([N+](=O)[O-])cn4)nc13)-c1ccccc1C2=O 587097484 JFJLYKPEFNXOPU-UHFFFAOYSA-N 370.368 3.908 5 1 FHBF COc1ccc(C)cc1NCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587228392 CCDZWSKEGJXPTA-UHFFFAOYSA-N 358.373 3.972 5 1 FHBF Cc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])o2)n1C1CCCCCCC1 1857766196 OHZYCVWUQCSPJA-UHFFFAOYSA-N 374.441 3.951 5 1 FHBF CN1C[C@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)O[C@@H]2CCCC[C@@H]21 473113866 HQYSPNZMRLTJSN-PWRODBHTSA-N 368.433 3.680 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C(C)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472777 MUZDFTUNMODOAK-HXUWFJFHSA-N 369.373 3.703 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])cn2)N1 587751764 OOULDIBEPXYALY-AYVTZFPOSA-N 366.190 3.515 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 587159610 UTDSTWHZXHDJLL-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF COc1ccc([C@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587938143 TVTNBHOGZKDTBW-JDNHERCYSA-N 361.785 3.970 5 1 FHBF Cc1cc(Br)c2[nH]c([C@H](C)n3ncc([N+](=O)[O-])c3C)nc2c1 587267244 HMNAZMZITCHLJY-VIFPVBQESA-N 364.203 3.656 5 1 FHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Cl)cc1 587644885 PUPZXMKNAUGKRA-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF C[N+]1(C)CCCCC12CCN(C(=O)c1cccc(Br)c1)CC2 1857578004 SEBCFUXDJVYVFB-UHFFFAOYSA-N 366.323 3.684 5 1 FHBF CC1(C)O[C@@](C)(c2ccccc2)c2nnc(-c3cccc([N+](=O)[O-])c3)nc21 27549692 VHOYHIAOJGIJAS-FQEVSTJZSA-N 362.389 3.976 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3cccc(F)c3)c1)C2 45300326 UJXRQRQMXGEGIN-KRWDZBQOSA-N 369.352 3.575 5 1 FHBF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccncc23)cc1 26941779 UQWKXVRTJXRWDL-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF COc1ccc(OCCOc2ccc3nc4ccc(=O)cc-4oc3c2)cc1 199627599 GJSIPFPHFHPBSW-UHFFFAOYSA-N 363.369 3.759 5 1 FHBF CC[N@+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253668202 WMQSUNYBOBDAGR-FDDCHVKYSA-N 368.453 3.623 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586916146 KSDHGJNLLACAHD-ORAYPTAESA-N 351.362 3.688 5 1 FHBF CCCC/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719469 QNRANBVANXKCIX-KGVXHEBISA-N 373.409 3.726 5 1 FHBF CCSc1c(C)on(C(=O)N(c2cccc([N+](=O)[O-])c2)C(C)C)c1=O 103286590 DQHNYNRMSIHBAM-UHFFFAOYSA-N 365.411 3.653 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434785 ZQCHRRKHYMMHMW-SAZGQGMLSA-N 367.401 3.988 5 1 FHBF Cc1cc(N(C)Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c([N+](=O)[O-])cc1F 587136986 NMAZKZCFYVVLRK-UHFFFAOYSA-N 373.344 3.772 5 1 FHBF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2[N+](=O)[O-])c1C 13782409 JKGIOCXEAJIYNE-UHFFFAOYSA-N 373.390 3.667 5 1 FHBF CCN(CC)CCn1[nH]c2c3ccc(O)cc3nc3c([N+](=O)[O-])ccc1c32 27527276 WXZWPFBAYZVAQH-UHFFFAOYSA-N 367.409 3.626 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O 587419414 LOFIXNAFWNIPLZ-SCLBCKFNSA-N 359.765 3.920 5 1 FHBF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391722 XRMSWGSSHLONTN-HXUWFJFHSA-N 370.405 3.937 5 1 FHBF COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3C1=C2C)OCO4 263602674 MPJGYMGKMSWAGP-HSZRJFAPSA-N 366.437 3.837 5 1 FHBF NNC1=N[C@@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857609688 KZJCTJDCSOLBSE-ZDUSSCGKSA-N 373.825 3.797 5 1 FHBF O=[N+]([O-])c1ccc(Cn2cc(COc3ccc4ccccc4c3)nn2)cc1 1772643720 YKPAYYBJDLLTJE-UHFFFAOYSA-N 360.373 3.967 5 1 FHBF CCCC/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 36185126 BEXZJJQVPWJPOA-DKRLNXSXSA-N 373.409 3.512 5 1 FHBF in-vitro O=C1N[C@H](C(=O)O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 85591858 LYSTWLDKIFYXOG-IBGZPJMESA-N 355.353 3.825 5 1 FHBF in-vitro O=[N+]([O-])c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979161 IKHLRCWZITYKBO-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF COc1c([N+](=O)[O-])cc(C)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587391815 ZJJGYMFCPARABL-IBGZPJMESA-N 356.378 3.683 5 1 FHBF O=c1c2ccccc2sc2ccc(NCCCN3CCOCC3)cc12 12476970 DKJYJIVDXWYERO-UHFFFAOYSA-N 354.475 3.549 5 3 FHBF O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c12 49785909 RIOKGIAUZLEJON-OLZOCXBDSA-N 371.483 3.670 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586916347 LPNSJDAYLAOHRW-BLVKFPJESA-N 369.352 3.827 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2c1 587092760 GUDVRIFDXGPLGX-UHFFFAOYSA-N 355.301 3.583 5 1 FHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587274780 SOGBTUCNJXRAJB-ZETCQYMHSA-N 357.267 3.629 5 1 FHBF Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc2cc1[N+](=O)[O-] 587173872 BVKQSOQCAITPFG-ZDUSSCGKSA-N 353.357 3.642 5 1 FHBF COc1cc(-c2nc3ccc4ncccc4c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260795 FQHCIKAQXKLOGU-UHFFFAOYSA-N 350.334 3.704 5 1 FHBF COc1cc(OC)c2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2c1 587140323 ZBFOERZZBRQBNF-UHFFFAOYSA-N 351.721 3.948 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(OC)c1)CC2=O 587473576 XWZIDUQCICEQTO-KRWDZBQOSA-N 357.362 3.968 5 1 FHBF C[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157068 RWPPGGTXJJFSJI-QGZVFWFLSA-N 358.304 3.540 5 1 FHBF COc1cncc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c12 586979509 DTDPLLLEKDAHIK-UHFFFAOYSA-N 363.171 3.613 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1cc4c([N+](=O)[O-])cccc4cn1)[C@@H](C2)C3=O 587431722 QPECSDKUDXRCLW-XOBRGWDASA-N 362.341 3.640 5 1 FHBF CC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511011 CUTFVLKFHCJMJC-NRFANRHFSA-N 365.385 3.923 5 1 FHBF Cc1ccc([C@@H](NCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 28474236 NFHMMHNGSWMASR-FQEVSTJZSA-N 350.422 3.787 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)nn2)c1 587270177 RJAMTPMGVWPVLE-UHFFFAOYSA-N 360.377 3.598 5 1 FHBF CC[C@@]1(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 587961210 QOBZVVZQDNAHOZ-IBGZPJMESA-N 350.378 3.634 5 1 FHBF O=C(NC1CCCCC1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 2965659 VUGITMPFLSBUNQ-UHFFFAOYSA-N 355.825 3.564 5 1 FHBF CC[C@H](C)CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 26574863 DTVBGUMLZSCRSX-AWEZNQCLSA-N 351.406 3.825 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ncccc2[N+](=O)[O-])N1 587743435 AQWCBQGTVFNSJC-ANRSDYALSA-N 366.190 3.515 5 1 FHBF C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875902 VBXKTDFLLLOFRM-JTQLQIEISA-N 369.308 3.811 5 1 FHBF C[C@H]1C(=O)[C@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169296495 IVZWWWWEWLNVOI-VVDPLQPHSA-N 369.377 3.730 5 1 FHBF Cc1cc2c(c(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])c1)NCCC2 1642739 JYEHSMOFQIEQPL-UHFFFAOYSA-N 366.826 3.748 5 1 FHBF O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 73168671 CHAVJVJKDIGWRD-UHFFFAOYSA-N 371.374 3.708 5 1 FHBF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587647340 WORMDTSAXOKADT-UHFFFAOYSA-N 361.398 3.655 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587167791 DVIKISWDUXASDX-UHFFFAOYSA-N 364.340 3.735 5 1 FHBF COc1c(O)ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1[N+](=O)[O-] 587511855 SVYZYLRWVWWPJP-QGZVFWFLSA-N 369.373 3.894 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@H]2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587337608 BRVMVPKPRSGXFF-HBFSDRIKSA-N 371.364 3.848 5 1 FHBF COc1ccc2c(c([C@H]3NCCc4ccc(F)c(C)c43)cn2C)c1[N+](=O)[O-] 962299599 OVLPBFCHRICYBX-LJQANCHMSA-N 369.396 3.778 5 1 FHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnccc2[nH]1 587055317 OMHQOPRSEPWAGO-OAHLLOKOSA-N 373.800 3.647 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(F)cc2[nH]1 587263165 KJJVYEGEKFTZAT-JTQLQIEISA-N 373.340 3.961 5 1 FHBF NC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccc([N+](=O)[O-])cc1 103215868 NWKGSAQRDLKUHD-LJQANCHMSA-N 360.373 3.978 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(OC)c1O)CC2=O 587472305 FZIKPLCDZMKLLG-MRXNPFEDSA-N 373.361 3.674 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C)cnc2[nH]1 587261951 FGBVYOBZMXSDCK-NSHDSACASA-N 370.365 3.526 5 1 FHBF COc1cc(O)c2c(=O)c3c4c(c(OC)cc3oc2c1)OC(C)(C)C=C4 14768906 VJQQKGVGBUMANP-UHFFFAOYSA-N 354.358 3.853 5 1 FHBF biogenic O=C(c1cc(F)c(F)c(F)c1[N+](=O)[O-])c1coc2cc([N+](=O)[O-])ccc12 587280101 IZOOZBVXMNMKKJ-UHFFFAOYSA-N 366.207 3.898 5 1 FHBF CCOC(=O)c1ccc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2c1 587261841 IZTLLQVHVCYQBY-UHFFFAOYSA-N 369.377 3.578 5 1 FHBF COc1c(OC)c(CC=C(C)C)c2c(=O)c3c(O)cccc3oc2c1O 169428163 GVVGGAGBHDWQCK-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF O=c1c2ccccc2n(C[C@@H](O)CN2CCCCC2)c2c(Cl)cccc12 49582970 TXUQIVCNJMPUTF-HNNXBMFYSA-N 370.880 3.655 5 1 FHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(Cl)cc2[nH]1 587117884 XJWUURGZWQIMSL-UHFFFAOYSA-N 359.695 3.697 5 1 FHBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586885346 BXJAZBFXSRKBCQ-HWPZZCPQSA-N 356.338 3.525 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434252 SCIJWKUCJSHDGT-YWZLYKJASA-N 353.374 3.661 5 1 FHBF CN(C)CCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12 29554005 PMGLBIYQPSZSII-UHFFFAOYSA-N 361.367 3.698 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586916844 OYRCZFFXHWUODH-KUHUBIRLSA-N 351.362 3.688 5 1 FHBF O=S(=O)(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C1CCCC1 586924633 SLDDDSVBMDSHPW-UHFFFAOYSA-N 366.446 3.517 5 1 FHBF Nc1nc2oc3cc(F)c(/C=C/C4CCCC4)cc3c(=O)c2cc1C(=O)O 1857650251 WVBFHVCWQUYVHN-AATRIKPKSA-N 368.364 3.964 5 1 FHBF Cc1ccccc1OCCCOc1ccc2c(O)c([N+](=O)[O-])c(=O)oc2c1 143695220 OMFPDVLEQWKJEL-UHFFFAOYSA-N 371.345 3.563 5 1 FHBF Cc1cc2[nH]c([C@@]3(C)C=C(c4ccccc4F)NO3)nc2cc1[N+](=O)[O-] 587154027 BQLYPPQRHTXPCI-GOSISDBHSA-N 354.341 3.710 5 1 FHBF CC(C)(SCC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 586959019 KWWKEXRSCZSZJJ-UHFFFAOYSA-N 352.419 3.712 5 1 FHBF Cc1nc([N+](=O)[O-])cn1C[C@H](CNc1ccccc1)Nc1ccccc1 103196559 UHPDYNPCIOCOOG-SFHVURJKSA-N 351.410 3.693 5 1 FHBF COCCNc1ccc(-c2nc3ccc(OC(C)C)cc3[nH]2)cc1[N+](=O)[O-] 587265187 MEZXKAPZYCUEOI-UHFFFAOYSA-N 370.409 3.984 5 1 FHBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577910 URRHIZUENRTESY-WSXQUGQNSA-N 371.389 3.948 5 1 FHBF COc1cc2c3c(c4cccc(O)c4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 66259389 MWKXLFPXHWWBIA-KSFYIVLOSA-N 365.429 3.727 5 1 FHBF COc1ccc2c(ccc3c(CCN(C)C)cc4c(c32)OCO4)c1OC 14826910 PXFJQKXPKUGMSJ-UHFFFAOYSA-N 353.418 3.843 5 1 FHBF biogenic CCOC(=O)c1c(N)sc(Br)c1-c1cccc([N+](=O)[O-])c1 13518399 WPOAWHRKIDSPCN-UHFFFAOYSA-N 371.212 3.845 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587267818 RMKJSMNIZCWJHU-NSHDSACASA-N 373.376 3.682 5 1 FHBF COC(=O)c1cccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c12 587270663 PZRDCTLQUJQJSY-UHFFFAOYSA-N 374.356 3.987 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)nn2)c1 587270693 YRUQRPXITPXWQK-UHFFFAOYSA-N 358.720 3.511 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587012444 JOICSHLGUDYBDR-UHFFFAOYSA-N 366.200 3.630 5 1 FHBF CN(C)C(=O)c1ccccc1Sc1cc(N)c(Cl)cc1[N+](=O)[O-] 13491687 OXRWXRTYMZEFKF-UHFFFAOYSA-N 351.815 3.683 5 1 FHBF COC(=O)c1cc2cc(OC)c(OC)cc2nc1-c1ccc([N+](=O)[O-])cc1 14944893 ZHROVCLRKOLMGN-UHFFFAOYSA-N 368.345 3.614 5 1 FHBF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[N+](C)([O-])CC1 27996140 CLKSKUPMCRUICP-UHFFFAOYSA-N 360.458 3.845 5 1 FHBF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587391721 XRMSWGSSHLONTN-FQEVSTJZSA-N 370.405 3.937 5 1 FHBF CCOc1ccc(C(=O)CN2[C]3C=CC(C)=CN3C=C2C)cc1[N+](=O)[O-] 2356865114 GXHFXKBATURJPX-UHFFFAOYSA-N 354.386 3.618 5 1 FHBF C[C@](O)(CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 28022506 ZAIDIBQWPGBCIZ-INIZCTEOSA-N 366.826 3.730 5 1 FHBF Cc1cnc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174398 OJWSZOUHXKDRCY-UHFFFAOYSA-N 351.366 3.615 5 1 FHBF COc1cc2c3c(c1)O[C@@]1(CCc4ccc([N+](=O)[O-])cc4CC1)[C@@H](C2)C3=O 587432304 JFJUCQYIPLSGMT-LAUBAEHRSA-N 365.385 3.669 5 1 FHBF CS(=O)(=O)c1ccc(-c2cncc(Nc3cccc([N+](=O)[O-])c3)c2)cc1 45196070 LSNJZASQHAKOMO-UHFFFAOYSA-N 369.402 3.804 5 1 FHBF O=[N+]([O-])c1cn2c(n1)O[C@@H](COCc1ccc(Oc3ccccc3)cc1)C2 1772625435 OYOIBWFFKOZQJZ-QGZVFWFLSA-N 367.361 3.561 5 1 FHBF c1cnc2c(c1)c1nc(Cc3csc4nccn34)[nH]c1c1cccnc12 587040872 TWPUXINNQSAKRL-UHFFFAOYSA-N 356.414 3.959 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])cc(OC)c1O)CC2=O 587473361 SOENOUZCZQJZRL-INIZCTEOSA-N 373.361 3.674 5 1 FHBF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cnccc23)cc1 5138686 JMHPKRCWQJFXNS-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF CN(C)CCNc1c2c3cc(C(=O)O)ccc3nc-2n(C)c2ccccc12 103146988 LKNRSLQLDNBEGC-UHFFFAOYSA-N 362.433 3.503 5 1 FHBF COc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261147 WAXNALHEIVVMBF-UHFFFAOYSA-N 368.271 3.569 5 1 FHBF Cn1cnc2cnc3sc4c(=O)n(-c5ccc(Cl)cc5)cnc4c3c21 28827141 TUWFZAWPLYDRPS-UHFFFAOYSA-N 367.821 3.536 5 1 FHBF Cn1c2ccccc2c2c3c(c4c5ccc(F)cc5[nH]c4c21)C(=O)NC3=O 3988975 IYXMIIKETGSAHU-UHFFFAOYSA-N 357.344 3.989 5 1 FHBF CCNc1cc2c(cc1[N+](=O)[O-])C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 103287593 ONUXBQZXKGLNNH-MISYRCLQSA-N 374.437 3.850 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cccc(Br)c2[nH]1 587267177 GJHHYWNTGVBVTF-UHFFFAOYSA-N 364.203 3.602 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 587270011 UXRHCXAPVCNXTI-UHFFFAOYSA-N 367.148 3.564 5 1 FHBF Nc1cccc(C(=O)O)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587250875 UJRNVUXIFNSFPT-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF CCCCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 169348088 PLVMESFOIKWDPG-SFHVURJKSA-N 373.365 3.606 5 1 FHBF Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)c1ccccc1F 28466760 CRNGNLFPGORTLU-IBGZPJMESA-N 354.385 3.618 5 1 FHBF C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1CC(OC(=O)c1ccccc1)C2 66166946 UOBMQJGLFUHOEX-JUVJEOJQSA-N 366.481 3.717 5 1 FHBF in-vitro CS(=O)(=O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586925068 FONXSOYAGLFWAF-UHFFFAOYSA-N 374.425 3.730 5 1 FHBF O=c1c2ccccc2[nH]c2cc(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)c12 49785908 RIOKGIAUZLEJON-CHWSQXEVSA-N 371.483 3.670 5 1 FHBF Cc1c(Br)cnc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc12 587160408 QYPGUIHOSWIVTE-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF Cc1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1[N+](=O)[O-] 587041438 NSQGUFMBDFPZDG-RDJZCZTQSA-N 354.435 3.726 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587269526 DCXXRWMZGJSRQA-LBPRGKRZSA-N 350.300 3.732 5 1 FHBF COc1cc(-c2snnc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 28820945 SXTFBZAQZKZUSZ-UHFFFAOYSA-N 373.390 3.806 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587269202 IIMNJSKQCAXJSR-UHFFFAOYSA-N 362.305 3.503 5 1 FHBF COc1cc2c3c(c1)O[C@](C)([C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434784 ZQCHRRKHYMMHMW-PTPDTQQLSA-N 367.401 3.988 5 1 FHBF CCOC1(OCC)[C@@H]2c3cc([N+](=O)[O-])ccc3[C@@H]([n+]3ccccc32)C1(C)C 27517375 SKRRLOCBWJERQK-RTBURBONSA-N 369.441 3.726 5 1 FHBF COc1ccc2c(CN3CCC[C@H]3CO)cc3cc4c(cc3c2c1)OCO4 28706140 MUGBUMZPPNMDIT-INIZCTEOSA-N 365.429 3.687 5 1 FHBF Brc1cccc(-c2nnc3nnc4c5ccccc5[nH]c4n23)c1 98085379 PLABNBFYFPLYPK-UHFFFAOYSA-N 365.194 3.583 5 1 FHBF COc1ccc2nc3c4ccccc4c(=O)cc-3n(CCCN(C)C)c2c1 206607021 GWOKAJPKRJZCMY-UHFFFAOYSA-N 361.445 3.615 5 1 FHBF COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)C(=O)C=N3 238756757 RMMMOWYAEPEETH-UHFFFAOYSA-N 351.358 3.926 5 1 FHBF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260818 HBXBKKKZDUYUFJ-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1cc([N+](=O)[O-])ccc1Cl)[C@@H](C2)C3=O 587420107 GIYYMTSADWYMSQ-UGSOOPFHSA-N 359.765 3.920 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(C(=O)c1ccc([N+](=O)[O-])cc1)CC2=O 587473389 TVWNFNXRCBLVBE-FQEVSTJZSA-N 369.373 3.860 5 1 FHBF CC[C@]1(CC[C@H](C)[N+](=O)[O-])c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962640579 WWKMBPNDCHQVAI-KSMMKXTCSA-N 350.459 3.631 5 1 FHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCc2ccc([N+](=O)[O-])cc21 963608366 KTQPRLZAUGRWOQ-LRTDBIEQSA-N 368.433 3.726 5 1 FHBF O=C(c1cccnc1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772649969 JEPMVHLJQFTFCJ-UHFFFAOYSA-N 368.440 3.745 5 1 FHBF C[N+](C)([O-])c1ccnc2sc3c(=O)n(C4CCCCCC4)cnc3c12 40867245 LUSCBQWWFRINMZ-UHFFFAOYSA-N 358.467 3.966 5 1 FHBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587109895 WFMWWMAJOAQLAB-UHFFFAOYSA-N 351.240 3.855 5 1 FHBF O=S(=O)(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C1CCCC1 586924018 FBNPCTKUFNUDCV-UHFFFAOYSA-N 366.446 3.517 5 1 FHBF COc1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261181 XMZRITYRIPOHAB-UHFFFAOYSA-N 357.366 3.943 5 1 FHBF CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 299851868 KZISIUZXGFMFBZ-UHFFFAOYSA-N 358.350 3.580 5 1 FHBF COc1ccc2c(c1)C[C@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)CC2 587947116 SZWMQFCGIICJBO-LLVKDONJSA-N 368.349 3.660 5 1 FHBF NCCCc1cc2cc[nH]c(=O)c2c2cc(-c3ccc(CN)cc3)ccc12 28955880 OLXNSQUIKOGYDP-UHFFFAOYSA-N 357.457 3.698 5 1 FHBF O=C(c1ccc(Cl)cc1)c1conc1C(=O)c1ccc([N+](=O)[O-])cc1 2503592 CZXZZJJKBXASOI-UHFFFAOYSA-N 356.721 3.698 5 1 FHBF COc1cc2cc(CN)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 40380748 YECYUUCVAKFTIL-UHFFFAOYSA-N 362.385 3.746 5 1 FHBF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587094397 RGKVCFVEHAEHIE-VIFPVBQESA-N 373.338 3.789 5 1 FHBF COC(=O)c1cccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269837 RHGCPAAOROZDGI-UHFFFAOYSA-N 366.377 3.525 5 1 FHBF O=C(O)[C@@H](Cc1ccccc1)NCc1ccc2ccc3cccnc3c2n1 28640877 ANHAJXKXUZPVCP-LJQANCHMSA-N 357.413 3.569 5 1 FHBF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1[N+](=O)[O-] 82157401 RMDJFHZTBQLJGZ-FQEVSTJZSA-N 361.357 3.987 5 1 FHBF CCNCCO[C@@H]1Cn2cc(C=O)c3ccc4c5ccccc5n(c4c32)C1 473154278 GBTIFMWNNBFGKT-MRXNPFEDSA-N 361.445 3.570 5 1 FHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587268569 FDXMCXDNYGAMQB-UHFFFAOYSA-N 355.251 3.636 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccncc2[N+](=O)[O-])N1 587751756 OMEMKEMDCZJBTA-VXJOIVPMSA-N 366.190 3.515 5 1 FHBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 963237148 HETOEHAWKNBHGO-BTYIYWSLSA-N 368.433 3.774 5 1 FHBF O=[N+]([O-])c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)c(F)c1 66077116 MHPKAHJZKZUWIJ-OALUTQOASA-N 353.353 3.914 5 1 FHBF Cc1nc2ccccc2n1Cc1nnc(Nc2ccc([N+](=O)[O-])cc2)s1 653834533 IZGFAEYWMSXZKK-UHFFFAOYSA-N 366.406 3.896 5 1 FHBF COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c3n2)cc1 28957909 YJPWMFBYTPUIPL-GORDUTHDSA-N 367.317 3.936 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 587269020 HGNFRBWHRWSAKU-UHFFFAOYSA-N 367.148 3.564 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1cc([N+](=O)[O-])c(Cl)s1)[C@@H](C2)C3=O 587448989 ABALCGAEBXTOEC-FVMDXXJSSA-N 365.794 3.981 5 1 FHBF O=[N+]([O-])c1ccccc1O[C@@H](CCn1ccnc1)COc1ccccc1 45393526 AZIAGXWDLBETEL-KRWDZBQOSA-N 353.378 3.708 5 1 FHBF CC[C@H]1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 13151790 HWXXVUJFLTWVEW-SCTDSRPQSA-N 369.377 3.874 5 1 FHBF COc1cccc([C@H](C)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587930408 HVRMCPXCDDHMIH-SNVBAGLBSA-N 356.338 3.734 5 1 FHBF Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)c1cccc(F)c1 28466612 MQCGFBUSTYGMRB-LJQANCHMSA-N 354.385 3.618 5 1 FHBF COCCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 40950707 OPXFLLCHAFIRFM-UHFFFAOYSA-N 366.525 3.960 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587269453 CISQYRKBJSZOAM-LBPRGKRZSA-N 366.299 3.612 5 1 FHBF COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12 29043475 XRNVRWIQRZYNCK-UHFFFAOYSA-N 365.385 3.892 5 1 FHBF CCCCNc1ncc(C(=O)N[C@@H](C)CC)c(-c2cccc([N+](=O)[O-])c2)n1 82135591 KWPHILWBMSGTMK-ZDUSSCGKSA-N 371.441 3.792 5 1 FHBF CC[C@H](C)OC(=O)C1=C(C)NC(SC)=N[C@@H]1c1cccc([N+](=O)[O-])c1 299858364 QXXZQMQZGXHZGR-ZUZCIYMTSA-N 363.439 3.574 5 1 FHBF Cc1cc2[nH]c([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c(C)n1 587265970 VEQIQUVSNPRJIJ-JTQLQIEISA-N 356.342 3.564 5 1 FHBF CCCc1c(OCc2ccc(C(=O)O)cc2[N+](=O)[O-])ccc(C(C)=O)c1O 27898169 BMMQUHPFGKJQGJ-UHFFFAOYSA-N 373.361 3.733 5 1 FHBF NCCCCc1ccc2c(c1)-c1[nH]c3ccc([N+](=O)[O-])cc3c1CC(=O)N2 87722282 XLUORARJPDKQIA-UHFFFAOYSA-N 364.405 3.519 5 1 FHBF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587646322 NYHYHOPKLMBIHG-UHFFFAOYSA-N 360.272 3.920 5 1 FHBF CCOc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468577 HVCHTSBUUPXZAX-AUUYWEPGSA-N 369.377 3.763 5 1 FHBF COc1cc(OC)c2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1 587269022 HGSSYZJSKPKZAE-UHFFFAOYSA-N 368.393 3.756 5 1 FHBF Cc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Cl 587270757 ZZIJZYWOWGYJJP-UHFFFAOYSA-N 354.757 3.681 5 1 FHBF COc1ccc2c(c1OC)c(=O)oc1c3cc4c(cc3ccc21)OCO4 3645234 AOYQXCYLRJFNFX-UHFFFAOYSA-N 350.326 3.845 5 1 FHBF biogenic O=[N+]([O-])c1cccnc1Oc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963340737 HRADCZYVHRTSKB-IBGZPJMESA-N 363.373 3.723 5 1 FHBF CCN(CC)CCNc1ccc2c(=O)c3cc(F)c(OC)cc3[nH]c2c1 1857565828 QFRYQONRCVQFPV-UHFFFAOYSA-N 357.429 3.583 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1[N+](=O)[O-] 587151265 GXEGSMJKEHXZEU-IUCAKERBSA-N 360.276 3.929 5 1 FHBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1C(F)(F)F 169718597 LJBWEBKKYMAFTF-OCAPTIKFSA-N 352.268 3.956 5 1 FHBF CCCOc1c([N+](=O)[O-])c2n(c1C)CCN2Cc1ccc(Cl)nc1 103185819 SZHUCQGVJJDTKF-UHFFFAOYSA-N 350.806 3.562 5 1 FHBF Cc1cc(N(C)Cc2nc3cc(F)c(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136309 DCDYCSKKJCVRDJ-UHFFFAOYSA-N 368.290 3.972 5 1 FHBF NS(=O)(=O)c1cc2nc(-c3ccccc3)n3c4ccccc4oc(c1)c23 95589828 LHLUIAUCIXBUEA-UHFFFAOYSA-N 363.398 3.548 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc([N+](=O)[O-])c1O)CC2=O 587466003 LEHGCOWYNUIGTG-HNNXBMFYSA-N 361.325 3.804 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O)c1[N+](=O)[O-])CC2=O 587472947 OUWQWVQBEJLGFE-IBGZPJMESA-N 357.362 3.839 5 1 FHBF C[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)n1cc(Cl)cn1 587080446 VLSPCLUIEAZVGK-ZCFIWIBFSA-N 370.594 3.693 5 1 FHBF O=[N+]([O-])c1cccc([C@@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)c1 963343435 VZXCKWKCGLICNL-OAQYLSRUSA-N 364.376 3.877 5 1 FHBF CCCN(CCC)C(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 1616949 ZHDIAMKTJDJHLW-UHFFFAOYSA-N 363.292 3.784 5 1 FHBF O=[N+]([O-])c1ccc2oc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc2c1 963107097 OMHZUXHHIHEXHU-UGSOOPFHSA-N 353.353 3.985 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3cc(Cl)[nH]c23)cc1 28230940 LCIQSUCDQBZZNG-UHFFFAOYSA-N 351.771 3.530 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1[N+](=O)[O-] 587080159 LDVWGFIVPQGWCB-CQSZACIVSA-N 360.713 3.709 5 1 FHBF O=S(=O)(Nc1ccc2nc(O)c3ccccc3c2c1)c1cccs1 1857543568 NMSGNRLUBXXLHJ-UHFFFAOYSA-N 356.428 3.956 5 1 FHBF COc1cc(C[C@@H](O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 1857760451 SFWYOLKSBFGSBQ-CQSZACIVSA-N 371.311 3.907 5 1 FHBF CN(C)CCNC(=O)c1cc2c3ccccc3[nH]c2c2cc(N(C)C)ccc12 73129375 RGKWFQZZHTWECM-UHFFFAOYSA-N 374.488 3.832 5 1 FHBF Cc1c(-c2nc3cnc(Cl)[nH]c-3n2)cc(Br)cc1[N+](=O)[O-] 586980336 VILYYWNZELLZBD-UHFFFAOYSA-N 368.578 3.604 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C)nc2[nH]1 587262803 IAPXVMVNEJGYHQ-NSHDSACASA-N 370.365 3.526 5 1 FHBF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c1C 587644843 DCRGMQPUAKDBLB-UHFFFAOYSA-N 366.299 3.851 5 1 FHBF CCOC1=N[C@H]2Nc3ccccc3N(CC)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 2459135 UAQZWRNKNOENHM-GBESFXJTSA-N 366.421 3.774 5 1 FHBF COc1cc(OC)c2c(C3CCNCC3)nc3c(OC)cccc3c2c1 1911577827 IRVZACWCHIPXKH-UHFFFAOYSA-N 352.434 3.881 5 1 FHBF C[N@@+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 254120913 UOBMQJGLFUHOEX-KVZQYWQLSA-N 366.481 3.717 5 1 FHBF in-vitro COc1cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)nn1-c1ccccc1F 587155204 BHFJVCPVFMFTJT-UHFFFAOYSA-N 367.340 3.780 5 1 FHBF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587041004 SHASGDJEHYTETK-LBPRGKRZSA-N 368.390 3.593 5 1 FHBF C[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277173 PYSXRLDMUBBJIO-ZCFIWIBFSA-N 370.594 3.693 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc([N+](=O)[O-])c1C 587872491 YOKIIOFMIUNUSD-UHFFFAOYSA-N 369.352 3.993 5 1 FHBF O=[N+]([O-])c1ccc([S@](=O)(=NSC(F)(F)F)N2CCCC2)cc1 1857578034 YMFDGZHDNRZKDC-QFIPXVFZSA-N 355.363 3.601 5 1 FHBF O=[N+]([O-])c1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Cl 586924141 IWYZSEXFSJUAFX-VOTSOKGWSA-N 363.782 3.569 5 1 FHBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(F)c(Br)n3)nc2cc1F 587156140 WKOMLGPTRHYMAU-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF Nc1c2c(nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc13)CCCC2 45190687 OFMVHYYVPBZCQR-UHFFFAOYSA-N 362.389 3.856 5 1 FHBF CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc3c[nH]nc3c2c1-c1ccccc1 96910266 SGIMXBZAYRXHNE-UHFFFAOYSA-N 350.334 3.796 5 1 FHBF O=[N+]([O-])c1ccccc1CSc1nnc(-c2ccc3c(c2)OCCO3)o1 73195874 MRRWZFFMQVVMGU-UHFFFAOYSA-N 371.374 3.708 5 1 FHBF CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@@H]1c1ccc([N+](=O)[O-])o1 169348076 DHJCKQGXKHQASD-CQSZACIVSA-N 370.148 3.734 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc([N+](=O)[O-])cc1)O2 587389961 OJIBUZQWPCWGNK-LJQANCHMSA-N 363.373 3.983 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccc([N+](=O)[O-])c4cccnc14)[C@@H](C2)C3=O 587432026 SZEPZWWETDSCFT-VBKZILBWSA-N 362.341 3.640 5 1 FHBF O=[N+]([O-])c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 587120097 QVLAZAYIXOAPKD-UHFFFAOYSA-N 365.315 3.614 5 1 FHBF O=[N+]([O-])c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995595 IZNRTCKKOHGOAR-UHFFFAOYSA-N 361.199 3.888 5 1 FHBF O=C(NCCc1nc(-c2ccc(F)cc2)cs1)c1cccc([N+](=O)[O-])c1 653848326 USOLQGMONVYJCS-UHFFFAOYSA-N 371.393 3.830 5 1 FHBF O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccccc4)CC3)s2)s1 28523312 KZYHVUCYDQYTBN-UHFFFAOYSA-N 373.463 3.501 5 1 FHBF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@@]1(C)c1ccc([N+](=O)[O-])cc1 49054289 QOLYDDJNVONZFZ-KRWDZBQOSA-N 374.422 3.588 5 1 FHBF C[N@@+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 263621099 UOBMQJGLFUHOEX-HZQHDGKWSA-N 366.481 3.717 5 1 FHBF in-vitro CN(C)c1ccc2nc3c4ccccc4c(=NCCC(=O)O)cc-3oc2c1 377806643 IJMUBXKGLUETHB-UHFFFAOYSA-N 361.401 3.527 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434441 VLKAFSPZFDJWLM-ORAYPTAESA-N 350.330 3.573 5 1 FHBF CCOC(=O)C[C@@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c1sc(C)c2C 963029333 RMIIPVLOEGUJRN-IBGZPJMESA-N 374.462 3.616 5 1 FHBF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccccc2[N+](=O)[O-])=NO1 12726021 QKXYRRZHXYTYGA-LJQANCHMSA-N 364.361 3.608 5 3 FHBF COc1cc2ccc3c(CCN(C)C)cc4c(c3c2cc1OC)OCO4 14593233 BXIXXVNIQCMHTA-UHFFFAOYSA-N 353.418 3.843 5 1 FHBF CC[C@@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 82135862 ZPGXSDKIQDOPOY-CHWSQXEVSA-N 371.441 3.791 5 1 FHBF NC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587243038 BQGNOXOSFCRRBF-UHFFFAOYSA-N 354.373 3.817 5 1 FHBF O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc4c(c3)OCCO4)o2)c1 73195577 MWNMQBCLGQXSCM-UHFFFAOYSA-N 371.374 3.708 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1[N+](=O)[O-] 586897320 AKFXDVMSTOPJIB-UHFFFAOYSA-N 354.322 3.631 5 1 FHBF O=[N+]([O-])c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127524 VGBYSYOFUDWYLR-UHFFFAOYSA-N 363.255 3.913 5 1 FHBF NC(=O)c1c(O)c2ccc(-c3ccncc3)cc2n2c1nc1ccccc12 29337069 ATAQCERWOPPRQS-UHFFFAOYSA-N 354.369 3.507 5 1 FHBF COC(=O)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccccc1Cl 587644945 RMCQIJIEYLLIJP-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cn2)N1 587751767 OOULDIBEPXYALY-VXJOIVPMSA-N 366.190 3.515 5 1 FHBF Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1C(=S)Nc1cccc(Cl)c1 6523594 CGMADCUQYWISPT-UHFFFAOYSA-N 374.809 3.512 5 1 FHBF Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587027328 AZUFNXDONVTZQE-UHFFFAOYSA-N 370.350 3.806 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077129 QJAWWUMYLKMXNJ-OAHLLOKOSA-N 357.801 3.857 5 1 FHBF COc1cc(/C(=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)O)cc(OC)c1OC 71316019 MRYPBVPOPVOXOJ-GFQQVXNGSA-N 359.378 3.542 5 1 FHBF O=C(Nc1ccccc1)c1ccc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)cc1 587247758 SHFBMEUYWKGHJD-UHFFFAOYSA-N 359.345 3.785 5 1 FHBF Cc1cc(Br)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1F 587138095 WBEHDPWVAVNLMB-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF Cc1cc2oc3ccc(NCCCN4CCOCC4)cc3c(=O)c2cc1C 12476725 CLZUTGAUGWLKKS-UHFFFAOYSA-N 366.461 3.697 5 3 FHBF Cc1nc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)oc1C 82163581 WDSRYSPCQXOZDU-UHFFFAOYSA-N 365.393 3.924 5 1 FHBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587109328 MIAXDMZRYBZDKY-UHFFFAOYSA-N 369.230 3.994 5 1 FHBF COc1cc2c(ccc3c(CCNC(C)C)cc(O)c(OC)c32)cc1O 36440746 WAPZYOFYEJKQHC-UHFFFAOYSA-N 355.434 3.962 5 1 FHBF O=C1CCC(=O)N1c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 4684415 RSKVKLWJVZYHHN-UHFFFAOYSA-N 359.769 3.514 5 3 FHBF O=[N+]([O-])c1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 28640101 ZGCMTTQGRJYCEP-KRWDZBQOSA-N 351.410 3.548 5 1 FHBF COCCOc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587264819 KIOLSUVNESYGCG-UHFFFAOYSA-N 362.773 3.520 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])o2)N1 587754457 YVPLKBQRXZSUKB-WJWGPLDTSA-N 355.163 3.713 5 1 FHBF Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OC(=O)/C=C/c1ccc2ccccc2c1 72177590 NQSBNNDPVKPZBU-QSYFUGGGSA-N 365.389 3.898 5 1 FHBF O=[N+]([O-])c1cccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)c1 96269801 GBRFASBGKHUAKZ-QPJJXVBHSA-N 351.318 3.586 5 1 FHBF COc1ccc(/C=C/COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 34524651 KMJDWMLVIQQLOH-ALUKSYHCSA-N 369.373 3.882 5 1 FHBF Cc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1[N+](=O)[O-] 587154566 BBLFBWGFICJORW-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587008522 XQVKKCCYECCVTF-UHFFFAOYSA-N 358.155 3.777 5 1 FHBF CC[C@H](C)Nc1ncc(C(=O)N[C@H](C)CC)c(-c2cccc([N+](=O)[O-])c2)n1 82135863 ZPGXSDKIQDOPOY-OLZOCXBDSA-N 371.441 3.791 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1OC)CC2=O 587473587 YCTIWCCLQQGURR-SFHVURJKSA-N 357.362 3.968 5 1 FHBF CC(=O)Nc1cccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c1 653864022 FTKCRWKFEDHYML-UHFFFAOYSA-N 372.362 3.522 5 1 FHBF COc1cc(-c2c(C)[nH]c3c(C(=O)O)cccc23)c([N+](=O)[O-])cc1OC 587638768 VEIGPBPWFJMCQR-UHFFFAOYSA-N 356.334 3.767 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587028986 CSRZQLIZGKCGNB-UHFFFAOYSA-N 353.363 3.569 5 1 FHBF O=C(N[C@@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 587224204 QNIPWNMVIIPUBI-SFHVURJKSA-N 372.384 3.991 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 587337609 BRVMVPKPRSGXFF-NSHGMRRFSA-N 371.364 3.848 5 1 FHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Cl)cc1 587645138 XAYSOCVPGLNFNC-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587788012 YUYRJLFXPWDZDV-VXGBXAGGSA-N 355.325 3.554 5 1 FHBF Nc1nc(Nc2cccc([N+](=O)[O-])c2)ccc1C(=O)c1c(F)cccc1F 14945642 NKYBNRJDVCSSHM-UHFFFAOYSA-N 370.315 3.825 5 1 FHBF COc1ccc2c(CN3CCC(=O)CC3)cc3cc4c(cc3c2c1)OCO4 43065151 PBDSLAMOBGFRQC-UHFFFAOYSA-N 363.413 3.895 5 1 FHBF COc1ccc(Nc2nc(N)c(C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 43075793 HSRULHLLOCRMOL-UHFFFAOYSA-N 370.390 3.617 5 1 FHBF CC(=O)c1ccc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2c1 587136045 ATDJDJWAVPKNHD-UHFFFAOYSA-N 356.357 3.758 5 1 FHBF Nc1ccc(F)c(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 587141380 PTLGUKARVGLEBC-UHFFFAOYSA-N 365.162 3.546 5 1 FHBF COc1cccc2cc3c(nc12)[C@](C)(c1ccc([N+](=O)[O-])s1)NCC3 963036954 QEPZXRJAVKHMEB-SFHVURJKSA-N 355.419 3.622 5 1 FHBF COc1cc2c(cc1OC)[C@H]1Cc3ccc(OC)c(OC)c3C[N+]1(C)CC2 1092266 BMQBFTBKHPYZFM-FKSKYRLFSA-N 370.469 3.521 5 1 FHBF CCOC1(OCC)[C@H]2c3cc([N+](=O)[O-])ccc3[C@H]([n+]3ccccc32)C1(C)C 27517377 SKRRLOCBWJERQK-OALUTQOASA-N 369.441 3.726 5 1 FHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 587279826 CGBKRHMUMIAVCF-NSHDSACASA-N 368.320 3.716 5 1 FHBF CCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O 587389650 MPCXJMMXEDZZQC-INIZCTEOSA-N 372.377 3.686 5 1 FHBF O=[N+]([O-])c1cc(S(=O)(=O)CF)ccc1Nc1cc(F)cc(Cl)c1 1857631160 DSYVDJNSVVVDHM-UHFFFAOYSA-N 362.741 3.832 5 1 FHBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3C2)cc1C(F)(F)F 169718598 LJBWEBKKYMAFTF-YUMQZZPRSA-N 352.268 3.956 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ncccc2[N+](=O)[O-])N1 587746138 JGLTUXOTDSVCRH-RMLUDKJBSA-N 366.190 3.515 5 1 FHBF COc1ccc2c(c1)[C@@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)N(C(C)C)CC2 962091523 OIHMZZFCENOHDE-FQEVSTJZSA-N 366.421 3.836 5 1 FHBF O=[N+]([O-])c1c(NCc2ccc(F)cc2C(F)(F)F)ccc2nonc12 95594530 MSLKJZNCDWDMHK-UHFFFAOYSA-N 356.235 3.901 5 1 FHBF CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1cccnc1 14970304 YYEOSFROTOAGCS-UHFFFAOYSA-N 357.413 3.741 5 1 FHBF O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1Br 299856141 CESZJTPCXNFWCM-UHFFFAOYSA-N 374.194 3.928 5 1 FHBF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646435 AIZOGZNZOLNQLG-UHFFFAOYSA-N 353.378 3.519 5 1 FHBF CN1C(=O)C(=N)c2c3ccccc3c(O)c3c(Br)ccc1c23 4031277 CTKYVOOOLVPRSI-UHFFFAOYSA-N 355.191 3.805 5 1 FHBF CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccc2ccccc2c1 35323813 HJWRINIEQIUIJI-UHFFFAOYSA-N 372.402 3.699 5 1 FHBF O=[N+]([O-])c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168667 LHLAIQHUMWSRID-UHFFFAOYSA-N 364.340 3.735 5 1 FHBF CC(C)(C)c1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1 587266110 ZXJSOAVVWIYSNM-UHFFFAOYSA-N 355.354 3.663 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc([N+](=O)[O-])c14)[C@@H](C2)C3=O 587430644 KKSDCJPNIXBQJA-JEOXALJRSA-N 350.330 3.573 5 1 FHBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cccc([N+](=O)[O-])c12 587647417 HNESRHCIIJYZLR-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF Cn1ccc2ccc3c4[nH]c5ccc(F)cc5c4c4c(c3c21)C(=O)NC4=O 13534926 WCPMTUANGBJGLD-UHFFFAOYSA-N 357.344 3.989 5 1 FHBF O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1c2c2cccc3c2n1CC3 14945570 WWRRUUZFYZQGIO-UHFFFAOYSA-N 351.365 3.869 5 1 FHBF CC(C)(C)OC(=O)N[C@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)C1CCCC1 587224301 GZIUDUQDZUBHIY-ZDUSSCGKSA-N 361.402 3.622 5 1 FHBF CCN(CC)CCNc1c(C)cc(CO)c2sc3ccccc3c(=O)c12 100981288 PDOBKRYHMIXFOK-UHFFFAOYSA-N 370.518 3.969 5 1 FHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263061 JYCXRBHRKPAVQS-SZEHBUNVSA-N 356.209 3.530 5 1 FHBF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c(C)n1 587645029 HTMXDPZJZRPAON-UHFFFAOYSA-N 366.299 3.851 5 1 FHBF O=c1[nH]c(=O)c2c1c1oc3ccccc3oc1c1[nH]c3cc(O)ccc3c12 34190581 YGGJIDIWXQZWKV-UHFFFAOYSA-N 358.309 3.721 5 1 FHBF NCCN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 1772575643 LLXJFBDMISKQEE-UHFFFAOYSA-N 354.193 3.507 5 1 FHBF O=[N+]([O-])c1cnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032562 KTCXTTKNRVDWDE-UHFFFAOYSA-N 351.391 3.874 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])c(F)cc1Cl)[C@@H](C2)C3=O 587424949 YOAWRNZINKGYEV-BTDLBPIBSA-N 363.728 3.885 5 1 FHBF O=[N+]([O-])c1ccc(OC2[C@@H](n3ccnc3)CCC[C@H]2n2ccnc2)c(F)c1 101546067 SMWAWEDWJSOCAH-BYICEURKSA-N 371.372 3.541 5 1 FHBF O=[N+]([O-])c1cccc(CCc2nc3ccc(Br)c(O)c3[nH]2)c1 587270409 NZQWHEWRXPCZMZ-UHFFFAOYSA-N 362.183 3.724 5 1 FHBF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cn1 587264095 BCZSZFHHHFOCMF-UHFFFAOYSA-N 364.317 3.580 5 1 FHBF Nc1cccc(N=c2[nH]c(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1 1857628892 ZEXFCOMUPSSGCS-UHFFFAOYSA-N 357.373 3.953 5 1 FHBF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2cccc([N+](=O)[O-])c12 587645269 NMRKLDSXIPQOFS-UHFFFAOYSA-N 368.727 3.637 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc4ccccc4cc3[nH]2)cc1 586920892 UKTHVKFAXHQWDZ-UHFFFAOYSA-N 367.386 3.598 5 1 FHBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587112588 KIDXCSQMCOBIMN-LBPRGKRZSA-N 350.300 3.732 5 1 FHBF COc1cc(OCc2nc3ccc4nc(C)ccc4c3[nH]2)ccc1[N+](=O)[O-] 587262620 ZARHOMTTXHPOSN-UHFFFAOYSA-N 364.361 3.915 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c12 587017710 PCTBRPQBVWKUBL-UHFFFAOYSA-N 358.770 3.705 5 1 FHBF Cn1cccc1CN1CCc2sccc2[C@@H]1c1ccc([N+](=O)[O-])cn1 962378710 ZHQARUGEFPOEFQ-GOSISDBHSA-N 354.435 3.538 5 1 FHBF O=[N+]([O-])c1ccc2nc(CN=c3[nH]c(-c4ccccc4)cs3)[nH]c2c1 1857652701 CKSMOIQLCLKTDI-UHFFFAOYSA-N 351.391 3.629 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587267432 KOWHVMIRVCPJJU-LLVKDONJSA-N 373.376 3.682 5 1 FHBF CCCCNC(=O)c1cc(CC)sc1NC(=O)c1ccc([N+](=O)[O-])o1 95593468 VEMGZBDNDCSERA-UHFFFAOYSA-N 365.411 3.594 5 1 FHBF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2N1 587124764 OFTCXVOVBMAFBA-KRTXAFLBSA-N 366.303 3.642 5 1 FHBF CCCc1c(O)ccc2c1O[C@](CC[N+](=O)[O-])(c1ccccc1)CC2=O 587472762 MQEVYFKBJUJEGB-FQEVSTJZSA-N 355.390 3.872 5 1 FHBF Cc1ccnc2c1CCN[C@]2(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 963072683 MZIWQSFHNMTKFN-JOCHJYFZSA-N 359.429 3.930 5 1 FHBF C[C@H]1C(=O)[C@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 13151700 IVZWWWWEWLNVOI-GWIYSAMLSA-N 369.377 3.730 5 1 FHBF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587116404 FUWVOHLOMABIBZ-UHFFFAOYSA-N 363.658 3.683 5 1 FHBF COCCOc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587265212 MNWQVDFODFFLCJ-UHFFFAOYSA-N 365.748 3.956 5 1 FHBF Nc1cc(N)cc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 653850101 PPNLPPBOBCIYPY-UHFFFAOYSA-N 359.436 3.570 5 1 FHBF O=C(Nc1ccc([C@@H](O)c2ccccc2)cc1)c1cc([N+](=O)[O-])ccc1O 29217515 ZQSNNUARKACJPY-IBGZPJMESA-N 364.357 3.634 5 1 FHBF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 587787374 VBKHKHMJQITJKF-UONOGXRCSA-N 351.362 3.723 5 1 FHBF O=c1cc(N2CCN(c3ccccn3)CC2)c2ccc3ccccc3c2o1 1857544996 DSHACYUOVMPJAR-UHFFFAOYSA-N 357.413 3.668 5 1 FHBF O=c1c2cc([N+](=O)[O-])ccc2n(Cc2ccccc2)n1Cc1ccccc1 1647173 STOSUNWOWGFJLD-UHFFFAOYSA-N 359.385 3.808 5 1 FHBF O=C(O)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587109318 HPHYXDKFKXKOEY-UHFFFAOYSA-N 365.267 3.779 5 1 FHBF CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)c1ccc(C)cc1 587216650 IODOSHWCPLCPIU-OAHLLOKOSA-N 352.394 3.508 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)O2 587390078 PHKZNODLOIFHEB-QGZVFWFLSA-N 351.362 3.982 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2[N+](=O)[O-])N1 587751505 NCOURNBDFKVCKO-TURNYIBQSA-N 357.223 3.537 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)OCC[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963106078 JNVQYGSOSPBSKF-VLIAUNLRSA-N 354.381 3.781 5 1 FHBF CC[N@@+]12CCc3cc4c(cc3[C@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253639733 QEFMNEDYHHFZNB-JPYJTQIMSA-N 368.453 3.623 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc3cn[nH]c3cc2[nH]1 587109751 NEPQTKOSCALKTH-UHFFFAOYSA-N 361.283 3.957 5 1 FHBF O=Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587510395 KPMFYYBCWWDAHY-GOSISDBHSA-N 367.357 3.698 5 1 FHBF CCCCOc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1[N+](=O)[O-] 84689998 LPANIPHXDYNVBQ-UHFFFAOYSA-N 358.350 3.724 5 1 FHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264423 RNEQWBJYYFUTFQ-VGMNWLOBSA-N 356.209 3.530 5 1 FHBF Cc1cc(=O)oc2c1ccc1oc(=N)c(C(=O)N[C@H](C)c3ccccc3)cc12 653808322 FQUHBSCFHGGWQF-CYBMUJFWSA-N 374.396 3.818 5 1 FHBF COc1cccc2c1[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 13535005 JCFYIDVKZYUSKM-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF CC(C)Oc1ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2c1 587091646 HEJCNBCMEDKBMR-UHFFFAOYSA-N 369.303 3.684 5 1 FHBF CN1CCN(CCCCn2c3ccccc3c3nc4ccccc4nc32)CC1 1772644444 RTBGUXINHMYDSD-UHFFFAOYSA-N 373.504 3.765 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 587647437 IIWFGEZHQOIEMS-UHFFFAOYSA-N 355.306 3.650 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2[N+](=O)[O-])N1 587749245 CZSNBYAJUSKNEC-AYVTZFPOSA-N 366.190 3.515 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587077230 SCPLVXCARQAZDR-HNNXBMFYSA-N 360.732 3.881 5 1 FHBF NNC1=N[C@H](c2cccc([N+](=O)[O-])c2)c2sc3ccc(Cl)cc3c2N1 1857609687 KZJCTJDCSOLBSE-CYBMUJFWSA-N 373.825 3.797 5 1 FHBF C[N+]1(CCN2CCN(c3ccccc3)c3ccccc3C2=O)CCCCC1 33854399 BIWRDRRNOIHGMH-UHFFFAOYSA-N 364.513 3.911 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CCCC[C@@H]2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 587337606 BRVMVPKPRSGXFF-BJLQDIEVSA-N 371.364 3.848 5 1 FHBF COc1cc2c3c(c1)O[C@](C)([C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587434782 ZQCHRRKHYMMHMW-LBJGKRIESA-N 367.401 3.988 5 1 FHBF Cc1ccc(C)c(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2498640 GXDMJNMNWBRSGB-DNVCBOLYSA-N 353.378 3.981 5 1 FHBF NC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccc([N+](=O)[O-])cc1 103215866 NWKGSAQRDLKUHD-IBGZPJMESA-N 360.373 3.978 5 1 FHBF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586962269 CTQXTEARCPDCEO-LBPRGKRZSA-N 363.374 3.658 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C)nc2[nH]1 587262801 IAPXVMVNEJGYHQ-LLVKDONJSA-N 370.365 3.526 5 1 FHBF CCN(CC)CCn1[nH]c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32 27102668 NGKXRDOCXSTCIB-UHFFFAOYSA-N 367.409 3.626 5 1 FHBF Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc3c(cc12)CCCC3 147738151 MOVUOBWNFLWLSK-UHFFFAOYSA-N 368.418 3.918 5 1 FHBF Cc1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1[N+](=O)[O-] 587874623 GMTORTBGYIENJP-UHFFFAOYSA-N 369.308 3.731 5 1 FHBF CC(C)(C)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587265473 UQYCRKUROQFVGP-ZDUSSCGKSA-N 354.410 3.717 5 1 FHBF COc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1[N+](=O)[O-] 587388468 CEYVHOGNJGTTMY-MRXNPFEDSA-N 367.361 3.682 5 1 FHBF N=c1nc(-c2ccccc2Cl)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c[nH]1 587060435 GBTSERHITOGVBP-UHFFFAOYSA-N 366.768 3.661 5 1 FHBF CC1=NC(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)OC1CCCCCC1 169719447 DTMVWMPJOCXANI-SJORKVTESA-N 373.409 3.702 5 1 FHBF Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@+](C)([O-])[C@@H]2N3C)c1 261173960 UJPUVORABIHTSL-PTLVVNQVSA-N 367.449 3.988 5 1 FHBF CCCC/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719472 QNRANBVANXKCIX-SGUAIBKKSA-N 373.409 3.726 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 586916847 OYRCZFFXHWUODH-LIRRHRJNSA-N 351.362 3.688 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 587270120 QCNBQZLIUDKTKR-UHFFFAOYSA-N 372.344 3.782 5 1 FHBF CCOc1ccc2cc3cccc4c3c(c2c1)C(=O)N(CCN(C)C)C4=O 27555087 CVNLZNFCDRHJRT-UHFFFAOYSA-N 362.429 3.549 5 1 FHBF CCc1ccc(Nc2nn3c(-c4ccc([N+](=O)[O-])o4)nnc3s2)cc1 72177504 BHFZKBWXDVWDRN-UHFFFAOYSA-N 356.367 3.660 5 1 FHBF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(C[N+](=O)[O-])CC2=O 587472897 OFNOCLXIYPWOSX-FQEVSTJZSA-N 355.390 3.568 5 1 FHBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(=O)O 963237150 HETOEHAWKNBHGO-VFNWGFHPSA-N 368.433 3.774 5 1 FHBF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cccnc23)cc1 26941785 DDDULILOQWIBCV-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2cc1[N+](=O)[O-] 586887426 IANVLNQDOOTKDG-SGTLLEGYSA-N 350.334 3.751 5 1 FHBF C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 45211052 QSVMUXQZRHDURM-SJKOYZFVSA-N 368.355 3.868 5 1 FHBF Cn1c2ccccc2c(=Nc2ccc(S(C)(=O)=O)cc2)c2ccccc21 377466626 AFJYATQFMYTYBJ-UHFFFAOYSA-N 362.454 3.967 5 1 FHBF Cc1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1[N+](=O)[O-] 587041436 NSQGUFMBDFPZDG-NVXWUHKLSA-N 354.435 3.726 5 1 FHBF O=[N+]([O-])c1cncc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135378 YQPAYYCNLOWETF-UPHRSURJSA-N 356.210 3.732 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C(C)=O)(c1ccc([N+](=O)[O-])cc1)CC2=O 587472776 MUZDFTUNMODOAK-FQEVSTJZSA-N 369.373 3.703 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(CSc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587447888 FWQLQZZNSKOUTQ-DJJJIMSYSA-N 371.414 3.902 5 1 FHBF O=[N+]([O-])c1ccc(N2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c(F)c1 34840892 PMIWDOREMKSHLN-AWEZNQCLSA-N 355.373 3.691 5 1 FHBF CC[N@+]1(C)CC[C@@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 254209896 YSWUASFXPBRSMW-GMKZXUHWSA-N 352.498 3.860 5 1 FHBF CC[C@@H]1OCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586914906 ZNXXYOILTYXTBU-KWQFWETISA-N 354.204 3.906 5 1 FHBF C[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277099 PCIZJIDMHDQAOB-LURJTMIESA-N 359.695 3.949 5 1 FHBF c1ccc2nc3c(nc2c1)c1ccccc1n3CCNCCN1CCCCC1 1772578310 HPBZXTGDQWCHIN-UHFFFAOYSA-N 373.504 3.813 5 1 FHBF O=C1c2ccccc2C(=O)N1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1772640786 ZJCQGJBGMQDAQH-UHFFFAOYSA-N 351.343 3.519 5 1 FHBF COc1cc2c(cc3c4c(cc5c(c42)OCO5)CCN3C)c(OC)c1OC 85996670 XAHLAKBYAFHLML-UHFFFAOYSA-N 367.401 3.740 5 1 FHBF biogenic COC(=O)c1cc2c3ccccc3[nH]c2c2cn(Cc3ccccc3)c[n+]12 299844499 ASFCMTIFYJFOOK-UHFFFAOYSA-O 356.405 3.696 5 1 FHBF COc1cc(C)c(OC)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587943575 JLCYBAGBPHGTNR-UHFFFAOYSA-N 373.178 3.921 5 1 FHBF Cc1ccc(N2C[C@@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)cc1 587279800 BAHODANAVYFWFH-ZDUSSCGKSA-N 364.357 3.885 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1[N+](=O)[O-] 587036638 IDQUNVPACXFTQW-CYBMUJFWSA-N 362.392 3.820 5 1 FHBF O=[N+]([O-])c1ccc2oc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)nc2c1 963107095 OMHZUXHHIHEXHU-SCLBCKFNSA-N 353.353 3.985 5 1 FHBF CN1Cc2sc([N+](=O)[O-])cc2[C@H](c2ccc(Br)cc2)C1 38157568 FRBBJNSSTGRZOS-LBPRGKRZSA-N 353.241 3.996 5 1 FHBF O=C(NCc1ccccc1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 169328418 MBXBSIGNXBRGFD-UHFFFAOYSA-N 351.362 3.854 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587018209 YMZVRBFCDOIUNP-UHFFFAOYSA-N 365.374 3.592 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C=O)c([N+](=O)[O-])c1)CC2=O 587472382 IKEGFKSLFWDLKW-GOSISDBHSA-N 355.346 3.772 5 1 FHBF CN1C[C@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)O[C@@H]2CCCC[C@H]21 473113862 HQYSPNZMRLTJSN-NJDAHSKKSA-N 368.433 3.680 5 1 FHBF CNc1ccc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 653686936 WHDKYKFTPBSRCQ-UHFFFAOYSA-N 361.353 3.913 5 1 FHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587274779 SOGBTUCNJXRAJB-SSDOTTSWSA-N 357.267 3.629 5 1 FHBF Nc1cccc(C(=O)O)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587250461 PFPUHIZXZVRXTR-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434710 ZEPYVURJDWNIMP-VBKZILBWSA-N 364.357 3.882 5 1 FHBF NC(=O)Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587241850 JIVIHTKKVWNSDX-UHFFFAOYSA-N 354.373 3.817 5 1 FHBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(N)=O)cc2[nH]1 586969475 SQEAMPCPCCLASN-UHFFFAOYSA-N 370.434 3.985 5 1 FHBF CCOc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468575 HVCHTSBUUPXZAX-KUHUBIRLSA-N 369.377 3.763 5 1 FHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587274568 QCJUOYVAXQEORW-SSDOTTSWSA-N 357.267 3.629 5 1 FHBF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)Cc2ccc([N+](=O)[O-])cc2C1 587470243 JNZJPGXHQTYOTI-FQEVSTJZSA-N 353.374 3.756 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(F)cc3)cc1)C2 45287742 YUHTXVNVEWITGE-KRWDZBQOSA-N 369.352 3.575 5 1 FHBF CC[N@+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253668218 WMQSUNYBOBDAGR-WZONZLPQSA-N 368.453 3.623 5 1 FHBF COCCNc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587262091 NYECDCHMDAVBPB-UHFFFAOYSA-N 361.789 3.553 5 1 FHBF Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)Cl 587644948 GHOWLOIENGZDJE-UHFFFAOYSA-N 368.727 3.799 5 1 FHBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587931530 JZYLXJNVGOUSBY-ZMZPIMSZSA-N 368.349 3.833 5 1 FHBF CCCCCCOc1c(OC)cc(C(=O)OCC[N+](C)(C)C)cc1OC 26261323 VFXGEWOBKMQORJ-UHFFFAOYSA-N 368.494 3.526 5 1 FHBF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587044863 VENLXTWRQSRSQO-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF O=C1COc2cc3[nH]c(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)nc3cc2N1 587051098 XMDJGZPQYVUJPO-DUXPYHPUSA-N 370.752 3.626 5 1 FHBF COc1cc2cc[n+]3cc4c(OC)c(OC)ccc4cc3c2cc1OC 8674108 LEAHDFVHXYMBIQ-UHFFFAOYSA-N 350.394 3.766 5 1 FHBF O=C1CCC[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 586884189 LFZCOWSXRIEGNU-MRVPVSSYSA-N 352.188 3.850 5 1 FHBF O=C(c1nc2c([N+](=O)[O-])cncc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133347 OVBKSKXYEPEFBJ-UHFFFAOYSA-N 355.112 3.543 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587270902 SYTYKRUUMALFAW-JTQLQIEISA-N 352.728 3.645 5 1 FHBF COc1cc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1[N+](=O)[O-] 587263088 KZVXHSDYYGUSDO-UHFFFAOYSA-N 369.164 3.761 5 1 FHBF COCCNc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587264219 DPRXUSJDQFHDBF-UHFFFAOYSA-N 363.377 3.745 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccc4cc([N+](=O)[O-])ccc4n1)[C@@H](C2)C3=O 587434026 OWNJXMHMCMDJGJ-VBKZILBWSA-N 362.341 3.640 5 1 FHBF COc1c(C)cc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587944202 ZPDLUXRBWQSUIL-UHFFFAOYSA-N 359.151 3.618 5 1 FHBF CCOC(=O)c1c(C)n2c3ccccc3c(=O)n2c2ccc(Cl)cc12 1911572327 WXTFJSRAIGBKIC-UHFFFAOYSA-N 354.793 3.844 5 1 FHBF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646476 BBPIAPSZPMOBHU-NSHDSACASA-N 363.414 3.851 5 1 FHBF O=c1nc(NC2CCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 96910800 QGDMYSDFCXOKML-UHFFFAOYSA-N 359.329 3.938 5 1 FHBF Cn1c2ccccc2c2c3c(c4c5ccccc5n(C)c4c21)C(=O)NC3=O 5581660 KHNZAHCUOWJNCL-UHFFFAOYSA-N 353.381 3.860 5 1 FHBF CC(C)c1ccc([S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162013 CTTVVMXBXWWNQS-QFIPXVFZSA-N 350.421 3.640 5 1 FHBF CC[C@H]1OCCC[C@@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586914904 ZNXXYOILTYXTBU-GZMMTYOYSA-N 354.204 3.906 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC2=O 587468817 BGGAKVRMIJGGSW-INIZCTEOSA-N 371.345 3.688 5 1 FHBF COc1ccc(CNc2ncnc3cc(OC)c([N+](=O)[O-])cc23)cc1Cl 40406486 LBSAIKFIVXMTSX-UHFFFAOYSA-N 374.784 3.821 5 1 FHBF C[N+]1(C)[C@H]2CC[C@H]1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 101603791 QBBZFMTXELSEFR-PMACEKPBSA-N 364.465 3.601 5 1 FHBF Nc1ccc(F)c(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587141593 WETDBZKLFMMERS-UHFFFAOYSA-N 365.162 3.546 5 1 FHBF CCOC(=O)/C=C/c1cccc(Nc2cnc3ccc([N+](=O)[O-])cc3n2)c1 72107960 KVLRMHYBNZPETO-RMKNXTFCSA-N 364.361 3.858 5 1 FHBF O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)nn1CC(F)(F)F 587093074 TWJYXPQHTVQFFD-UHFFFAOYSA-N 363.658 3.689 5 1 FHBF N=c1[nH]c(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cs1 587022347 WJWMPFGNGQUJAC-UHFFFAOYSA-N 355.354 3.813 5 1 FHBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])ccc(-c3cccc(F)c3)c12 299864065 LTRFRKYBFVOSNV-UHFFFAOYSA-N 372.308 3.598 5 1 FHBF O=[N+]([O-])c1cc(F)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587160628 XQHCSCFQGUGRBU-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 169331625 CAEYYAQNWVKOAR-UHFFFAOYSA-O 362.450 3.881 5 1 FHBF Cc1ccc(N2C[C@H](C(=O)c3coc4cc([N+](=O)[O-])ccc34)CC2=O)cc1 587279799 BAHODANAVYFWFH-CYBMUJFWSA-N 364.357 3.885 5 1 FHBF COc1cc(C[C@H](O)c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])cc1OC 1857754885 SFWYOLKSBFGSBQ-AWEZNQCLSA-N 371.311 3.907 5 1 FHBF O=[N+]([O-])c1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1[N+](=O)[O-] 586896444 QROLKWAUMXIBGJ-UHFFFAOYSA-N 356.338 3.650 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c12 586905267 ZZVPFPAWMQZMCF-FZMZJTMJSA-N 374.194 3.803 5 1 FHBF COc1cc(OCc2nc3cc(Cl)c(F)cc3[nH]2)ccc1[N+](=O)[O-] 587263150 NKNCRWFBXRWAIM-UHFFFAOYSA-N 351.721 3.851 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 587270494 ZVSIZGQWYYIJRW-UHFFFAOYSA-N 367.148 3.564 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1cc4cc([N+](=O)[O-])ccc4o1)[C@@H](C2)C3=O 587434477 WBJAAHQPPHBGKP-ORAYPTAESA-N 351.314 3.838 5 1 FHBF Cc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1F 587265151 OWUPBNMOWXEZNS-VIFPVBQESA-N 359.317 4.000 5 1 FHBF C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874517 DXKHELFQFNWXED-SNVBAGLBSA-N 369.308 3.811 5 1 FHBF O=[N+]([O-])c1ccc([C@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)cc1 963340293 GLCGYFYLSCWGPM-NRFANRHFSA-N 364.376 3.877 5 1 FHBF C[Si](C)(C)CCOCn1c(=O)c2ccccc2c2cc(C(N)=O)ccc21 1772657764 GNYOWZHXOMSPBC-UHFFFAOYSA-N 368.509 3.566 5 1 FHBF C[N+]12CCC(CC1)[C@H](Cc1nc(-c3cccc(Br)c3)no1)C2 1857570300 KZBCFVNHXLCFQT-CURUXHCOSA-N 363.279 3.528 5 1 FHBF CC(=O)Nc1c2ccccc2c2c3c(cccc13)C(=O)[C@H](CCN(C)C)C2=O 49932132 ZXXHVPGSHYJQCC-SFHVURJKSA-N 374.440 3.898 5 1 FHBF O=C(O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1[nH]c(=O)ncc12 199791738 CHSKYSCTRAURKL-UHFFFAOYSA-N 366.764 3.567 5 1 FHBF O=C1C[C@@H](c2cc([N+](=O)[O-])c(O)cc2O)Oc2c1ccc1c2CCCC1 587511687 RMEVMQABRANBAR-SFHVURJKSA-N 355.346 3.591 5 1 FHBF COc1ccc2c(c1OC)[C@](C)(c1ccc(F)c([N+](=O)[O-])c1)N(C)[C@H](C)C2 962627040 KKRLOGTWNVWEFX-ODXCJYRJSA-N 374.412 3.891 5 1 FHBF C[C@H]1c2ccc3c(c2C[N+]2(C)CCc4cc5c(cc4[C@@H]12)OCO5)OCO3 14722935 AYHWLTBLHCGEPJ-CXCPPNKJSA-N 352.410 3.505 5 1 FHBF COCCOc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1[N+](=O)[O-] 587266496 YZSJJXKDTGGQIG-UHFFFAOYSA-N 364.361 3.712 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587430703 BHWZSFPJSWAEOZ-XOBRGWDASA-N 364.357 3.748 5 1 FHBF COc1ccc([C@@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587938142 TVTNBHOGZKDTBW-FVMDXXJSSA-N 361.785 3.970 5 1 FHBF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644594 GUHPALSEIYGYSD-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF O=C1O[C@H](C[N+]23CCC(CC2)CC3)CC1(c1ccccc1)c1ccccc1 6579023 CVUYZNJIONDVBA-WQNVSQMQSA-N 362.493 3.919 5 1 FHBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@H](O)C3 603531 WFJRRXIAEUUFPW-LBPRGKRZSA-N 367.408 3.520 5 1 FHBF C[N+]1(CCN2CCN(c3ccccc3)c3ccccc3C2=O)CCCC1 33854397 ZEPCPKVTLATZRO-UHFFFAOYSA-N 350.486 3.521 5 1 FHBF CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccnc2[nH]1 587054952 NIOPOGIGFSTWCT-CQSZACIVSA-N 373.800 3.647 5 1 FHBF Cc1ccc2nc3c(cc2c1)C=Nn1c(nnc1-c1ccc([N+](=O)[O-])cc1)N3 72175136 KHOPHQQTXWXPDJ-UHFFFAOYSA-N 371.360 3.649 5 1 FHBF Cc1oc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268494 AKARPKTVASKIFT-UHFFFAOYSA-N 357.551 3.850 5 1 FHBF C[C@]1(c2ccc(N)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511810 RYJFDUSCATYBKN-HXUWFJFHSA-N 352.390 3.936 5 1 FHBF CN(C)CCN1CCN(c2c3ccccc3nc3c2[nH]c2ccccc23)CC1 95573836 JFHPAQKFVDFLBY-UHFFFAOYSA-N 373.504 3.553 5 1 FHBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1O 299838137 LIHCAZXMHZTCJW-OAHLLOKOSA-N 350.783 3.732 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(C)ccnc2[nH]1 587262975 ITHXADHCSBDNBU-NSHDSACASA-N 370.365 3.526 5 1 FHBF CC(C)Oc1ccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587264629 OSBAHIYAVWRGSE-UHFFFAOYSA-N 356.338 3.757 5 1 FHBF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc([N+](=O)[O-])ccc31)CC2=O 587470476 JZIDSCGDNSOSOT-FQEVSTJZSA-N 369.373 3.896 5 1 FHBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C[C@@H](O)C3 3797045 WFJRRXIAEUUFPW-GFCCVEGCSA-N 367.408 3.520 5 1 FHBF COc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cn1 586980022 NBGIPXKBWRIQCM-UHFFFAOYSA-N 363.171 3.613 5 1 FHBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCOCC1 587210435 BQABUJFTXRFVDU-UHFFFAOYSA-N 361.401 3.745 5 1 FHBF COCCNc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1[N+](=O)[O-] 587266026 UDUNFWAHXLDZLX-UHFFFAOYSA-N 358.423 3.918 5 1 FHBF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cn1 587645281 NUSAMJHAXHAQJK-UHFFFAOYSA-N 352.272 3.542 5 1 FHBF O=[N+]([O-])c1cc(Cl)cc2c1NC[C@@H]1C2=NN[C@@H]1c1ccc(Cl)cc1 1772652253 DZLWPNBSLKOJEP-GXTWGEPZSA-N 363.204 3.992 5 1 FHBF CSc1ccc2c3c(c4ccccc4cc13)C(=O)N(CCN(C)C)C2=O 29389026 QMMPNWZCSHBSEC-UHFFFAOYSA-N 364.470 3.873 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc(F)cc1)C2 45287606 IERKQNGDRRHJKL-INIZCTEOSA-N 369.352 3.575 5 1 FHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCc2ccc([N+](=O)[O-])cc21 963608365 KTQPRLZAUGRWOQ-ASSNKEHSSA-N 368.433 3.726 5 1 FHBF CCN(CC)[S@@](=O)(=NSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 1857560645 DGSBMOPWUIMRRU-QFIPXVFZSA-N 357.379 3.847 5 1 FHBF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646049 RQKVMJIXUDUAOG-UHFFFAOYSA-N 356.309 3.628 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3ccc([N+](=O)[O-])cc13)O2 587388545 DDJQGEQZEJTDAD-IBGZPJMESA-N 351.362 3.847 5 1 FHBF Nc1ncc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268153 MEOSKIDTEYPWQV-UHFFFAOYSA-N 355.301 3.727 5 1 FHBF Cc1ccnc2c1CCN[C@@]2(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 963072685 MZIWQSFHNMTKFN-QFIPXVFZSA-N 359.429 3.930 5 1 FHBF O=c1c2cc3cc(Cl)ccc3nc2ncn1CCc1ccc(O)cc1 203467133 AGLWMFTXMRMPIC-UHFFFAOYSA-N 351.793 3.546 5 3 FHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])o1 587575182 DAXFUUNCETYIDD-YJBOKZPZSA-N 353.286 3.596 5 1 FHBF COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1 13366201 QMDZVKMJRKIRSE-IBGZPJMESA-N 372.485 3.637 5 1 FHBF biogenic,in-vitro Cc1oc(-c2nc3c(I)cccc3[nH]2)cc1[N+](=O)[O-] 587269598 VJLKDMYVMQTUCD-UHFFFAOYSA-N 369.118 3.644 5 1 FHBF COCOc1cc2ccccc2cc1C(=O)Nc1ccc([N+](=O)[O-])cc1 6483090 OSRAPSLHEARREC-UHFFFAOYSA-N 352.346 3.983 5 1 FHBF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1 64380878 WXZFAWFIMBPTEP-WOJBJXKFSA-N 368.433 3.906 5 1 FHBF in-vivo COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc([N+](=O)[O-])c1 587868892 WQDXMMPRRQMOOE-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF CC(C)C[C@@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899977 OZKOBRRHRXCCJC-ICSRJNTNSA-N 372.396 3.623 5 1 FHBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)[C@H](O)[C@@H]1CCCN1C3 14824811 SBVBOLGVLBCFIL-PGRDOPGGSA-N 365.429 3.727 5 1 FHBF biogenic,in-vitro O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc([N+](=O)[O-])c2[nH]1 587041981 GIEQZZMXAPTCSD-ZDUSSCGKSA-N 374.809 3.780 5 1 FHBF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] 299848529 KHLZJMZQFWBCDK-NRFANRHFSA-N 374.400 3.895 5 1 FHBF O=[P@@H](O)OC[C@H]1O[C@@H](c2ccc3c(ccc4ccccc43)c2)C[C@@H]1O 584905265 LOPGFTBXKTZFOQ-IPMKNSEASA-N 358.330 3.583 5 1 FHBF in-vitro CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)s1 587023624 RSXGBOMYFGABQC-UHFFFAOYSA-N 361.383 3.942 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(Cl)ncc2[nH]1 587267032 SNGDPKAGGCEJIM-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF Nc1ncc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587267703 DIUHITXDMRLFKE-UHFFFAOYSA-N 368.578 3.531 5 1 FHBF COc1c([N+](=O)[O-])c2c(c3c1c(=O)c1ccccc1n3C)C=CC(C)(C)O2 33650045 RRQGPGYDNJCTPJ-UHFFFAOYSA-N 366.373 3.793 5 1 FHBF C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45211044 QSVMUXQZRHDURM-PXAZEXFGSA-N 368.355 3.868 5 1 FHBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587507908 DBNMEDLJGJTZGY-SFHVURJKSA-N 369.373 3.894 5 1 FHBF Cc1nc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2cc1Br 587160672 ZOCREHAXJPLLOU-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587006290 DAKHNELDQZXYTL-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF COc1ccc(C[C@H]2c3c(ccc(OC)c3OC)CC[N+]2(C)C)cc1OC 40575602 HTIUQFMXVOSNSP-KRWDZBQOSA-N 372.485 3.637 5 1 FHBF COCCNc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587261717 HBWSTZJPISSDIR-UHFFFAOYSA-N 366.299 3.614 5 1 FHBF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc([N+](=O)[O-])c(F)cc4[nH]1)(C3)C2 587950930 PBDUXNJJSPOKFT-ORMMXULVSA-N 373.384 3.764 5 1 FHBF N[C@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1F 587150602 NKCUDNXJEPRDCS-IBGZPJMESA-N 361.355 3.986 5 1 FHBF COc1cc2c(c(OC)c1)[C@@H](Cc1ccc(OC)c(OC)c1)[N+](C)(C)CC2 40568023 DUDPPDFOSUBURN-GOSISDBHSA-N 372.485 3.637 5 1 FHBF COc1cc2c3c(c1)O[C@@]1(CCCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O 587432323 WENUDNFPBZHSQK-MGPUTAFESA-N 351.358 3.583 5 1 FHBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCSCC4)cc3)C2)o1 95560453 CRDZCUVZVGGYLQ-INIZCTEOSA-N 359.407 3.607 5 1 FHBF O=C(O)Cc1ccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587962164 UCYJUXVEVHVHKD-UHFFFAOYSA-N 368.396 3.877 5 1 FHBF COc1cc(/C=C(\C(=O)O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 28818162 GJOOVCUVZFWBJW-QPEQYQDCSA-N 363.753 3.891 5 1 FHBF COc1ccc(C)cc1C(=O)CCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587788103 WAEWTXJYUUDSEA-UHFFFAOYSA-N 357.341 3.743 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(F)c2[nH]1 587262627 HDHFZIUTTAANSM-SNVBAGLBSA-N 373.340 3.961 5 1 FHBF NCCOc1ncccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857596497 PSTOZJZIPPUYHT-UHFFFAOYSA-N 359.385 3.897 5 1 FHBF Cc1ccc2c(ccc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c32)n1 587268307 QDNQCMLPYNLJJA-UHFFFAOYSA-N 350.382 3.696 5 1 FHBF Nc1ncc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1[N+](=O)[O-] 587267738 FRWLCVHSQYLDKK-UHFFFAOYSA-N 373.678 3.667 5 1 FHBF COCCOc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1[N+](=O)[O-] 587264737 IXAWKVNBWDPCGS-UHFFFAOYSA-N 367.283 3.581 5 1 FHBF N[C@@H](Cc1cc(Cl)c(Cl)c(-c2ccc([N+](=O)[O-])cc2)c1)C(=O)O 45351979 VPRDDEXOIBZFER-ZDUSSCGKSA-N 355.177 3.523 5 1 FHBF Cc1cc(C)c2c(=O)c3ccccc3n(CCCCN3CCOCC3)c2c1 103273221 OOGHLBAKLUPADG-UHFFFAOYSA-N 364.489 3.884 5 1 FHBF COc1cc2c3c(c1)O[C@]1(CC(C)(C)c4ccc([N+](=O)[O-])cc41)[C@@H](C2)C3=O 587432675 KGHMTQDCELUWTO-KKSFZXQISA-N 365.385 3.928 5 1 FHBF CCOc1ccc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C 587944049 XPMSRJYADDAIMN-UHFFFAOYSA-N 359.151 3.700 5 1 FHBF Cc1ccc(C)c(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2498642 GXDMJNMNWBRSGB-KXBFYZLASA-N 353.378 3.981 5 1 FHBF Nc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c(C(F)(F)F)c1 587095348 FFNOVKZWXCVOHQ-UHFFFAOYSA-N 367.243 3.647 5 1 FHBF COc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1F 587137337 VKNJBQBXEQEODU-UHFFFAOYSA-N 362.336 3.703 5 1 FHBF O=[N+]([O-])c1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1[N+](=O)[O-] 587174846 MKOJYUQCBVTJFC-UHFFFAOYSA-N 355.285 3.591 5 1 FHBF Cc1c(-c2nc3c(F)cnc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587261079 SEKZEGVFENPOFI-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF Cc1cccc(OCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)c1 143517222 QXHQXNKFPAQIGE-UHFFFAOYSA-N 371.345 3.563 5 1 FHBF CC(=O)N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(C)cc1 587205738 DUSCEUQCERFFTK-CQSZACIVSA-N 372.812 3.853 5 1 FHBF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82149815 XXMJOAXPZQKZPV-QWHCGFSZSA-N 371.441 3.791 5 1 FHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587272918 BIIULOLMPVSRJR-NSHDSACASA-N 373.376 3.568 5 1 FHBF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(F)ccc([N+](=O)[O-])c1F 963638483 UATUSONTYCGGDY-YYSFKGJASA-N 364.348 3.514 5 1 FHBF CCOc1ccc(C(=O)CN2C(C)=CN3[CH]C=CC(C)=C32)cc1[N+](=O)[O-] 2356842406 PDJJYKHMPPIWOG-UHFFFAOYSA-N 354.386 3.618 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(CCc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431824 HHAXRWMJIUXROR-MGPUTAFESA-N 353.374 3.742 5 1 FHBF Cn1c(SCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nnc1-c1ccccc1 1857574445 SQXJEDVYAQIGPI-UHFFFAOYSA-N 371.378 3.591 5 1 FHBF Cc1c(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028973 DFRCJONBKAZSDJ-UHFFFAOYSA-N 367.390 3.621 5 1 FHBF COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CNCC3 95561635 KPZGPKLHOAEAQA-UHFFFAOYSA-N 353.418 3.673 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)CC2=O 587473323 RTUXICSMJIQJDV-GOSISDBHSA-N 357.362 3.968 5 1 FHBF COc1ccc(/C=C/c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1OC 103209849 BNXNMJXWOWFWLZ-WEVVVXLNSA-N 355.350 3.667 5 1 FHBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2N1 587124766 OFTCXVOVBMAFBA-MADCSZMMSA-N 366.303 3.642 5 1 FHBF C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874516 DXKHELFQFNWXED-JTQLQIEISA-N 369.308 3.811 5 1 FHBF COc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Cl 587264336 LRYCOCMAFFSORO-UHFFFAOYSA-N 362.729 3.632 5 1 FHBF Cc1c(F)cccc1-c1cc(-c2nc3cnnc(O)c3[nH]2)cc([N+](=O)[O-])c1 587137080 RUYBPGDAIUROHC-UHFFFAOYSA-N 365.324 3.748 5 1 FHBF CCCCNC(=O)c1cnc(N[C@@H](C)CC)nc1-c1ccc([N+](=O)[O-])cc1 82216959 LIONMOIMBQPHBO-ZDUSSCGKSA-N 371.441 3.792 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(F)cc(F)c3O)[nH]c12 587134669 UONFELBFGGSVLI-UHFFFAOYSA-N 370.109 3.884 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587148578 CJPFPXJCBADRKB-UHFFFAOYSA-N 356.235 3.603 5 1 FHBF Nc1ncc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1[N+](=O)[O-] 587267773 GCAWFHSINFZKLG-UHFFFAOYSA-N 361.361 3.694 5 1 FHBF C[C@@]1(COc2ccc(-c3ccc(F)cc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 115607023 QMDDMCVXYCYGRO-IBGZPJMESA-N 369.352 3.828 5 1 FHBF O=[N+]([O-])c1cccc([C@]2(c3ccc(F)cc3)NCCc3ccc(O)cc32)c1 963343434 VZXCKWKCGLICNL-NRFANRHFSA-N 364.376 3.877 5 1 FHBF Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+](C)([O-])[C@@H]1N2C 14948515 GHYFEILIYSGWHS-GGGSXUAESA-N 367.449 3.988 5 1 FHBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])ccc(-c3ccc(F)cc3)c12 299859418 FSGWHYYIWLVFRF-UHFFFAOYSA-N 372.308 3.598 5 1 FHBF O=C(c1coc2cc([N+](=O)[O-])ccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 587280506 YPUMQNWYWUFOMP-GFCCVEGCSA-N 350.330 3.577 5 1 FHBF COc1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Cl 587158222 ALJVHZPMGMWLKV-UHFFFAOYSA-N 351.721 3.851 5 1 FHBF Cc1ccc(C)c(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 2498638 GXDMJNMNWBRSGB-BEFAXECRSA-N 353.378 3.981 5 1 FHBF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587044324 ZWRHSOCUYUODDZ-GFCCVEGCSA-N 368.846 3.745 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(F)cc2[nH]1 587263167 KJJVYEGEKFTZAT-SNVBAGLBSA-N 373.340 3.961 5 1 FHBF CCN(CC)c1ccc(-c2[nH]c3ccccc3c(=O)c2O)cc1[N+](=O)[O-] 1772628840 TXJCDHWWLJBDRN-UHFFFAOYSA-N 353.378 3.655 5 1 FHBF C[C@@H](Cn1nc(-c2ccc([N+](=O)[O-])cc2)c2c(N)ncnc21)c1ccccc1 1857593073 OCIKJJNQFNWMKD-ZDUSSCGKSA-N 374.404 3.787 5 1 FHBF COc1cc2c(cc1[C@@H](C)O)C[C@H]1c3c(ccc(OC)c3O2)CC[N+]1(C)C 238761461 MMDCEGVRKZXLQL-DYVFJYSZSA-N 370.469 3.779 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1F 587040957 KQJKFPFHLAYLPS-ZBFHGGJFSA-N 358.398 3.557 5 1 FHBF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2cccc([N+](=O)[O-])c2)=NO1 12726011 COSVVRZSBPZQNJ-LJQANCHMSA-N 364.361 3.608 5 3 FHBF Cc1nc2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc3c2c(=O)n1N 28708396 ZRMUGRCBJHUXPN-UHFFFAOYSA-N 371.227 3.941 5 1 FHBF CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(O)oc2ccccc2c1=O 101559403 MKMNPHPDTRVODA-MRXNPFEDSA-N 367.357 3.908 5 1 FHBF Cc1c2c3cc(NC(=O)[C@@H]4CCCN4)ccc3nc-2n(C)c2ccccc12 103031975 JYTCJDLFHGPCOL-SFHVURJKSA-N 358.445 3.830 5 1 FHBF O=[N+]([O-])c1cc2nc(CSc3nnc(S)s3)[nH]c2cc1Cl 587026566 ZECYZEZMFSYYJG-UHFFFAOYSA-N 359.845 3.557 5 1 FHBF Cc1cc2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2cc1[N+](=O)[O-] 587173866 KPSPZNOQSVJWLC-GOSISDBHSA-N 355.325 3.547 5 1 FHBF CC(C)c1csc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])cc2)S3)n1 64446995 PJDAVMODXGXTKN-ZDUSSCGKSA-N 374.451 3.781 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)CC2=O 587471183 OOGMXCGRYYDQIT-KRWDZBQOSA-N 367.361 3.836 5 1 FHBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c3cccnc3c3ncccc3c2[nH]1 587094208 MZURSMOZPYVTRQ-SECBINFHSA-N 373.338 3.789 5 1 FHBF C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277700 ZZYUHWZIOYYMAG-LURJTMIESA-N 370.594 3.693 5 1 FHBF Cn1cccc1CN1CCc2sccc2[C@H]1c1ccc([N+](=O)[O-])cn1 962378713 ZHQARUGEFPOEFQ-SFHVURJKSA-N 354.435 3.538 5 1 FHBF CCN(CC)CCNc1ccc(CNC)c2sc3ccccc3c(=O)c12 3784463 WMTNMICVHUBQRW-UHFFFAOYSA-N 369.534 3.888 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(OC)c1O)CC2=O 587472304 FZIKPLCDZMKLLG-INIZCTEOSA-N 373.361 3.674 5 1 FHBF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(F)cc([N+](=O)[O-])c1 963058965 RMGOEZSTKWYBHA-GOSISDBHSA-N 353.353 3.526 5 1 FHBF COc1ccc2c(c1OC)C[N@+]1(C)CCc3cc4c(cc3C1=C2C)OCO4 263602675 MPJGYMGKMSWAGP-QHCPKHFHSA-N 366.437 3.837 5 1 FHBF COc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1F 587269478 OJAUOUASHPEZNB-UHFFFAOYSA-N 356.357 3.886 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)nn2)c1 587269768 OSDOQSYJHNVSPR-UHFFFAOYSA-N 358.720 3.511 5 1 FHBF COc1c([N+](=O)[O-])ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587511186 NVTHSRHFDXBXPW-KRWDZBQOSA-N 369.373 3.894 5 1 FHBF CC(C)c1ccc([S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162008 CTTVVMXBXWWNQS-JOCHJYFZSA-N 350.421 3.640 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3csc4ccc(O)cc34)[nH]c2cc1[N+](=O)[O-] 587032317 SUMKFROPPFMZJI-UHFFFAOYSA-N 356.319 3.967 5 1 FHBF CCOC(=O)c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)c([N+](=O)[O-])c1 587874707 IONTZYAIBOLRPJ-UHFFFAOYSA-N 369.308 3.869 5 1 FHBF CCN(CC)CCn1[nH]c2c3ccccc3nc3c(NC(C)=O)ccc1c32 27098559 CVMDSKVTINXTNI-UHFFFAOYSA-N 363.465 3.971 5 1 FHBF C[C@@H](c1ccc([N+](=O)[O-])cc1)N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 26728698 LMPBCAWBSORYSZ-LURJTMIESA-N 368.242 3.508 5 1 FHBF C[N+]1(C)CCC[C@H]1[C@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40973762 VPWKHNIBDCHPNN-UWHHFBIGSA-N 362.559 3.806 5 1 FHBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586885352 BXJAZBFXSRKBCQ-QLJPJBMISA-N 356.338 3.525 5 1 FHBF CC[C@@H](C)CN1C(=O)CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21 26574862 DTVBGUMLZSCRSX-CQSZACIVSA-N 351.406 3.825 5 1 FHBF C[N+]1(C)CCC[C@H]1[C@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40424158 VPWKHNIBDCHPNN-PDFGSZSQSA-N 362.559 3.806 5 1 FHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587273713 KRXRBWOEZVRUCU-LLVKDONJSA-N 373.376 3.568 5 1 FHBF C[C@@]1(c2ccc(N)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511806 RYJFDUSCATYBKN-FQEVSTJZSA-N 352.390 3.936 5 1 FHBF O=Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587509866 KCYLPHWSFYMFFC-LJQANCHMSA-N 351.358 3.993 5 1 FHBF CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@H]1c1ccc([N+](=O)[O-])o1 169348077 DHJCKQGXKHQASD-AWEZNQCLSA-N 370.148 3.734 5 1 FHBF O=C1C[C@](Cc2ccccc2)(C[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587510561 LKMLIIMBCWQQIV-OAQYLSRUSA-N 351.402 3.789 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)cc3cc[nH]c23)cc1 28233227 MJCXIAJKBNGLBK-UHFFFAOYSA-N 351.771 3.530 5 1 FHBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586880678 AZZMSVUJCGHRQR-UHFFFAOYSA-N 355.325 3.539 5 1 FHBF COc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C 587265829 UBIDCQYQQMTPJM-JTQLQIEISA-N 371.353 3.869 5 1 FHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc([N+](=O)[O-])o1 587575181 DAXFUUNCETYIDD-QAPCUYQASA-N 353.286 3.596 5 1 FHBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc([N+](=O)[O-])ccc12 587647869 SEVPPBFZBSSQGN-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF O=C(O)c1cccc2c1CCN[C@H]2c1coc2c(ccc3ccccc32)c1=O 963133766 SCMWJOZKQLQQDR-HXUWFJFHSA-N 371.392 3.880 5 1 FHBF COC(=O)c1cc(O)cc2oc3c(Cl)c(C)c(Cl)c(O)c3c(=O)c12 2356730236 PQPCYOSNIFQULR-UHFFFAOYSA-N 369.156 3.759 5 1 FHBF COc1cc2oc3c(OC)c(O)ccc3c(=O)c2c(O)c1CC=C(C)C 14763045 BSSWLUSDRBDPCW-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF biogenic,in-vitro Cc1nc(N(C)Cc2ccccc2)nc(-n2ccnc2C(C)C)c1[N+](=O)[O-] 40767180 FADWUOAMZLJWNT-UHFFFAOYSA-N 366.425 3.639 5 1 FHBF CC(=O)N1N=C(c2nc(C(C)C)cs2)O[C@]1(C)c1ccc([N+](=O)[O-])cc1 49054286 QOLYDDJNVONZFZ-QGZVFWFLSA-N 374.422 3.588 5 1 FHBF CO[C@@H]1CC=C2N(c3ccc([N+](=O)[O-])cc3)C(=O)C[C@]2(c2ccccc2)O1 64491753 RPGLWXHBFRNKMG-VQTJNVASSA-N 366.373 3.504 5 1 FHBF COc1cc(N(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1C 64540424 MZNBQHLIRSXJIX-UHFFFAOYSA-N 357.454 3.652 5 1 FHBF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ncncc12 66112947 JPIYOGKAIULUIO-UHFFFAOYSA-N 352.300 3.898 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586916141 KSDHGJNLLACAHD-BFUOFWGJSA-N 351.362 3.688 5 1 FHBF Nc1c(F)cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1F 587134517 IIJQLMBREYRYJG-UHFFFAOYSA-N 369.125 3.761 5 1 FHBF COc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Cl 587269872 SBCATDMKMZUOPZ-UHFFFAOYSA-N 361.741 3.525 5 1 FHBF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cccc([N+](=O)[O-])c12 587646400 RKIZREYMOLYEKH-UHFFFAOYSA-N 365.267 3.944 5 1 FHBF O=[N+]([O-])c1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857772213 TZLTWRLYEMNTDG-YVNJGZBMSA-N 367.493 3.990 5 1 FHBF O=C(Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 49036253 FHHZXYLFASBEJJ-UHFFFAOYSA-N 361.257 3.836 5 1 FHBF COC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1 587245431 RSQQITSYHFVMSN-UHFFFAOYSA-N 370.372 3.900 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587261852 JBNLXANXMUBUNJ-UHFFFAOYSA-N 369.274 3.957 5 1 FHBF Cn1nc(C(F)(F)F)c(Cl)c1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280226 OTUNAUSLWPNSFH-UHFFFAOYSA-N 373.674 3.978 5 1 FHBF Cc1cc(N(C)Cc2nc3ccc(F)c(F)c3[nH]2)c([N+](=O)[O-])cc1F 587136413 FLUDZEBHHOHIAE-UHFFFAOYSA-N 350.300 3.833 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782539 OWZKJOXZOUHOBS-UHFFFAOYSA-N 362.345 3.818 5 1 FHBF CCCc1nc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)nn1-c1ccccc1F 587154270 BGBNOCIVECBVSH-UHFFFAOYSA-N 366.356 3.810 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077128 QJAWWUMYLKMXNJ-HNNXBMFYSA-N 357.801 3.857 5 1 FHBF Cc1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1[N+](=O)[O-] 587090981 DENFELAITPEHMY-UHFFFAOYSA-N 352.272 3.783 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c3cccnc3c3ncccc3c2[nH]1 587267433 KOWHVMIRVCPJJU-NSHDSACASA-N 373.376 3.682 5 1 FHBF CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 3961188 AVGCFTCKHIHCOQ-UHFFFAOYSA-N 357.413 3.751 5 1 FHBF Nc1ncc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1[N+](=O)[O-] 587268377 UGLAUIDDKSCGSZ-UHFFFAOYSA-N 357.679 3.788 5 1 FHBF COc1ccc(OC)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1OC 587790354 BLEKIZFPGJQZLR-UHFFFAOYSA-N 363.757 3.817 5 1 FHBF COc1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 587930484 IRLCIPZOXCVBLF-UHFFFAOYSA-N 362.183 3.833 5 1 FHBF O=C1N[C@@H](C(=O)O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 85591860 LYSTWLDKIFYXOG-LJQANCHMSA-N 355.353 3.825 5 1 FHBF in-vitro COc1ccc2c(c1)C[C@@H](c1nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]1)CC2 587947117 SZWMQFCGIICJBO-NSHDSACASA-N 368.349 3.660 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1OC)CC2=O 587472742 MBVYJHHHHLAFRD-GOSISDBHSA-N 357.362 3.968 5 1 FHBF O=c1c2ccccc2c(Cc2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1 40564547 OJEQHZUYXPGJJB-UHFFFAOYSA-N 357.369 3.885 5 1 FHBF C[N+]12CCC(CC1)[C@@H](NC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 1911572887 BFRFNKMZBSGKIG-RDEMWXPNSA-O 354.449 3.853 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])cn2)N1 587754250 XSZIMTIJWKCSIB-AYVTZFPOSA-N 366.190 3.515 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])cc(OC)c1O)CC2=O 587473362 SOENOUZCZQJZRL-MRXNPFEDSA-N 373.361 3.674 5 1 FHBF NCCCc1nc(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccccc3)nc12 27858832 KVFFKWIKILEIPC-UHFFFAOYSA-N 373.416 3.863 5 1 FHBF COc1cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3)o2)ccc1O 84713958 VGADPHMMUVAOSM-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587267817 RMKJSMNIZCWJHU-LLVKDONJSA-N 373.376 3.682 5 1 FHBF Cc1c(C(=O)c2coc3cc([N+](=O)[O-])ccc23)nnn1Cc1ccccc1 587280257 PWWNQFKBLHASOM-UHFFFAOYSA-N 362.345 3.520 5 1 FHBF Cc1ccc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2n1 587268251 YYIYCVSKEZLICX-UHFFFAOYSA-N 362.393 3.703 5 1 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)(C)[C@H]12 53246963 QFIKEMJSULRLJK-FPOVZHCZSA-O 352.458 3.811 5 1 FHBF COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 95581094 YUZNDYLOYSEZMK-ZIAGYGMSSA-N 359.378 3.900 5 1 FHBF CCCCNC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 82134806 IYEISEOLPQLQAJ-CYBMUJFWSA-N 371.441 3.792 5 1 FHBF O=[N+]([O-])c1cc(-c2cn3ccccc3n2)ccc1I 68585424 BQNQNLYIHFMUBE-UHFFFAOYSA-N 365.130 3.514 5 1 FHBF biogenic CC1CCN(c2nc(=O)c3cc(C(F)(F)F)cc([N+](=O)[O-])c3s2)CC1 96910804 LGJZMRCSSQDEGO-UHFFFAOYSA-N 373.356 3.820 5 1 FHBF CCOc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CC(=O)O)cc1F 587645557 CDNGWAJRQGVUQE-UHFFFAOYSA-N 358.325 3.908 5 1 FHBF N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1C2 136588659 UPPFCAGNQPAMOX-UONOGXRCSA-N 371.462 3.725 5 1 FHBF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)cc1 587647502 ZRXQYRPCYUNEFU-UHFFFAOYSA-N 352.350 3.595 5 1 FHBF Cc1cc(Br)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1F 587138119 WRHSCXDTOFZEPZ-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF O=[N+]([O-])c1ccc2c(NCc3ccc4c(c3)OCO4)nnc(Cl)c2c1 13780945 RUWRDTSQEVSUNK-UHFFFAOYSA-N 358.741 3.532 5 1 FHBF C[n+]1c2ccc(Br)cc2cc2[nH]c3ccc([N+](=O)[O-])cc3c21 6744944 NDXPBXBTCLVYQH-UHFFFAOYSA-O 357.187 3.970 5 1 FHBF CCN(CC)C[C@H](O)Cn1c2ccccc2c(=O)c2cccc(Cl)c21 49816737 ZNFNICXYFRLMJV-AWEZNQCLSA-N 358.869 3.511 5 1 FHBF C[N+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 101644911 UOBMQJGLFUHOEX-JBYSATMRSA-N 366.481 3.717 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587093553 OSJTUEBVZOLGJV-WDSKDSINSA-N 350.094 3.899 5 1 FHBF CN(C)CCNc1ccc2c(ccc3c4cc5c(cc4cnc23)OCO5)n1 49803871 ZWOWZWQHPFBRJK-UHFFFAOYSA-N 360.417 3.638 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 587871945 QNXUAWWISKWABV-UHFFFAOYSA-N 372.312 3.894 5 1 FHBF O=C(Cn1c(-c2ccccn2)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 73222099 CTEOJQGHYWPXFG-UHFFFAOYSA-N 358.357 3.889 5 1 FHBF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1 587113377 QVOFRGQLWKHBGB-NSHDSACASA-N 350.300 3.732 5 1 FHBF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1 587166851 CBBQFTDTGHPWHP-MRXNPFEDSA-N 369.356 3.979 5 1 FHBF O=c1c2ccccc2c2nc3ccccn3c2n1CCc1ccc(O)cc1 103232335 QDTQSIQWBQSIJU-UHFFFAOYSA-N 355.397 3.751 5 1 FHBF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccccc2[N+](=O)[O-])n1 66066534 UVJWDKSEMKKQRS-UHFFFAOYSA-N 361.313 3.554 5 1 FHBF O=c1c2ccccc2oc2cc(OCCCCN3CCCC3)cc(O)c12 299824823 HUZPZOCKXONTHV-UHFFFAOYSA-N 353.418 3.907 5 1 FHBF Cc1ccc2c3c(cc(Cn4ccc([N+](=O)[O-])n4)nc13)-c1ccccc1C2=O 587099073 WSZLQUJKGXOQHU-UHFFFAOYSA-N 370.368 3.908 5 1 FHBF COc1cc2c(cc1OC)C(/C=C(\O)c1cccc([N+](=O)[O-])c1)=NCC2 101911711 FJKDNJWRGHTCGA-BOPFTXTBSA-N 354.362 3.556 5 1 FHBF CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N)c([N+](=O)[O-])c1 72127526 AQDSLDBDPQOITC-UHFFFAOYSA-N 353.378 3.797 5 1 FHBF COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCC(=O)O)cc1F 587645882 NIKISZDSFUTTKY-UHFFFAOYSA-N 358.325 3.908 5 1 FHBF CC(C)(C)c1ccc(Cn2cc(-c3ccc(O)cc3[N+](=O)[O-])nn2)cc1 2382225648 AZQRGPKBNOKIKJ-UHFFFAOYSA-N 352.394 3.905 5 1 FHBF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cn1 587645444 VNKLALKTLAFAEV-UHFFFAOYSA-N 352.272 3.542 5 1 FHBF O=[N+]([O-])c1ccc2oc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)nc2c1 963107088 OMHZUXHHIHEXHU-ACJLOTCBSA-N 353.353 3.985 5 1 FHBF CC(C)c1nn(C)c2c1[C@@]1(CCCCc3ccc([N+](=O)[O-])cc31)NCC2 962916100 IVUNAIPJOYDWGG-FQEVSTJZSA-N 354.454 3.567 5 1 FHBF CCCCNC(=O)c1cnc(NCCCC)nc1-c1cccc([N+](=O)[O-])c1 82134311 WJBAEUZFIWVONR-UHFFFAOYSA-N 371.441 3.794 5 1 FHBF CN1C(=O)c2c(c3c4ccc(O)cc4[nH]c3c3[nH]c4ccccc4c23)C1=O 85617996 WFTOTSXOKZMMDY-UHFFFAOYSA-N 355.353 3.887 5 1 FHBF in-vitro CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 587268212 OVYJCVLPBBOZKW-UHFFFAOYSA-N 369.303 3.738 5 1 FHBF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cccnc2[nH]1 587054945 NIOPOGIGFSTWCT-AWEZNQCLSA-N 373.800 3.647 5 1 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)NC1C2CC3CC(C2)CC1C3 587646852 MCUYUYCAPSFOCZ-UHFFFAOYSA-N 353.422 3.939 5 1 FHBF COc1ccc(N=c2nc(-c3ccncc3)[nH]c3ccc([N+](=O)[O-])cc23)cc1 1857635014 JJRVFFACHAQQKO-UHFFFAOYSA-N 373.372 3.774 5 1 FHBF CCOC1(OCC)[C@@H]2c3cc([N+](=O)[O-])ccc3[C@H]([n+]3ccccc32)C1(C)C 100714752 SKRRLOCBWJERQK-MOPGFXCFSA-N 369.441 3.726 5 1 FHBF COc1oc([C@H]2CC(=Cc3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 2356841640 XENAWSJFNWCPOG-MRXNPFEDSA-N 357.362 3.718 5 1 FHBF Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 299855066 CXLWBDWOXGMOJR-OAHLLOKOSA-N 374.393 3.740 5 1 FHBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586885348 BXJAZBFXSRKBCQ-MGPLVRAMSA-N 356.338 3.525 5 1 FHBF CC[N+]1(C)CC[C@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 1637077 YSWUASFXPBRSMW-RZVHPXSESA-N 352.498 3.860 5 1 FHBF O=[N+]([O-])c1ccc(/C=C\c2cccc(C(F)(F)P(=O)(O)O)c2)cc1 27098927 MHANQPNHYPHULP-PLNGDYQASA-N 355.233 3.992 5 1 FHBF COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC 96935115 VLPROIUJCCFSTO-UHFFFAOYSA-N 360.389 3.736 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587418579 JEGXXCSNLVYSLY-UGSOOPFHSA-N 359.765 3.920 5 1 FHBF CCOC(=O)c1cnc2c(c1)-c1nc3ccccc3c3ccnc(c13)C2=O 26974412 NJGLKAOBESXCHS-UHFFFAOYSA-N 355.353 3.566 5 1 FHBF CCOc1ccc(C(=O)CN2[C](C)N(C)c3ccccc32)cc1[N+](=O)[O-] 2356845712 DHHPMSFQSXCGDI-UHFFFAOYSA-N 354.386 3.642 5 1 FHBF Cc1cc(N(C)Cc2nc3cc(F)cc(F)c3[nH]2)c([N+](=O)[O-])cc1F 587137187 SATXHEWOJONCPR-UHFFFAOYSA-N 350.300 3.833 5 1 FHBF CN(C)CCN1C(=O)c2c(c3c4ccccc4[nH]c3c3ccccc23)C1=O 13679827 OSJXZPKKXPHJQU-UHFFFAOYSA-N 357.413 3.632 5 1 FHBF O=C(O)c1cccnc1SCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586966676 JBRKLLPZPSZZAK-UHFFFAOYSA-N 364.770 3.510 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587001938 BLOHYPKYGFOYNT-UHFFFAOYSA-N 358.155 3.777 5 1 FHBF O=C(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)OCc1ccccc1 587783188 ZAOGWPPQTUPKRI-UHFFFAOYSA-N 368.396 3.945 5 1 FHBF COc1cccc(-c2cc(O)cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)c1 587931656 CHZTWCRTFUONPU-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF Cc1cccc([C@H](NCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 28466243 VSOSTTBAOBHXAS-HXUWFJFHSA-N 350.422 3.787 5 1 FHBF O=Cc1cc(Br)cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586982717 OQQBPJMQQYQOAT-UHFFFAOYSA-N 364.130 3.852 5 1 FHBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587263058 JYCXRBHRKPAVQS-FKTZTGRPSA-N 356.209 3.530 5 1 FHBF Cc1c(C(=O)c2ccc(C(=O)O)cc2)cc2c(c1[N+](=O)[O-])OCCC2(C)C 653663425 FPFAOKKOOPQSOB-UHFFFAOYSA-N 369.373 3.893 5 1 FHBF Cc1cc2c(cc1F)C1(CCN(c3ccc([N+](=O)[O-])cc3F)CC1)NCC2 962095097 VBWNCEZUGFMBPU-UHFFFAOYSA-N 373.403 3.823 5 1 FHBF O=Cc1ccc(OCc2occc2-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586901150 PIDDZFZZOPMNAK-UHFFFAOYSA-N 364.317 3.518 5 1 FHBF Cc1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1[N+](=O)[O-] 587041440 NSQGUFMBDFPZDG-WBVHZDCISA-N 354.435 3.726 5 1 FHBF C[C@]1(c2ccc([N+](=O)[O-])cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978510 ODNSDCXUXSTFHQ-MRXNPFEDSA-N 365.172 3.994 5 1 FHBF Cc1cc(=O)oc2c1ccc1c(OCC(=O)N3CCCCC3)cccc12 84632396 AIANFGUSOWHLOS-UHFFFAOYSA-N 351.402 3.646 5 1 FHBF CCN(CC)CCC[C@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82161864 RHXGYQHUIDYHKM-HNNXBMFYSA-N 357.458 3.974 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(C)cc1[N+](=O)[O-])[C@@H](C2)C3=O 587434251 SCIJWKUCJSHDGT-MGPUTAFESA-N 353.374 3.661 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587267676 DAWBVIHVXBJKIQ-UHFFFAOYSA-N 371.294 3.997 5 1 FHBF CCCCn1c(=O)c2cc(N)ccc2c2cnc3cc4c(cc3c21)OCO4 26379997 IIZCHNVUQBBGKK-UHFFFAOYSA-N 361.401 3.814 5 1 FHBF CC(=O)C[C@H](c1ccccc1[N+](=O)[O-])c1c(O)oc2ccccc2c1=O 101714262 URSHHHHZAHPNEC-CQSZACIVSA-N 353.330 3.518 5 1 FHBF CCN(CC)CCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21 45354711 MMXAKLUJLSWDEB-UHFFFAOYSA-N 368.437 3.865 5 1 FHBF CCNC(=O)Nc1ccc2cc3ccc(NC(=O)NCC)cc3nc2c1 40848725 JYXYTYVVBIHJOQ-UHFFFAOYSA-N 351.410 3.671 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 587264049 JKORJXWMSPXSSW-UHFFFAOYSA-N 366.255 3.989 5 1 FHBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587649116 QKARHBLFBJYZTP-CQSZACIVSA-N 361.398 3.693 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1cc([N+](=O)[O-])cc4cccnc14)[C@@H](C2)C3=O 587432884 MCMJOFBYRXNALN-YWZLYKJASA-N 362.341 3.640 5 1 FHBF CN(C)c1cc2ncnc(NCCc3ccc(Cl)cc3)c2cc1[N+](=O)[O-] 27633950 PCDQVDJGFHFTKD-UHFFFAOYSA-N 371.828 3.912 5 1 FHBF CC[C@]1(CC[C@@H](C)[N+](=O)[O-])c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962640583 WWKMBPNDCHQVAI-LPMFXHHGSA-N 350.459 3.631 5 1 FHBF CC(C)C[C@]1(c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962899974 OZKOBRRHRXCCJC-AZUAARDMSA-N 372.396 3.623 5 1 FHBF O=c1c(O)c(-c2ccccc2)oc2cc3c(S(=O)(=O)O)cccc3cc12 1857590394 IBSPPJGLHFKRDB-UHFFFAOYSA-N 368.366 3.566 5 1 FHBF COc1c(C(C)=O)c(O)c(OCc2cccc([N+](=O)[O-])c2)c2occc12 13682353 YQJJVDMMQACJSA-UHFFFAOYSA-N 357.318 3.837 5 1 FHBF O=C(c1ccccc1Br)n1ccnc1-c1cccc([N+](=O)[O-])c1 43070226 HCJSBVUVOFJAGQ-UHFFFAOYSA-N 372.178 3.909 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 587268989 GGYFPCKSWYBKFD-UHFFFAOYSA-N 367.148 3.564 5 1 FHBF COc1ccc([C@H](O)[C@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587938144 TVTNBHOGZKDTBW-XXFAHNHDSA-N 361.785 3.970 5 1 FHBF O=c1[nH]ccc2c(Nc3c(Cl)cncc3Cl)nc3ccncc3c12 103239749 VQNQLGQGLJSCSM-UHFFFAOYSA-N 358.188 3.917 5 1 FHBF Nc1ccc(/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 587252027 UOQLJGZCJVSRFW-UTCJRWHESA-N 359.183 3.986 5 1 FHBF O=C(O)CCC(=O)Nc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647329 VZBHPEYELHPZRV-UHFFFAOYSA-N 353.334 3.546 5 1 FHBF Cc1cc(Br)ccc1OCc1nc2cncc([N+](=O)[O-])c2[nH]1 586981298 OKGJUQHABHXYLK-UHFFFAOYSA-N 363.171 3.516 5 1 FHBF c1ccc2nc3cc4[nH]c(Cc5csc6nccn56)nc4cc3nc2c1 587040846 SGVYCNWCHPHJPF-UHFFFAOYSA-N 356.414 3.959 5 1 FHBF CC(C)N(c1ccc([N+](=O)[O-])cc1)c1cc(C(=O)N2CCCC2)n(C)c1 40934573 URANNUDQUCDZRM-UHFFFAOYSA-N 356.426 3.716 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc(COc3ccc(F)cc3)[nH]c12 587168014 CTSSDOQNTQOTNB-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF O=[N+]([O-])c1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl 587051065 XCPGUBQBKPZUMM-DUXPYHPUSA-N 355.741 3.877 5 1 FHBF O=[N+]([O-])c1ccc(OC2[C@@H](n3ccnc3)CCC[C@@H]2n2ccnc2)c(F)c1 40393361 SMWAWEDWJSOCAH-HOTGVXAUSA-N 371.372 3.541 5 1 FHBF C[C@H]1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2c1c2ccc(=O)cc-2oc2cc(O)ccc12 263606911 RKDKSNZPPNIPBB-QFMRAYPJSA-N 362.381 3.840 5 1 FHBF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587233663 VSDRURLDPGHLHW-ONGXEEELSA-N 364.377 3.771 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C[N+](=O)[O-])C2)[C@@H]1c1ccc(F)cc1 587341549 ZBKZYGVBRMAAEA-LIUKBUMOSA-N 371.364 3.706 5 1 FHBF COc1ccc2c(CNCCCCCO)cc3cc4c(cc3c2c1)OCO4 28706130 RCTQBXLXJABBSR-UHFFFAOYSA-N 367.445 3.983 5 1 FHBF COc1ccc(Cl)cc1CNC(=S)Nc1cccc([N+](=O)[O-])c1 84710122 OHYVCOOVJCFVAN-UHFFFAOYSA-N 351.815 3.743 5 1 FHBF CC(=O)N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(C)cc1 587205737 DUSCEUQCERFFTK-AWEZNQCLSA-N 372.812 3.853 5 1 FHBF CC(C)(C)c1ccc([S@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162017 LMCHOJPQAZKODZ-QHCPKHFHSA-N 364.448 3.815 5 1 FHBF O=C(O)Cc1cccc2c(=O)c([N+](=O)[O-])c(-c3ccccc3Cl)oc12 13526438 CKQWHIGCYLOGEE-UHFFFAOYSA-N 359.721 3.649 5 1 FHBF N[C@H](Cc1cc(Cl)c(Cl)c(-c2cccc([N+](=O)[O-])c2)c1)C(=O)O 45392326 JQRAIGBULJUZQZ-CYBMUJFWSA-N 355.177 3.523 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)c([N+](=O)[O-])c1 587872390 WXPSEUMYNMAWSC-UHFFFAOYSA-N 369.352 3.993 5 1 FHBF CO[C@H](C)COC1CCC(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC1 587952294 ODJZYWVKGIISID-VOMCLLRMSA-N 351.378 3.688 5 1 FHBF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260862 JOJCJJFSVKPSFT-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF Cc1cc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2cc1[N+](=O)[O-] 587245569 WGXOFKXYBFOIRX-UHFFFAOYSA-N 353.382 3.826 5 1 FHBF CC(C)N(CNc1ncc2cc3cnccc3c([N+](=O)[O-])c2n1)C(C)C 1857741898 LXUNDGNXUXEVRX-UHFFFAOYSA-N 354.414 3.574 5 1 FHBF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)c(C)c(C)c1O 587943832 PVKLXRFDVZDXCD-UHFFFAOYSA-N 359.151 3.624 5 1 FHBF Cc1cccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)c1 14948526 UJPUVORABIHTSL-GGGSXUAESA-N 367.449 3.988 5 1 FHBF CN1O[C@H]2C(O)=NC(=O)[C@H]2[C@@H]1c1ccc2ccc3cccc4ccc1c2c34 66074953 QWUXYUJJAWUEEM-SLFFLAALSA-N 356.381 3.984 5 1 FHBF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1 587123423 ICWWHHUNDQQRML-WRWORJQWSA-N 366.303 3.642 5 1 FHBF COc1cc(Cc2cc3c4c(cccc4n2)CC3)c([N+](=O)[O-])cc1OC 587210448 BXRYEDYKJZCPNH-UHFFFAOYSA-N 350.374 3.850 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([N+](=O)[O-])ccc1N1CCCC1)O2 587390072 PDWNUTDYRQIOJN-LJQANCHMSA-N 367.405 3.792 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccnc4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O 587431755 RCFRRGJIJPQAMY-VBKZILBWSA-N 362.341 3.640 5 1 FHBF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])o1 587575179 DAXFUUNCETYIDD-CRAIPNDOSA-N 353.286 3.596 5 1 FHBF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2cccc([N+](=O)[O-])c2)n1 66079236 MLTUOSIWYGSORB-UHFFFAOYSA-N 361.313 3.554 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(CO)ccc3F)[nH]c12 587140138 GZDMIJJOZIFJGA-UHFFFAOYSA-N 366.146 3.532 5 1 FHBF CN(C)CCN1C(=O)c2ccc(Cl)c3cc4ccccc4c(c23)C1=O 29392868 PNJBWRVLONEYNP-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF Cc1nccn1-c1nc(N(C)Cc2ccccc2)nc(C(C)C)c1[N+](=O)[O-] 40567293 GLGXPPAIBBXBJV-UHFFFAOYSA-N 366.425 3.639 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1cc(C)cc([N+](=O)[O-])c1OC)[C@@H](C2)C3=O 587431799 GTOBEHVMKRMOPK-RBZFPXEDSA-N 369.373 3.583 5 1 FHBF O=[N+]([O-])c1cc(-c2nnc(SC3CCCCC3)o2)cc([N+](=O)[O-])c1 1772655965 DCTZQVHWNKWSBK-UHFFFAOYSA-N 350.356 3.978 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc(C(F)(F)c3ccccn3)[nH]c12 587089448 RKMTVKPFOGFQLH-UHFFFAOYSA-N 369.125 3.769 5 1 FHBF C[C@]12CC[C@@H]3c4ccc(OCCCO)c([N+](=O)[O-])c4CC[C@H]3[C@H]1CCC2=O 263591070 UROCJSOQPSTRCB-SZUSHISOSA-N 373.449 3.781 5 3 FHBF COc1cc2cc3c4c(c(OC)c5c(c4c2cc1OC)OCO5)CCN3C 14616200 NKLJXRAXPUMTJG-UHFFFAOYSA-N 367.401 3.740 5 1 FHBF biogenic O=[N+]([O-])c1ccc2c3c1oc1ccccc1c3nn2CCN1CCCC1 28527702 NRKLKKUUXQPKNS-UHFFFAOYSA-N 350.378 3.940 5 1 FHBF O=C(NCCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCc1ccccc1 587228171 HMKQKFLCPVXNSN-UHFFFAOYSA-N 374.784 3.593 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)ccnc2[nH]1 587262974 ITHXADHCSBDNBU-LLVKDONJSA-N 370.365 3.526 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)CC2=O 587472785 NADBNOXNENJAIQ-QGZVFWFLSA-N 372.333 3.868 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ncccc2[N+](=O)[O-])N1 587743446 AQWCBQGTVFNSJC-GLEZIHRCSA-N 366.190 3.515 5 1 FHBF O=C(NCCc1nc(-c2ccccc2F)cs1)c1cccc([N+](=O)[O-])c1 653856990 FTIPLHWTNMMMGO-UHFFFAOYSA-N 371.393 3.830 5 1 FHBF O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])C(C(F)(F)F)C(F)(F)F 68573846 WWTYUWQOHBBBRH-UHFFFAOYSA-N 350.602 3.928 5 1 FHBF biogenic O=[N+]([O-])c1cccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c12 587075599 FLUXPJJKGOGIOW-UHFFFAOYSA-N 369.768 3.960 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 587159222 NGJCIFZMKTWCPO-UHFFFAOYSA-N 356.235 3.603 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccnc(Cl)c2[nH]1 587266977 RBFIWLBCLKFWGE-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF CN(C)CCN1C(=O)c2cccc3cc4cc(Cl)ccc4c(c23)C1=O 27555328 XKTKDBNRUFHZHB-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 20642558 NNYMXDBEWSHIPC-NSHDSACASA-N 366.402 3.507 5 1 FHBF Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccccc1)c1ccccc1F 28466765 CRNGNLFPGORTLU-LJQANCHMSA-N 354.385 3.618 5 1 FHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1 587272977 GGKCTWAAVHLCJS-UHFFFAOYSA-N 373.722 3.973 5 1 FHBF O=c1c2sc3ncc4cn[nH]c4c3c2ncn1-c1ccc(Cl)cc1 28827143 LKBNBRKQCADHSO-UHFFFAOYSA-N 353.794 3.525 5 1 FHBF O=[N+]([O-])c1nccn1CCCNc1nc(-c2ccccc2)nc2ccccc12 73167010 GAZPVYPDKZGUQF-UHFFFAOYSA-N 374.404 3.904 5 1 FHBF CCN1Cc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)[C@@H](O)C1 72317697 YDGQYKBAQLQULF-IBGZPJMESA-N 367.445 3.888 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1n[nH]c3cc([N+](=O)[O-])ccc13)CC2=O 587469458 FGGRQYWQPDLVDV-KRWDZBQOSA-N 367.361 3.836 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(CO)ccc3F)[nH]c12 587139937 AVDLWJXSTBBARR-UHFFFAOYSA-N 366.146 3.532 5 1 FHBF O=[N+]([O-])c1ccc([C@@H]2C[C@H]3Cc4cc(OC(F)(F)F)ccc4N2O3)o1 169551412 BVQSSPVXVNXSRY-PWSUYJOCSA-N 356.256 3.894 5 1 FHBF O=C(c1ccccc1Br)n1ccnc1-c1ccccc1[N+](=O)[O-] 43015891 DUMBBRRGIOSKKY-UHFFFAOYSA-N 372.178 3.909 5 1 FHBF O=C(O)c1cc2c([nH]c3ccccc32)c(=O)c(-c2c[nH]c3ccccc23)n1 238753930 HXPOCXMJHZGMQC-UHFFFAOYSA-N 355.353 3.923 5 1 FHBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586962266 CTQXTEARCPDCEO-GFCCVEGCSA-N 363.374 3.658 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)O2 587382175 PFDVMQFUZBHARG-GOSISDBHSA-N 362.332 3.730 5 1 FHBF O=Cc1c(-c2ccc([N+](=O)[O-])cc2)nc2sc(Br)cn12 73140731 CUJHRWLEWGPAGI-UHFFFAOYSA-N 352.169 3.546 5 1 FHBF CN(C)CCNc1nccc2c1ccc1c3cc4c(cc3cnc21)OCO4 49803638 CCUOZNAFNQHSNV-UHFFFAOYSA-N 360.417 3.638 5 1 FHBF CC1=NC(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)OC1CCCCCC1 169719450 DTMVWMPJOCXANI-DLBZAZTESA-N 373.409 3.702 5 1 FHBF COc1cc2c3c(c(C=O)c4cc5c(cc4c3c1OC)OCO5)NCC2 15217416 PBGLICJVTMTVRW-UHFFFAOYSA-N 351.358 3.519 5 1 FHBF biogenic CCN(CC)CCn1[nH]c2c3c(O)cccc3nc3c([N+](=O)[O-])ccc1c32 27526529 RGHKSSCXJSOXSY-UHFFFAOYSA-N 367.409 3.626 5 1 FHBF O=C(Nc1cccc([N+](=O)[O-])c1)C(Cl)(C(F)(F)F)C(F)(F)F 68574197 SWAARJVNPURFKE-UHFFFAOYSA-N 350.602 3.636 5 1 FHBF biogenic CCCCOCCOC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086430 SCRIRQKABLJBJH-UHFFFAOYSA-N 350.396 3.692 5 1 FHBF COC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cn1 587245578 WKVVGFBGMMBNKB-UHFFFAOYSA-N 370.372 3.900 5 1 FHBF CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+](=O)[O-])o1 13726478 NEZXWTGSAGKVIL-UHFFFAOYSA-N 353.419 3.734 5 1 FHBF CC(C)(C)NC[C@@H](O)CON=c1c2ccccc2ccc2ccccc12 169326587 KYOIHDXWCDZLBS-GOSISDBHSA-N 350.462 3.574 5 1 FHBF Nc1nc2oc3cc(F)c(CCC4CCCC4)cc3c(=O)c2cc1C(=O)O 1857653954 NHFYQPMBJRHDCQ-UHFFFAOYSA-N 370.380 3.884 5 1 FHBF CCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc([N+](=O)[O-])c1O 587389651 MPCXJMMXEDZZQC-MRXNPFEDSA-N 372.377 3.686 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1F 587149483 SZEKUUHZVDUPFJ-UHFFFAOYSA-N 367.239 3.511 5 1 FHBF CC(C)OC(=O)C1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC(F)(F)C1 587130798 RSIDUINDGWDESX-UHFFFAOYSA-N 373.743 3.743 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2cc1[N+](=O)[O-] 586887427 IANVLNQDOOTKDG-XIKOKIGWSA-N 350.334 3.751 5 1 FHBF O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)Oc2c1ccc1c2CCCC1 587512420 NRBKXFFXUOMJBF-KRWDZBQOSA-N 367.357 3.909 5 1 FHBF O=[N+]([O-])c1ccc(CN2CCC[C@H](Nc3ccc4n[nH]cc4c3)C2)cc1 28640382 OUOPQLSJLBGMFE-KRWDZBQOSA-N 351.410 3.548 5 1 FHBF COc1ccc(-c2csc(Nc3ccc([N+](=O)[O-])cn3)n2)cc1OC 621430165 CMKFMXXDDKEKJG-UHFFFAOYSA-N 358.379 3.874 5 1 FHBF COc1c([N+](=O)[O-])cc(C)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587391826 ZJJGYMFCPARABL-LJQANCHMSA-N 356.378 3.683 5 1 FHBF CCCNCCc1cc(O)c(OC)c2c1ccc1cc(O)c(OC)cc12 34095127 OSULCXKVLVUWCU-UHFFFAOYSA-N 355.434 3.964 5 1 FHBF O=C(COc1ccc(-c2ccccc2)cc1)Nc1ncc([N+](=O)[O-])s1 653883071 IDHQCSULXAOPMI-UHFFFAOYSA-N 355.375 3.736 5 1 FHBF Cc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1C 587117949 MLVNYNPQJILNRW-UHFFFAOYSA-N 353.304 3.660 5 1 FHBF COc1ccc(Cl)c2c1CCN[C@]2(C)CC(=O)c1ccc([N+](=O)[O-])cc1 963271129 SPUMPHPUNMDTEJ-LJQANCHMSA-N 374.824 3.891 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2[N+](=O)[O-])N1 587749217 CTPDMSHPJPVLJU-MURWCNHISA-N 357.223 3.537 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(O)c2[nH]1 587263202 KQJWBJCDIULSCK-SNVBAGLBSA-N 371.349 3.528 5 1 FHBF Cc1cccc2[nH]c3c(c(O)cc4[nH]c5cccc(C)c5c(=O)c43)c(=O)c12 5741493 COKVHPUHRWBQGA-UHFFFAOYSA-N 356.381 3.998 5 1 FHBF C[C@H]1CCCC[C@H]1NC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957364 HRFVYMUPNLUVES-BLLLJJGKSA-N 369.852 3.810 5 1 FHBF CC[C@H](C)OC(=O)C1=C(C)NC(SC)=N[C@H]1c1cccc([N+](=O)[O-])c1 299858360 QXXZQMQZGXHZGR-BONVTDFDSA-N 363.439 3.574 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)cc([N+](=O)[O-])c1O)CC2=O 587473248 RPMSCZFDXZEIOL-QGZVFWFLSA-N 373.361 3.674 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc([N+](=O)[O-])cc14)[C@@H](C2)C3=O 587434440 VLKAFSPZFDJWLM-DJJJIMSYSA-N 350.330 3.573 5 1 FHBF COC(=O)c1ccnc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 587264174 CQHRNOGVJRKAJT-UHFFFAOYSA-N 364.317 3.580 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1F 587139372 IMQQSWUYNMBJKV-UHFFFAOYSA-N 354.656 3.978 5 1 FHBF Oc1c(I)cc(Cl)c2nc3ccccc3nc12 653895030 RXOKFTLUVUOYSE-UHFFFAOYSA-N 356.550 3.747 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c12 587092061 AKDJOHYVMYAHGN-WHFBIAKZSA-N 350.094 3.899 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)O2 587389477 KYYOHDCITICOAA-LJQANCHMSA-N 367.405 3.792 5 1 FHBF CC[N@@+]12CCc3cc4c(cc3[C@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 253668209 WMQSUNYBOBDAGR-JPYJTQIMSA-N 368.453 3.623 5 1 FHBF COc1ccc(C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 653705352 WQSNLZCMRCTBDR-UHFFFAOYSA-N 362.337 3.880 5 1 FHBF O=[N+]([O-])c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1[N+](=O)[O-] 587107000 GGFGEVHSUHIWJH-UHFFFAOYSA-N 366.255 3.989 5 1 FHBF CC(C)(C)c1ccc([S@@]2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1 73162016 LMCHOJPQAZKODZ-HSZRJFAPSA-N 364.448 3.815 5 1 FHBF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587386665 VYQRHEAPSCACIH-GOSISDBHSA-N 360.341 3.514 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2[N+](=O)[O-])N1 587749216 CTPDMSHPJPVLJU-LYSGOOTNSA-N 357.223 3.537 5 1 FHBF O=[N+]([O-])c1cn2c(n1)OC[C@H](COc1ccc(-c3ccc(F)cc3)cc1)C2 115608845 VCENEFJSXTYRJF-ZDUSSCGKSA-N 369.352 3.685 5 1 FHBF Cc1nc(Br)sc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587011312 NGTCYPLMMOIXII-UHFFFAOYSA-N 357.164 3.805 5 1 FHBF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 587638455 LQWSPRKOWWYWBV-UHFFFAOYSA-N 373.752 3.988 5 1 FHBF O=C1[C@H]2[C@H]3C=C[C@@H](CCC3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12 101027474 DPIBWBIMTOFSKN-YJZQOORCSA-N 362.385 3.840 5 1 FHBF Cn1nc([N+](=O)[O-])cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105190 RXVVLABXZXYBKC-UHFFFAOYSA-N 356.341 3.755 5 1 FHBF COc1ccc([N+](=O)[O-])cc1[C@H](O)Cc1cc2c3c(cccc3n1)CC2 587211778 WRJSOKRBPYJNIE-GOSISDBHSA-N 350.374 3.526 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3ccc([N+](=O)[O-])cc3CC1)O2 587388979 IJDCRZGBMXUNEP-HXUWFJFHSA-N 352.390 3.768 5 1 FHBF O=[N+]([O-])c1ccc(CCN2CCC(c3ccc([N+](=O)[O-])cc3)CC2)cc1 26728915 BQQOLBBKDDPNMZ-UHFFFAOYSA-N 355.394 3.925 5 1 FHBF O=[N+]([O-])c1cccc(CNCC2CCN(CCc3ccccc3)CC2)c1 45325190 WXBSXWFSOIFJGM-UHFFFAOYSA-N 353.466 3.639 5 1 FHBF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 586973104 NSGFNNRJMGOSIH-OAHLLOKOSA-N 370.434 3.582 5 1 FHBF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260807 GCMZRAJKPRKNLT-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 103181236 IAIYSMCYXPLYLP-UHFFFAOYSA-N 360.313 3.723 5 1 FHBF C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@H]1c1cccnc1 263602497 MJRIWDXWCJJQJG-LIOHBJMPSA-N 352.526 3.740 5 1 FHBF Cc1c2c3ccccc3nc-2n(C)c2ccc(NC(=O)[C@@H]3CCCN3)cc12 169309430 UUNIKECYNWRJGK-SFHVURJKSA-N 358.445 3.830 5 1 FHBF CN(C)CCN1C(=O)c2cccc3c2c(cc2c(Cl)cccc23)C1=O 26825651 CAKXOJFFTHNJBL-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF COc1ccc(CNC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 72182237 KMZKYLKHZUIUFF-UHFFFAOYSA-N 358.379 3.535 5 1 FHBF Cc1nn(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c(C)c1Cl 587064330 ABZSYXSDZUQTFS-UHFFFAOYSA-N 368.784 3.989 5 1 FHBF Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2ncnc(NCc3ccccc3)c21 58603221 MBPGSWYXOYORGA-UHFFFAOYSA-N 360.377 3.551 5 1 FHBF COc1ccc(/C=C/c2ccc3c([N+](=O)[O-])cc(C(=O)O)c(O)c3n2)cc1 28957937 WAOUXWBIGCPABG-GORDUTHDSA-N 366.329 3.726 5 1 FHBF CCCCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)[nH]c2ccccc21 40564751 KZARFRTZPVVAIU-UHFFFAOYSA-N 352.394 3.809 5 1 FHBF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645949 GAONTKWRIAGWMR-UHFFFAOYSA-N 364.279 3.871 5 1 FHBF Cc1ccc2c(=O)c3c(O)cc(OCCCCCO[N+](=O)[O-])cc3oc2c1 1857748479 JHSOUTMAMCMRRN-UHFFFAOYSA-N 373.361 3.718 5 1 FHBF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C 82174402 FVWORKGYBKNXHJ-UHFFFAOYSA-N 365.393 3.924 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1c([N+](=O)[O-])cccc1[N+](=O)[O-])CC2=O 587468691 CRRRQTPOWDSGBW-INIZCTEOSA-N 372.333 3.868 5 1 FHBF COc1ccc(-c2nnc(-c3c([N+](=O)[O-])ccc(F)c3F)o2)c(F)c1 49112491 JPDMEVRSFLPTSW-UHFFFAOYSA-N 351.240 3.738 5 1 FHBF O=C1C[C@H](c2cc([N+](=O)[O-])c(O)cc2O)Oc2c1ccc1c2CCCC1 587511686 RMEVMQABRANBAR-GOSISDBHSA-N 355.346 3.591 5 1 FHBF O=[N+]([O-])c1ccc([S@@](=O)(=NSC(F)(F)F)N2CCCCC2)cc1 1857594496 CGJWNEWRNYOCCA-HSZRJFAPSA-N 369.390 3.991 5 1 FHBF O=Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512280 WKQYOKCIDPSZHQ-LJQANCHMSA-N 351.358 3.993 5 1 FHBF COc1ccc2c(c1OC)[C@@](C)(c1cc([N+](=O)[O-])ccc1F)N(C)[C@@H](C)C2 962617221 AXBWQOGTHAUZMX-FKIZINRSSA-N 374.412 3.891 5 1 FHBF O=C(c1ccco1)N1CCN(c2nc3ccccc3c3ccccc23)CC1 1772616053 OWVQABAJYNECKE-UHFFFAOYSA-N 357.413 3.943 5 1 FHBF COc1ccc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)cc1 29339664 HAINJKODIXQCAK-HXUWFJFHSA-N 367.405 3.915 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587267123 FSICXANYEVVSJG-SSDOTTSWSA-N 357.267 3.743 5 1 FHBF O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)cc2)N1c1ccc([N+](=O)[O-])cc1 1772592886 YTECCFPLCQOSNJ-IRXDYDNUSA-N 357.797 3.758 5 1 FHBF Cc1c2ccccc2nc2c1c1cc(NC(=O)[C@@H]3CCCN3)ccc1n2C 95560100 HBCKDPUIFQMPID-SFHVURJKSA-N 358.445 3.879 5 1 FHBF COc1ccc2c(c1)[nH]c1c3cnc4ccccc4c3c3c(c21)C(=O)NC3=O 13488707 QLTTUNKHFSACML-UHFFFAOYSA-N 367.364 3.915 5 1 FHBF COc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261146 WABQLTXTRZILGF-UHFFFAOYSA-N 353.256 3.573 5 1 FHBF Cc1ccc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c1 587078901 CWBLILRPZRPTSK-UHFFFAOYSA-N 372.772 3.641 5 1 FHBF COc1ccc(C[C@@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 587926214 KYCKRICWYAELGJ-SNVBAGLBSA-N 359.357 3.974 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(O)c2[nH]1 587263197 KQJWBJCDIULSCK-JTQLQIEISA-N 371.349 3.528 5 1 FHBF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587109002 KTNMPEGPJAWJEF-UHFFFAOYSA-N 351.240 3.855 5 1 FHBF O=[N+]([O-])c1ccc([S@@](=O)(=NSC(F)(F)F)N2CCCC2)cc1 1857578033 YMFDGZHDNRZKDC-JOCHJYFZSA-N 355.363 3.601 5 1 FHBF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1 28229260 MWMNDMPVPIGLOT-UHFFFAOYSA-N 351.771 3.530 5 1 FHBF O=C(O)CCC[C@@H]1[C@H]2CCC[N+]3([O-])CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 72113633 GSSHMZUWXVVKBL-RZQKWFAGSA-N 372.509 3.629 5 1 FHBF C[N+]1(C)CCC[C@@H]1[C@@H]1C[S@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40974442 VPWKHNIBDCHPNN-FBROZUCGSA-N 362.559 3.806 5 1 FHBF COc1ccc2c(=O)cc3n(CCCN(C)C)c4ccccc4nc-3c2c1 299866685 WEJNHZANNDNXMD-UHFFFAOYSA-N 361.445 3.615 5 1 FHBF COc1cc(OCc2nc3cc(Cl)cc(F)c3[nH]2)ccc1[N+](=O)[O-] 587262893 HENJMGAVCNAOGD-UHFFFAOYSA-N 351.721 3.851 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1F 587077231 SCPLVXCARQAZDR-OAHLLOKOSA-N 360.732 3.881 5 1 FHBF COc1ccc([N+](=O)[O-])c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514453 YOSQZMPKCWFGMQ-MRXNPFEDSA-N 354.362 3.584 5 1 FHBF O=C(O)c1cn(C2CC2)c2c(cc(F)c3c4ccc(F)cc4[nH]c32)c1=O 58576572 XQNPXLCCTHGBRO-UHFFFAOYSA-N 354.312 3.947 5 1 FHBF O=C(Nc1ccccc1[N+](=O)[O-])C(Cl)(C(F)(F)F)C(F)(F)F 68574208 IPSJBJVDQQCNHI-UHFFFAOYSA-N 350.602 3.636 5 1 FHBF biogenic COCCNc1ccc(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1[N+](=O)[O-] 587262500 VFYOTMJWLIYNCR-UHFFFAOYSA-N 364.764 3.989 5 1 FHBF Cc1cc(OCc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)ccc1Cl 653795396 YJPGJYFITTVEHF-UHFFFAOYSA-N 358.785 3.775 5 1 FHBF CCCCOc1c([N+](=O)[O-])c2n(c1C)CCN2Cc1ccc(Cl)nc1 103185822 JXCDUQNDNWBZQC-UHFFFAOYSA-N 364.833 3.952 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 586916148 KSDHGJNLLACAHD-YJYMSZOUSA-N 351.362 3.688 5 1 FHBF O=[N+]([O-])c1cc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2cc1F 587165280 OMPDXNDWBCJVOP-UHFFFAOYSA-N 355.304 3.661 5 1 FHBF C[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277265 RSCPBJWUJCKJDC-ZCFIWIBFSA-N 359.695 3.949 5 1 FHBF COC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1cccc(Cl)c1 587644726 LNHMQASSDJAVKP-UHFFFAOYSA-N 358.737 3.747 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1F 587092706 ZGSMYXDGGSLXBI-UHFFFAOYSA-N 356.235 3.613 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587007473 ZCYAPACFOZDXMZ-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586964126 VPEDZNNTJDGHSQ-CYBMUJFWSA-N 359.411 3.827 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccncc2[N+](=O)[O-])N1 587749246 CZSNBYAJUSKNEC-GLEZIHRCSA-N 366.190 3.515 5 1 FHBF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccc([N+](=O)[O-])cc1 1857771413 HIBFAFDEIRSOLL-AWEZNQCLSA-N 366.314 3.762 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N)ccc1[N+](=O)[O-])CC2=O 587473081 PRGZPRUOSFKWRC-LJQANCHMSA-N 356.378 3.716 5 1 FHBF O=[N+]([O-])c1ccc2c(Cl)nnc(NCc3ccc4c(c3)OCO4)c2c1 4199949 DJHQLUUIYVIMBK-UHFFFAOYSA-N 358.741 3.532 5 1 FHBF COc1ccc2cc([C@H](c3ccc([N+](=O)[O-])cc3)n3cncn3)oc2c1 13680632 YXCBVWXENGIHRM-SFHVURJKSA-N 350.334 3.579 5 1 FHBF O=[N+]([O-])c1cccc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587005182 AXTBQBWBXBQJJG-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587080237 NYQIATUZCULKPO-GFCCVEGCSA-N 373.775 3.987 5 1 FHBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1O 299838136 LIHCAZXMHZTCJW-HNNXBMFYSA-N 350.783 3.732 5 1 FHBF Cc1c2ccccc2nc2c1c1cc(NC(=N)N)ccc1n2CCN(C)C 653761023 ZEEXIGLWWSMYPD-UHFFFAOYSA-N 360.465 3.518 5 1 FHBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(Cl)c2[nH]1 587116542 GPTXNHPTTBRODL-UHFFFAOYSA-N 359.695 3.697 5 1 FHBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1NC(=O)OC(C)(C)C 587646481 BJNBXAZMJTUVQC-UHFFFAOYSA-N 363.370 3.529 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(Cl)nc2[nH]1 587264908 AOQGHZMBORPQDN-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])o2)N1 587754452 YVPLKBQRXZSUKB-NXSYQRQQSA-N 355.163 3.713 5 1 FHBF Cc1ccc(C)c2[nH]c(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)nc12 587118067 NGNCQQBYJKASML-UHFFFAOYSA-N 353.304 3.660 5 1 FHBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(Cl)ccc1O 2475355 TUSVNHHAQMVEKR-OAHLLOKOSA-N 350.783 3.732 5 1 FHBF O=[N+]([O-])c1cc([N+](=O)[O-])c(NNc2ccccc2)c([N+](=O)[O-])c1Cl 68582658 BTXRPSQQSNGMAA-UHFFFAOYSA-N 353.678 3.504 5 1 FHBF biogenic CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc([N+](=O)[O-])s1 73169666 DFBXSDPQWBQIAF-AWEZNQCLSA-N 351.771 3.549 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3cc(Br)ccc3Cl)[nH]c12 586979774 ATBPMGZOLBIRQA-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF Cc1oc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc1[N+](=O)[O-] 587268723 KEBIQZHDQWGXCE-UHFFFAOYSA-N 367.115 3.710 5 1 FHBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C(=O)O)cccc12 587637310 AYPPIXUXWBXPTD-UHFFFAOYSA-N 354.318 3.618 5 1 FHBF CCCSC(=O)COC(=O)c1c2c3cccc4cccc(c-2nc1=O)c43 71296027 HDHRKOOZUAUIMT-UHFFFAOYSA-N 365.410 3.555 5 1 FHBF Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2c3ccccc3nc-2c1O 100705243 MLJBHBYTRDVQLW-UHFFFAOYSA-N 366.402 3.979 5 1 FHBF Cc1c(Br)ccc2nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587275671 FQWARZNKHLUGMA-MRVPVSSYSA-N 364.203 3.542 5 1 FHBF C[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587277101 PCIZJIDMHDQAOB-ZCFIWIBFSA-N 359.695 3.949 5 1 FHBF Cc1nn(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1[N+](=O)[O-] 587512490 ONVBFVMGXZYCEY-FQEVSTJZSA-N 369.421 3.711 5 1 FHBF CC(=O)Nc1cc(-c2nnc(SCc3ccccc3)o2)cc([N+](=O)[O-])c1 1772634099 ZGVIOUKDVNMGPM-UHFFFAOYSA-N 370.390 3.896 5 1 FHBF O=[N+]([O-])c1cncc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077491 ZCYVLWXDEFENGD-UHFFFAOYSA-N 367.752 3.954 5 1 FHBF CCCC/C=C/COC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719471 QNRANBVANXKCIX-NGHLMZTLSA-N 373.409 3.726 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)[C@@H](O)CN(CCCCCc1ccccc1)CC2 1857762739 JXXFBOLXJCMBFX-NRFANRHFSA-N 354.450 3.899 5 1 FHBF COc1cccc2[nH]c3c4ccc5ccn(C)c5c4c4c(c3c12)C(=O)NC4=O 13534921 HPDJRLYLFMFOQF-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF COc1ccc2c(c1OC)[C@@H](c1ccc([N+](=O)[O-])cc1C)N(C)[C@@H](C)C2 962632828 PDIMJPIMQPGZBK-ORAYPTAESA-N 356.422 3.886 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)c(O)nn2Cc1ccccc1CN1CCCCC1 40939730 YJVXTVUXEBTTSP-UHFFFAOYSA-N 366.421 3.684 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccnc4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O 587431756 RCFRRGJIJPQAMY-XOBRGWDASA-N 362.341 3.640 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 587269506 FAHGWVKBQSTJIC-UHFFFAOYSA-N 374.356 3.971 5 1 FHBF Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N+](C)([O-])[C@@H]2N3C)cc1 14948533 CMPDHSGHPWRRMQ-GGGSXUAESA-N 367.449 3.988 5 1 FHBF Cn1c2ccccc2c2c3nc(N)[nH]c(=O)c3c3c4ccccc4n(C)c3c21 84690620 CGXNLGCIRYNXHX-UHFFFAOYSA-N 367.412 3.795 5 1 FHBF O=C(Nc1ccc(O)c(Sc2nncs2)c1)c1ccc([N+](=O)[O-])cc1 96932738 WXRKEQUFTQCSCR-UHFFFAOYSA-N 374.403 3.555 5 1 FHBF O=c1oc2c(ccc3ccccc32)c(=O)n1-c1ccc(Cl)c([N+](=O)[O-])c1 169324330 UMALSCAYQNIHEN-UHFFFAOYSA-N 368.732 3.659 5 1 FHBF C[N@+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 254120917 UOBMQJGLFUHOEX-LKZRYDKBSA-N 366.481 3.717 5 1 FHBF in-vitro C[N@@+]1(C[C@@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 261174476 UOBMQJGLFUHOEX-WGNYYXNJSA-N 366.481 3.717 5 1 FHBF COC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1cc2c3c(cccc3n1)CC2 587211763 VVWOZHOZCUFPKA-LFIBNONCSA-N 360.369 3.955 5 1 FHBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)NCCc2cc(Cl)ccc21 963390444 JRMTZCXITHJZLR-IBGZPJMESA-N 358.825 3.982 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(-c3ncccc3Cl)[nH]c12 587065763 XEJRKNPLNOHKOO-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF O=[N+]([O-])c1cc(F)cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587160092 GHKIWCJRMLVEKJ-UHFFFAOYSA-N 361.642 3.691 5 1 FHBF O=[N+]([O-])c1c(Br)ccc2nc(CCc3cccc(O)c3)[nH]c12 586897227 VWDPXTKUYDUHEQ-UHFFFAOYSA-N 362.183 3.724 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1[N+](=O)[O-])(C1CC1)O2 587389141 JFAKESBDMWQNSN-HXUWFJFHSA-N 352.390 3.842 5 1 FHBF COc1ccc2c(c1)[nH]c1c2sc2c1c(=O)c(C(=O)O)cn2C1CC1 71316891 IDAISBQLJLQTMR-UHFFFAOYSA-N 354.387 3.739 5 1 FHBF NC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587243803 RBBBSAMRHLAMTN-UHFFFAOYSA-N 354.373 3.817 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587872460 YEBFCZOLDTUOBR-UHFFFAOYSA-N 367.340 3.862 5 1 FHBF Cn1cc([N+](=O)[O-])cc1-c1nnc(Cc2ccc(F)c3ccccc23)o1 103281361 KSBZJPXGFBHZNW-UHFFFAOYSA-N 352.325 3.866 5 1 FHBF CC[N+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 35982932 QEFMNEDYHHFZNB-XNUZUHMRSA-N 368.453 3.623 5 1 FHBF COc1ccc2c(c1OC)C[N@@+]1(C)CCc3cc4c(cc3[C@@H]1[C@@H]2C)OCO4 299847380 GZNCBZYICREQER-VJHPCUNCSA-N 368.453 3.794 5 1 FHBF COc1ccc(-c2n[nH]c3ncc(-c4cc([N+](=O)[O-])ccc4N)cc23)cc1 169329634 GZKXNQCQEWNUOU-UHFFFAOYSA-N 361.361 3.791 5 1 FHBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587269458 CIZWJBPSHKVNGC-LBPRGKRZSA-N 368.290 3.872 5 1 FHBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587272916 BIIULOLMPVSRJR-LLVKDONJSA-N 373.376 3.568 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)cc2c(O)nc(=Nc3ccccc3)oc12 1857550371 XVHQQUKNNWLCIL-UHFFFAOYSA-N 351.240 3.693 5 1 FHBF Cc1cc(NC(=O)Cc2ccc(F)cc2)nc2c1c(=O)oc1ccccc12 6472099 RKVPEGSEXMMBLU-UHFFFAOYSA-N 362.360 3.970 5 1 FHBF C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC[C@H](O)c1cccc(C(F)(F)F)c1 45211040 QSVMUXQZRHDURM-SJCJKPOMSA-N 368.355 3.868 5 1 FHBF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586971915 BHNVRCUTGQQFJV-KRWDZBQOSA-N 370.434 3.582 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)O2 587389122 JDFKLAHACMZPAI-HXUWFJFHSA-N 368.389 3.907 5 1 FHBF O=[N+]([O-])c1cc2nc(CCc3cc4ccccc4o3)[nH]c2cc1[N+](=O)[O-] 586909591 YTMRCOCUSDMZRY-UHFFFAOYSA-N 352.306 3.911 5 1 FHBF Cc1c(-c2nc3cc(F)cnc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979710 ILRZLUGYOBMLEJ-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587646649 ZDQNJUNYSJBKFI-UHFFFAOYSA-N 360.272 3.920 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])cn2)N1 587751763 OOULDIBEPXYALY-ANRSDYALSA-N 366.190 3.515 5 1 FHBF C[N@+]1(C[C@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@@H](OC(=O)c1ccccc1)C2 263621100 UOBMQJGLFUHOEX-ZMNKMHGQSA-N 366.481 3.717 5 1 FHBF in-vitro O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C[N+](=O)[O-])C2)[C@H]1c1ccc(F)cc1 587341552 ZBKZYGVBRMAAEA-OACQNMCBSA-N 371.364 3.706 5 1 FHBF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587386666 VYQRHEAPSCACIH-SFHVURJKSA-N 360.341 3.514 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc5ccccc5cc4[nH]3)nn2)c1 587269695 MLOGVOSSIHXQIE-UHFFFAOYSA-N 356.345 3.872 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3cc(F)cnc3[nH]2)c(C)c1[N+](=O)[O-] 587267563 NHJFYJOXXPQPTB-UHFFFAOYSA-N 366.356 3.534 5 1 FHBF O=c1c2ccccc2c2nc3ccccn3c2n1Cc1ccc2c(c1)OCO2 103232327 CSSXXDOHERMEHX-UHFFFAOYSA-N 369.380 3.579 5 1 FHBF C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 20642560 NNYMXDBEWSHIPC-LLVKDONJSA-N 366.402 3.507 5 1 FHBF CN(C)CCCN1c2ccc([N+](=O)[O-])cc2CCc2cc([N+](=O)[O-])ccc21 5140425 MKXUVDRBPODBNG-UHFFFAOYSA-N 370.409 3.691 5 3 FHBF CC(C)C[C@@H](NC(=O)OC(C)(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1 29340488 SBOCNTMJALJXQH-AWEZNQCLSA-N 352.387 3.649 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2[N+](=O)[O-])N1 587751506 NCOURNBDFKVCKO-ZWZTZDBGSA-N 357.223 3.537 5 1 FHBF COc1cc(OC)c(Nc2ncnc3ccc([N+](=O)[O-])cc23)cc1Cl 653716296 RWKUXLBKUXWIBS-UHFFFAOYSA-N 360.757 3.952 5 1 FHBF O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3ccncc3)nc12 28368514 ZORNWEIYAPNPTJ-UHFFFAOYSA-N 359.345 3.785 5 1 FHBF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646606 XEKKBENZBQRQAB-UHFFFAOYSA-N 360.272 3.973 5 1 FHBF COc1cc2c3c(c1)O[C@]1(CCCc4c([N+](=O)[O-])cccc41)[C@@H](C2)C3=O 587432327 WENUDNFPBZHSQK-YWZLYKJASA-N 351.358 3.583 5 1 FHBF CCN(CC)[S@](=O)(=NSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 1857560644 DGSBMOPWUIMRRU-JOCHJYFZSA-N 357.379 3.847 5 1 FHBF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587938141 TVTNBHOGZKDTBW-ABKXIKBNSA-N 361.785 3.970 5 1 FHBF Cc1cc(N(C)Cc2nc3cc(F)c(F)cc3[nH]2)c([N+](=O)[O-])cc1F 587137001 OGDJOZBROPTMNC-UHFFFAOYSA-N 350.300 3.833 5 1 FHBF CC(C)(C)c1ccc(COCC[C@H]2CCn3cc([N+](=O)[O-])nc3O2)cc1 473090246 VSHCLQYQJMERDS-MRXNPFEDSA-N 359.426 3.847 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)cc1[N+](=O)[O-])CC2=O 587473342 SFQVWQLDHOGIMW-QGZVFWFLSA-N 373.361 3.674 5 1 FHBF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c([N+](=O)[O-])c1 587260873 JYQIZSSUOLSGTE-UHFFFAOYSA-N 369.164 3.857 5 1 FHBF O=[N+]([O-])c1cn2c(n1)O[C@@H](CCOCc1ccc(C(F)(F)F)cc1)CC2 473086988 JICFFOYMHQPZPD-CYBMUJFWSA-N 371.315 3.568 5 1 FHBF CC(C)N1C(S)=N[C@@H](c2cccc([N+](=O)[O-])c2)c2cc3c(cc21)OCO3 39290311 ZGYZNPKPZMQFAO-KRWDZBQOSA-N 371.418 3.927 5 1 FHBF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 84462241 QFNZZSSQTCYLRO-XMGGNUPJSA-N 374.393 3.796 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c1 587270925 XFFXXDBJCAMIHC-UHFFFAOYSA-N 360.329 3.929 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc(-c3ncccc3Cl)[nH]c12 587065219 MJFKEXBMIRQZJX-UHFFFAOYSA-N 353.563 3.949 5 1 FHBF O=c1c2ccccc2oc2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c12 169259685 SERRDWJBTVNAIH-OLZOCXBDSA-N 372.467 3.935 5 1 FHBF CC(=O)Oc1cc2oc3c4c(C)cccc4oc(=O)c3c2cc1OC(C)=O 14611524 YUIZSECWBFMDCQ-UHFFFAOYSA-N 366.325 3.851 5 1 FHBF biogenic O=[N+]([O-])c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1[N+](=O)[O-] 587949766 AUAKOHQLQCBNIO-UHFFFAOYSA-N 372.381 3.865 5 1 FHBF Cc1nn(-c2cccc([N+](=O)[O-])c2)c2nc(C(F)(F)F)[nH]c(=S)c12 103283117 SIXCLHIPPNXUAD-UHFFFAOYSA-N 355.301 3.714 5 1 FHBF O=C(N[C@H](c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccccc1 587224203 QNIPWNMVIIPUBI-GOSISDBHSA-N 372.384 3.991 5 1 FHBF CCCCOc1cc([S@@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 169322609 SCVHEHBIWQGPBP-AREMUKBSSA-N 374.414 3.561 5 1 FHBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(CCO)cc2[nH]1 587110276 YHCYIVCNYMUKRJ-UHFFFAOYSA-N 365.311 3.616 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)c([N+](=O)[O-])c1 587264903 QACYYHVXMZXHNH-UHFFFAOYSA-N 350.693 3.763 5 1 FHBF Cc1c(Br)cnc2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc12 587270959 YBHTVRVRYLEXKA-UHFFFAOYSA-N 361.199 3.722 5 1 FHBF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587647357 WWWRYMJJLDQPGN-UHFFFAOYSA-N 361.398 3.655 5 1 FHBF CNCCc1cc(OC)c(OC)c2c1ccc1c(OC)c(OC)ccc12 14826906 LOOVNAROGQVITO-UHFFFAOYSA-N 355.434 3.789 5 1 FHBF biogenic O=[N+]([O-])c1cc(Cl)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1F 587139011 BYYGMBXFUPQYKZ-UHFFFAOYSA-N 361.642 3.691 5 1 FHBF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587241400 AIGZEVICIWSYSU-UHFFFAOYSA-N 371.353 3.586 5 1 FHBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587264591 GORRRSHEKMASKH-JTQLQIEISA-N 367.192 3.726 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(CCc1ccccc1[N+](=O)[O-])[C@@H](C2)C3=O 587431825 HHAXRWMJIUXROR-YWZLYKJASA-N 353.374 3.742 5 1 FHBF COc1cc2c(=O)n(C)c3c4ccccc4nc(Cl)c3c2cc1OC 66262665 ZQTXCKRVZFAKFY-UHFFFAOYSA-N 354.793 3.911 5 1 FHBF CCCC/C=C/COC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719470 QNRANBVANXKCIX-YMPXZSTISA-N 373.409 3.726 5 1 FHBF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C2)C3=O 587421602 VAFPJAJGRMDLEU-SCLBCKFNSA-N 359.765 3.920 5 1 FHBF O=[N+]([O-])c1cccnc1NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587268721 KCGMMECVUNXQJU-UHFFFAOYSA-N 355.251 3.636 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c2cc1[N+](=O)[O-] 587151224 GXEGSMJKEHXZEU-BDAKNGLRSA-N 360.276 3.929 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586916349 LPNSJDAYLAOHRW-CWTRNNRKSA-N 369.352 3.827 5 1 FHBF CCN(CC)CCN(C)c1ccc(CO)c2sc3ccccc3c(=O)c12 100985218 FAGKGRRRISFNTH-UHFFFAOYSA-N 370.518 3.685 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(OC)c1[N+](=O)[O-])CC2=O 587468778 DKUXRKADVBVKJO-INIZCTEOSA-N 373.361 3.674 5 1 FHBF Cc1cnc(-c2cnc(NCC3CC3)nc2-c2ccc([N+](=O)[O-])cc2)o1 82174337 FNWBDVVOHHTBHL-UHFFFAOYSA-N 351.366 3.837 5 1 FHBF CC(C)(O)CCc1c(O)cc(O)c2c(=O)c3c(oc4cc(O)ccc43)oc12 85999590 SIRKIPKBNFQMAX-UHFFFAOYSA-N 370.357 3.513 5 1 FHBF biogenic O=C(NC(=O)c1ccccc1[N+](=O)[O-])NC1c2ccccc2-c2ccccc21 42988706 CDHBDKUYNQBODX-UHFFFAOYSA-N 373.368 3.804 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(O)cc2[nH]1 587263372 MCMUYACIJORAEN-JTQLQIEISA-N 371.349 3.528 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(Br)cc2[nH]1 587267482 KWZGLFCOEPVUGC-UHFFFAOYSA-N 364.203 3.602 5 1 FHBF CCN(C)CCOC(=O)[C@@H](C)c1ccc2c(=O)c3ccccc3ccc2c1 39220567 NVIUSKRALLFOGH-INIZCTEOSA-N 363.457 3.952 5 1 FHBF Cc1nn(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1[N+](=O)[O-] 587512494 ONVBFVMGXZYCEY-HXUWFJFHSA-N 369.421 3.711 5 1 FHBF O=c1c2ccccc2oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12 1857632050 ZPSVOQNYYDWQIO-UHFFFAOYSA-N 373.361 3.799 5 1 FHBF C[C@@]1(c2cc(N)ccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587512593 ZFUXVRRZNRWUEJ-FQEVSTJZSA-N 352.390 3.936 5 1 FHBF COc1ccc2c(c1OC)[C@H](c1ccc([N+](=O)[O-])cc1C)N(C)[C@H](C)C2 962632831 PDIMJPIMQPGZBK-YJYMSZOUSA-N 356.422 3.886 5 1 FHBF O=[N+]([O-])c1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340302 USWACCOSSLXYJD-UHFFFAOYSA-N 353.363 3.609 5 1 FHBF COc1cc2c3c(c1)O[C@H](c1ccc4cccc([N+](=O)[O-])c4n1)[C@@H](C2)C3=O 587431024 LOAXNAHYEBKPAS-RBZFPXEDSA-N 362.341 3.640 5 1 FHBF Cc1cc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2cc1[N+](=O)[O-] 587116628 JRIUIKFYTNNKGN-UHFFFAOYSA-N 359.695 3.852 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2=O 587468719 CTYLIUKKTICZHK-QGZVFWFLSA-N 372.333 3.868 5 1 FHBF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc([N+](=O)[O-])o1 587575180 DAXFUUNCETYIDD-MAUKXSAKSA-N 353.286 3.596 5 1 FHBF Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccccc1)c1cccc(F)c1 28466607 MQCGFBUSTYGMRB-IBGZPJMESA-N 354.385 3.618 5 1 FHBF COc1cccc([C@@H](C)Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587930405 HVRMCPXCDDHMIH-JTQLQIEISA-N 356.338 3.734 5 1 FHBF COCCCNc1nnc(NCCCOC)c2cc3ccccc3cc12 5997824 DLAPFONDQGVHAL-UHFFFAOYSA-N 354.454 3.680 5 1 FHBF COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3c(c21)C(=O)NC3=O 13519384 RPSCADUVKLRNEB-UHFFFAOYSA-N 355.353 3.848 5 1 FHBF CC[C@]1(Cc2nc3cncc([N+](=O)[O-])c3[nH]2)CC(=O)c2ccccc2C1 587961213 QOBZVVZQDNAHOZ-LJQANCHMSA-N 350.378 3.634 5 1 FHBF O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645713 IMSJMOAWCHXTQA-UHFFFAOYSA-N 353.309 3.536 5 1 FHBF Nc1ncc(-c2ccc(NCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cn1 28389614 TZCNEEIECRXMQK-UHFFFAOYSA-N 355.785 3.900 5 1 FHBF C[C@@]1(COc2ccc(Oc3ccccc3)cc2)Cn2cc([N+](=O)[O-])nc2O1 653730355 XWUXQUAUOXSMQO-IBGZPJMESA-N 367.361 3.814 5 1 FHBF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587108586 DCSQIORBSNBGEU-UHFFFAOYSA-N 351.240 3.855 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](COC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472959 OWFDUUMRKRWCCU-FQEVSTJZSA-N 371.389 3.760 5 1 FHBF CNC(=O)Oc1cccc(OCCCCOc2cccc([N+](=O)[O-])c2)c1 103205229 MPGJVJWTKLDDFO-UHFFFAOYSA-N 360.366 3.551 5 1 FHBF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)(C)C 587206178 VOCJBFNPKGJMTQ-AWEZNQCLSA-N 362.430 3.953 5 1 FHBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2cccc([N+](=O)[O-])c12 587647781 POLSMGRKZZKKDE-UHFFFAOYSA-N 370.321 3.554 5 1 FHBF CCCNC(=O)[C@@H](NC(=O)c1c2ccccc2nc2ccccc12)C(C)C 1857756070 DBWONUVPDAIFJG-FQEVSTJZSA-N 363.461 3.669 5 1 FHBF CC(C)(C)OC(=O)NCCCn1c(=S)[nH]c2cc([N+](=O)[O-])ccc21 72142323 VZHDURKOGULJQI-UHFFFAOYSA-N 352.416 3.522 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587268104 LERDGLJNGUQTQA-UHFFFAOYSA-N 371.294 3.997 5 1 FHBF O=[N+]([O-])c1cncc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c12 587135377 YQPAYYCNLOWETF-OWOJBTEDSA-N 356.210 3.732 5 1 FHBF COc1cc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1[N+](=O)[O-] 587263100 LODLKISQUUFQMD-UHFFFAOYSA-N 369.164 3.761 5 1 FHBF CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccncc1 14970308 QUJVGGWCNKXSBP-UHFFFAOYSA-N 357.413 3.741 5 1 FHBF COc1cccc2cc3c(nc12)[C@H](c1ccc([N+](=O)[O-])cc1F)NCC3 963045510 GMGFJQSLCAUXEN-IBGZPJMESA-N 353.353 3.526 5 1 FHBF Nc1nc2oc3ccc(C4=CCC(F)(F)CC4)cc3c(=O)c2cc1C(=O)O 1857772162 BVONOGZFUWUGHS-UHFFFAOYSA-N 372.327 3.824 5 1 FHBF Cc1cnc(-c2cnc(N3CCCC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163580 XBTIUNHWKCPAKH-UHFFFAOYSA-N 351.366 3.615 5 1 FHBF CC(C)(C)OC(=O)N[C@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1CCCC1 587224239 GRBLNWJFNALUJA-ZDUSSCGKSA-N 361.402 3.622 5 1 FHBF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1[N+](=O)[O-] 587863068 PJSIDKRGPBLHPC-UHFFFAOYSA-N 364.283 3.870 5 1 FHBF O=[N+]([O-])c1cccc(-n2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)nn2)c1 587269219 IOHYPTVJYOWEQI-UHFFFAOYSA-N 374.282 3.738 5 1 FHBF CC(C)(CO)[C@@H]1C[C@H](NCc2ccccc2)c2cc([N+](=O)[O-])ccc2N1 13919824 SPVCQOCFNHNQMG-OALUTQOASA-N 355.438 3.628 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC2=O 587468822 BGGAKVRMIJGGSW-MRXNPFEDSA-N 371.345 3.688 5 1 FHBF Nc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1C(=O)O 587250441 OWVWWZJLHSQLPM-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF C[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587276625 NIKLQFONFPTCQC-GFCCVEGCSA-N 361.361 3.508 5 1 FHBF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cn2)N1 587754254 XSZIMTIJWKCSIB-VXJOIVPMSA-N 366.190 3.515 5 1 FHBF Cc1onc(-c2nc3c(C)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079268 INERZNPRBDGLNO-UHFFFAOYSA-N 372.772 3.641 5 1 FHBF COc1ccc(/C=C/Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(OC)c1 587928399 BFEQGBXEXUYXJC-ONEGZZNKSA-N 357.341 3.883 5 1 FHBF O=C(OCCc1ccccn1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086431 FNOGFLSXGDYUET-UHFFFAOYSA-N 355.375 3.513 5 1 FHBF CC1(C)Oc2c(cc3c(=O)cc(C(=O)O)oc3c2[N+](=O)[O-])-c2ccccc21 169316381 YWXPKCVKTWWTAG-UHFFFAOYSA-N 367.313 3.694 5 1 FHBF CC(=O)c1ccc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2c1 587266299 YHRQQZGMKOYBPM-VIFPVBQESA-N 369.337 3.755 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(C)cc1[N+](=O)[O-])CC2=O 587473473 VVFWKDOUIZKGFK-LJQANCHMSA-N 356.378 3.837 5 1 FHBF O=[N+]([O-])c1cc(Cl)cc2c1NC[C@H]1C2=NN[C@@H]1c1ccc(Cl)cc1 1772652256 DZLWPNBSLKOJEP-TZMCWYRMSA-N 363.204 3.992 5 1 FHBF COc1cccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1O 587786254 FQGHZWLHZPEMNR-UHFFFAOYSA-N 364.155 3.615 5 1 FHBF O=C(O)c1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587109875 OZFHRXQOYKYMQP-UHFFFAOYSA-N 365.267 3.779 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1c([N+](=O)[O-])ccc(F)c1F)O2 587382176 PFDVMQFUZBHARG-SFHVURJKSA-N 362.332 3.730 5 1 FHBF Cn1c2c(c3ccccc31)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 13526498 AGLZDATUFHWVOH-UHFFFAOYSA-N 365.433 3.914 5 1 FHBF CC[C@@H]1OCCC[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586914663 XKBGMOCQXBGYTF-SKDRFNHKSA-N 354.204 3.906 5 1 FHBF Cc1ccc(OCCCOc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1 141582697 HYPAULIIXKYYIJ-UHFFFAOYSA-N 371.345 3.563 5 1 FHBF Cn1cc([C@@H]2NCCc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 963390435 JLGHLNQAQKBSRB-LJQANCHMSA-N 368.824 3.884 5 1 FHBF CC1(C)O[C@](C)(c2ccccc2)c2nnc(-c3cccc([N+](=O)[O-])c3)nc21 27549694 VHOYHIAOJGIJAS-HXUWFJFHSA-N 362.389 3.976 5 1 FHBF Nc1nccn1Cc1c2ccccc2c(Cn2ccnc2N)c2ccccc12 28761526 MXMYNOPYRSOBBI-UHFFFAOYSA-N 368.444 3.647 5 1 FHBF COc1c(I)cc(C(C)(C)C)cc1C[N+](C)(C)C 40514415 IHRMSBKVYDUREJ-UHFFFAOYSA-N 362.275 3.804 5 1 FHBF COc1cc2c(cc1[N+](=O)[O-])[C@@]1(CCC2)CC(=O)c2cc(C)cc(N)c2O1 587388558 DEMURSLDRMUDBK-HXUWFJFHSA-N 368.389 3.691 5 1 FHBF Nc1nc2oc3ccc(/C=C/C4CCCC4)cc3c(=O)c2cc1C(=O)O 1857765605 STIRBBHCQFHOEU-AATRIKPKSA-N 350.374 3.825 5 1 FHBF O=[N+]([O-])c1cnc(-n2ccnc2-c2ccccc2)nc1NC1CCCC1 64531997 GJYXTKNRJUQBOU-UHFFFAOYSA-N 350.382 3.592 5 1 FHBF CC1=NN(C(=O)n2c(=O)c3ccccc3c3c4cc(C)ccc4[nH]c32)C(=O)C1 98084166 USANINOUTITDML-UHFFFAOYSA-N 372.384 3.521 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587472737 LYOOOMQIZSOKEM-MRXNPFEDSA-N 373.361 3.674 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)c([N+](=O)[O-])c1)O2 587389473 KYYOHDCITICOAA-IBGZPJMESA-N 367.405 3.792 5 1 FHBF CC(C)(C)OC(=O)N[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)C1CCCC1 587224238 GRBLNWJFNALUJA-CYBMUJFWSA-N 361.402 3.622 5 1 FHBF Cc1nn(Cc2ccccc2-c2nc3cccc(O)c3[nH]2)c(C)c1[N+](=O)[O-] 587267351 JFTWYXNNCXLGTN-UHFFFAOYSA-N 363.377 3.705 5 1 FHBF CCCc1c(O)ccc2c1O[C@]1(CC2=O)Cc2ccc([N+](=O)[O-])cc2C1 587470247 JNZJPGXHQTYOTI-HXUWFJFHSA-N 353.374 3.756 5 1 FHBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cccc([N+](=O)[O-])c12 587647697 MUJDZSYMLIJWCW-UHFFFAOYSA-N 355.306 3.828 5 1 FHBF COc1cc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC 103193207 DYBCGDZTUVOLPF-PLNGDYQASA-N 360.322 3.699 5 1 FHBF Cc1cc(Br)ccc1OCc1nc2cc([N+](=O)[O-])cnc2[nH]1 586981243 MSPXXTQZMXVXEV-UHFFFAOYSA-N 363.171 3.516 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1F 587076006 NTBJGKSCVUKRDP-UHFFFAOYSA-N 358.720 3.511 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1[N+](=O)[O-] 587084132 GZPPGJOHDMCHPY-UHFFFAOYSA-N 354.109 3.748 5 1 FHBF Cc1cc2[nH]c([C@]3(C)C=C(c4ccccc4F)NO3)nc2cc1[N+](=O)[O-] 587154028 BQLYPPQRHTXPCI-SFHVURJKSA-N 354.341 3.710 5 1 FHBF COCCNc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1[N+](=O)[O-] 587265245 NCFPJBWCTDXJGY-UHFFFAOYSA-N 369.425 3.889 5 1 FHBF O=[N+]([O-])c1ccc2c(O)nc(=Nc3cc(Cl)cc(Cl)c3)[nH]c2c1 2382225105 YFGZEOYYPMYCKJ-UHFFFAOYSA-N 351.149 3.716 5 1 FHBF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1O 587508945 GWCOYJVIJIXADP-GOSISDBHSA-N 369.373 3.894 5 1 FHBF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c(C)n1 587645346 RGBKXDDTJSBEDF-UHFFFAOYSA-N 366.299 3.851 5 1 FHBF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc([N+](=O)[O-])cc1 82157409 KYKRTLHOEFERDJ-HXUWFJFHSA-N 361.357 3.987 5 1 FHBF O=[N+]([O-])c1cncc2nc(-c3cc(Br)c(F)cc3F)[nH]c12 587135786 DWQCCOKGPKUGKC-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF C[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277264 RSCPBJWUJCKJDC-LURJTMIESA-N 359.695 3.949 5 1 FHBF Cc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1[N+](=O)[O-] 587118853 QEIVEOGHWIEZKP-UHFFFAOYSA-N 365.315 3.921 5 1 FHBF C[C@@H]1Cc2onc(-c3ccccc3[N+](=O)[O-])c2C(=O)N1C(=O)OC(C)(C)C 209982918 ULRUFFJGOHPWNR-SNVBAGLBSA-N 373.365 3.572 5 3 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@@+](C)([O-])[C@H]12 253634268 PYNCZOMCQLYABK-GREBRCKQSA-N 353.422 3.679 5 1 FHBF C[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)n1cc([N+](=O)[O-])cn1 587275304 BNWLJEWAAFFBFI-ZETCQYMHSA-N 357.317 3.889 5 1 FHBF CCc1cc2c(s1)Nc1ccc([N+](=O)[O-])cc1N=C2N1CCN(C)CC1 27991285 LMGHYRVAUPSSEP-UHFFFAOYSA-N 371.466 3.601 5 1 FHBF C[n+]1c2ccccc2c(C(=O)O)c2[nH]c3ccc(Br)cc3c21 40876869 ACEUXOHYQNBYSH-UHFFFAOYSA-O 356.199 3.760 5 1 FHBF COc1cc(-c2c(C)[nH]c3cc([N+](=O)[O-])ccc23)c([N+](=O)[O-])cc1OC 587647806 QESWUKJBOBVKOB-UHFFFAOYSA-N 357.322 3.977 5 1 FHBF CC[C@@]1(Cc2nc3cc([N+](=O)[O-])cnc3[nH]2)CC(=O)c2ccccc2C1 587960829 NTNWTPLQXCEVIY-IBGZPJMESA-N 350.378 3.634 5 1 FHBF CCCCCCNc1cc(NCc2cccnc2)c(C(N)=O)cc1[N+](=O)[O-] 95921222 VYDLJENKOXKXDK-UHFFFAOYSA-N 371.441 3.693 5 1 FHBF in-vitro COc1cc(OC)c2c(c1)oc(=O)c1c3cc(OC)c(OC)cc3oc21 1597388 TVSXWGONJFTDHC-UHFFFAOYSA-N 356.330 3.727 5 1 FHBF biogenic O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cccc(-c3ccc(F)cc3)c1)C2 45286885 SBSVPJUCZOBWBA-KRWDZBQOSA-N 369.352 3.575 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2ccc(C(F)(F)F)cc2[nH]1 587267707 DLMUKCIRNWJTCY-UHFFFAOYSA-N 353.304 3.858 5 1 FHBF CNC(=O)Oc1cccc(OCCCCOc2ccccc2[N+](=O)[O-])c1 103205232 JESWYQLJPQPZFZ-UHFFFAOYSA-N 360.366 3.551 5 1 FHBF CCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1[N+](=O)[O-] 587431258 DBZGFUHDLJAETI-JLTOFOAXSA-N 369.373 3.665 5 1 FHBF CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C[C@@H](C)[N+](=O)[O-] 587622568 CSKLIMSCMSIHOP-SSDOTTSWSA-N 351.204 3.577 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587268444 YJTBSLWCBTVJMX-UHFFFAOYSA-N 355.185 3.541 5 1 FHBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])ccc(-c3ccccc3F)c12 299871743 ZDFSLOSSDROWIJ-UHFFFAOYSA-N 372.308 3.598 5 1 FHBF C[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157067 RWPPGGTXJJFSJI-KRWDZBQOSA-N 358.304 3.540 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cccc(Br)c2[nH]1 587159810 ZXYJODASYONAPE-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF COc1c(O)c(C(C)=O)c(OCc2cccc([N+](=O)[O-])c2)c2ccoc12 13682289 DCDPGGLYIGLVAW-UHFFFAOYSA-N 357.318 3.837 5 1 FHBF COC(=O)c1cc(OC)c(OC)c2c1c([N+](=O)[O-])cc1c(OC)cccc12 14815450 NPCMWYJIIQNJFR-UHFFFAOYSA-N 371.345 3.714 5 1 FHBF biogenic O=[N+]([O-])c1cc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c2cc1[N+](=O)[O-] 587151261 GXEGSMJKEHXZEU-DTWKUNHWSA-N 360.276 3.929 5 1 FHBF COc1ccc(CSc2nnc(-c3cc(N)cc([N+](=O)[O-])c3)o2)cc1 1772614712 JIIPLILYVBCRLA-UHFFFAOYSA-N 358.379 3.528 5 1 FHBF COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)[N+]1(C)[O-] 13372497 ZCBVLLQFNQAHBQ-IAGOWNOFSA-N 371.433 3.560 5 1 FHBF biogenic CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cnccc2[nH]1 587055316 OMHQOPRSEPWAGO-HNNXBMFYSA-N 373.800 3.647 5 1 FHBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCC[C@H]1[C@H]3O 6018879 CMFIDYCYVJWPPL-PGRDOPGGSA-N 365.429 3.727 5 1 FHBF biogenic,in-vivo Cc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1[N+](=O)[O-] 586967309 UAYAYOYKUITSPF-UHFFFAOYSA-N 368.378 3.517 5 1 FHBF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](C[N+](=O)[O-])C2)[C@@H]1c1ccc(F)cc1 587341559 ZBKZYGVBRMAAEA-UOXRKKOCSA-N 371.364 3.706 5 1 FHBF COc1ccc(-c2n[nH]c3ncc(-c4c(N)cccc4[N+](=O)[O-])cc23)cc1 169329630 FMFIODFALRXASM-UHFFFAOYSA-N 361.361 3.791 5 1 FHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)o1 587264537 HTPPWUNKAAXLAW-UHFFFAOYSA-N 371.403 3.766 5 1 FHBF Cc1c2cn(C)ccc2c(C(=O)NCCCCN)c2nc3ccccc3c12 1772621228 RSRLOPMEQGPMED-UHFFFAOYSA-N 360.461 3.657 5 1 FHBF O=C(O)[C@H]1Cc2c[nH]c3ccc4oc5nc6ccc(O)cc6c-5c(c4c23)N1 2356546676 PUGZXSRZVWFNJJ-CYBMUJFWSA-N 359.341 3.694 5 1 FHBF O=[N+]([O-])c1c(Br)cccc1-n1c(O)cc(-c2ccco2)c1O 587937665 VBQHWUZBQNFSPP-UHFFFAOYSA-N 365.139 3.819 5 1 FHBF Cc1nc(COc2cccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2)cs1 587020051 DVURCNXBLGKERM-UHFFFAOYSA-N 367.390 3.877 5 1 FHBF COc1cc2c3c(c1)O[C@@](C)(c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C2)C3=O 587419416 LOFIXNAFWNIPLZ-UGSOOPFHSA-N 359.765 3.920 5 1 FHBF N[C@@H](CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 13587475 JSSHYLDCNVIQTK-IBGZPJMESA-N 363.417 3.996 5 1 FHBF O=c1c2ccccc2oc2cc(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)c12 169259606 SERRDWJBTVNAIH-CHWSQXEVSA-N 372.467 3.935 5 1 FHBF Nc1nc2c([nH]1)c(C(=O)c1c[nH]c3ccccc13)nc1[nH]c3ccccc3c12 15264121 WNDIVVRKTNRQAS-UHFFFAOYSA-N 366.384 3.887 5 1 FHBF biogenic N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587080888 UYVZGQUZUGILTK-ZDUSSCGKSA-N 355.785 3.848 5 1 FHBF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645662 GRUKLRDQLKCNJK-UHFFFAOYSA-N 356.309 3.628 5 1 FHBF COCCNc1ccc(-c2nc3cc(Cl)c(F)cc3[nH]2)cc1[N+](=O)[O-] 587261422 BHGLXSLGVPCOGZ-UHFFFAOYSA-N 364.764 3.989 5 1 FHBF O=C(O)CCC(=O)Nc1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12 587646266 ZDFJUQNAWQWWOQ-UHFFFAOYSA-N 371.324 3.686 5 1 FHBF O=[N+]([O-])c1nccn1CCCNc1c2c(nc3ccccc13)CCSC2 29321057 GBWRELFHVYKGPJ-UHFFFAOYSA-N 369.450 3.631 5 1 FHBF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c1 587647487 ZISRVRDKLAGIOK-UHFFFAOYSA-N 355.350 3.654 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c([N+](=O)[O-])cccc14)[C@@H](C2)C3=O 587429721 CNOGFTZHUDRPSF-HXPMCKFVSA-N 350.330 3.573 5 1 FHBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587511400 PQVJQSQUEJKSLL-KRWDZBQOSA-N 369.373 3.894 5 1 FHBF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccccc2[N+](=O)[O-])=NO1 12726018 QKXYRRZHXYTYGA-IBGZPJMESA-N 364.361 3.608 5 3 FHBF C[C@@H]1CN(CCCn2c3ccccc3c3cc([N+](=O)[O-])ccc32)C[C@@H](C)N1 26578112 MLOKWTVQPPKSAR-HZPDHXFCSA-N 366.465 3.775 5 1 FHBF N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1C2 136588618 UPPFCAGNQPAMOX-KBPBESRZSA-N 371.462 3.725 5 1 FHBF Cc1c(-c2nc3ccc(CO)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980453 ZTYHBPGKADYGNI-UHFFFAOYSA-N 362.183 3.701 5 1 FHBF CCCCCN(CCO)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 45339207 OODJPHUOYXLANT-UHFFFAOYSA-N 365.308 3.511 5 1 FHBF C[C@@H]1CC(=O)[C@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587264420 RNEQWBJYYFUTFQ-HLTSFMKQSA-N 356.209 3.530 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N)ccc1[N+](=O)[O-])CC2=O 587473080 PRGZPRUOSFKWRC-IBGZPJMESA-N 356.378 3.716 5 1 FHBF O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1CCO 6582854 MYJDPVWCWAHPTP-UHFFFAOYSA-N 369.380 3.544 5 1 FHBF O=c1ccc2cc(OCc3cc(-c4ccc([N+](=O)[O-])cc4)no3)ccc2o1 299828291 IUNILKMLRZQDJO-UHFFFAOYSA-N 364.313 3.935 5 1 FHBF Cc1cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1[N+](=O)[O-] 587874635 GVVMKHQKYAMCHX-UHFFFAOYSA-N 369.308 3.731 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccc4ncccc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587429996 FGXFFSVTTCYEOO-XOBRGWDASA-N 362.341 3.640 5 1 FHBF Cc1cc2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc2cc1[N+](=O)[O-] 587022526 YDYXFGPUBIUQTG-UHFFFAOYSA-N 351.391 3.983 5 1 FHBF Cc1nn(C)cc1-c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)F 587645474 WLWLTBWHWJTCQB-UHFFFAOYSA-N 352.272 3.530 5 1 FHBF COC(=O)NCCc1cc(OC)c(OC)c2c1ccc1ccc(O)cc12 14687874 BMHMVGRSSCMHNP-UHFFFAOYSA-N 355.390 3.614 5 1 FHBF biogenic CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(C)nccc2[nH]1 587263325 LJAKHENEWGFYRZ-LLVKDONJSA-N 370.365 3.526 5 1 FHBF Nc1c(F)cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1F 587134846 OTCVACQRRRFFRY-UHFFFAOYSA-N 369.125 3.761 5 1 FHBF Cc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc(S(C)(=O)=O)cc12 587650981 XUGLRQSBZVKOLK-UHFFFAOYSA-N 369.402 3.936 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1F 587149547 UXIIKYCCUDCEEC-UHFFFAOYSA-N 359.210 3.746 5 1 FHBF COc1cc2c(cc1OC)[C@@H]1Cc3cc(OC)c(OC)cc3[C@H](C2)[N+]1(C)[O-] 13372496 ZCBVLLQFNQAHBQ-IRXDYDNUSA-N 371.433 3.560 5 1 FHBF Cc1cnc(-c2cnc(NCC3CC3)nc2-c2cccc([N+](=O)[O-])c2)o1 82163550 IRYPANQKMWZENZ-UHFFFAOYSA-N 351.366 3.837 5 1 FHBF CSc1ccc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2c1 587119037 WKDHFXCAXJBIML-UHFFFAOYSA-N 371.344 3.765 5 1 FHBF Cc1cc2[nH]c(-c3ncc(Br)cc3F)nc2cc1[N+](=O)[O-] 587157223 JGGVBVDNDVBQRM-UHFFFAOYSA-N 351.135 3.743 5 1 FHBF O=C(O)c1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1F 587269920 UECKBWORROVSHN-UHFFFAOYSA-N 370.340 3.576 5 1 FHBF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(F)ccc([N+](=O)[O-])c1F 963638472 UATUSONTYCGGDY-LZVRBXCZSA-N 364.348 3.514 5 1 FHBF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587788009 YUYRJLFXPWDZDV-NEPJUHHUSA-N 355.325 3.554 5 1 FHBF Cc1nc(-c2ccccc2)sc1Cc1nc2cc([N+](=O)[O-])cnc2[nH]1 587011075 GAVINPODIDDNFX-UHFFFAOYSA-N 351.391 3.889 5 1 FHBF CCOC(=O)c1c(C)nn(-c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 1857773060 VQCIGTUBRZGSKD-UHFFFAOYSA-N 351.362 3.933 5 1 FHBF C[n+]1c2ccccc2cc2[nH]c3cc([N+](=O)[O-])c(Br)cc3c21 28826853 GUVANVKQJYIJDY-UHFFFAOYSA-O 357.187 3.970 5 1 FHBF COc1cc2c(=O)c3c(O)c(CC=C(C)C)c(OC)cc3oc2cc1O 14763068 VEQACXWBQPLDPZ-UHFFFAOYSA-N 356.374 3.883 5 1 FHBF biogenic,in-vitro O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc([N+](=O)[O-])cc2)n1 66066533 XKJDBPNYZSFCIT-UHFFFAOYSA-N 361.313 3.554 5 1 FHBF C[C@@](O)(CSc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 28022501 ZAIDIBQWPGBCIZ-MRXNPFEDSA-N 366.826 3.730 5 1 FHBF CCCc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])s3)O2)cc1 73142335 MFKUTMHSVQIMSM-QGZVFWFLSA-N 359.407 3.848 5 1 FHBF Cc1nn(C)cc1-c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)Cl 587644734 BKTSHRZWBMZONJ-UHFFFAOYSA-N 368.727 3.799 5 1 FHBF C[C@@H]1[C@H]2C=C[C@H]1[C@H](c1c3ccc(=O)cc-3oc3cc(O)ccc13)[C@H]2C(=O)O 263606910 RKDKSNZPPNIPBB-HUGLCZHHSA-N 362.381 3.840 5 1 FHBF O=C(O)c1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccccc3)n2)cc1 29042756 WMSHTIRWIOFMAY-UHFFFAOYSA-N 351.322 3.570 5 1 FHBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587262652 VOULBJZXUPKTSE-UHFFFAOYSA-N 366.299 3.815 5 1 FHBF O=Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c([N+](=O)[O-])c1 587511589 QOGMLZOTKCXIHG-GOSISDBHSA-N 367.357 3.698 5 1 FHBF COc1cc(/C(=C/c2cccc([N+](=O)[O-])c2)[C@H](C)O)cc(OC)c1OC 71296500 XJURESJEPWDBSG-RGZVIEDOSA-N 359.378 3.542 5 1 FHBF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1 587123419 ICWWHHUNDQQRML-CPCISQLKSA-N 366.303 3.642 5 1 FHBF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2N1 587124760 OFTCXVOVBMAFBA-JMCQJSRRSA-N 366.303 3.642 5 1 FHBF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1C(=O)O 13531819 UZTGAEZWQMNUBC-UHFFFAOYSA-N 369.255 3.956 5 1 FHBF COc1cc(OCc2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] 587263200 ONGSZLPOSQDUDF-UHFFFAOYSA-N 369.711 3.990 5 1 FHBF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 5488220 RECNITXDQPJVBJ-MRXNPFEDSA-N 357.797 3.536 5 3 FHBF CC(=O)NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC(C)CC1 587234398 MFEKNKTZLCUUGN-UHFFFAOYSA-N 350.806 3.666 5 1 FHBF Cc1cc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2cc1Br 587267866 HISNAEZPIUGZME-UHFFFAOYSA-N 362.187 3.549 5 1 FHBF COc1ccc(CCCc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC 587925021 IUZMGFPMJZMITG-UHFFFAOYSA-N 355.394 3.972 5 1 FHBF CN(C)CCN1C(=O)c2cccc3c(Cl)c4ccccc4c(c23)C1=O 3805652 XGYXHXPLVANWMB-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF CN(C)CCNc1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 59047013 LYRLCJQODZGYDV-UHFFFAOYSA-N 356.429 3.565 5 1 FHBF in-vitro CCCOC(=O)c1ccc(OCc2nc3cc([N+](=O)[O-])ccc3n2C)cc1 103187972 JHJWRMFZDZPNDQ-UHFFFAOYSA-N 369.377 3.627 5 1 FHBF O=[N+]([O-])c1cc(CSc2nnc(-c3ccccc3)o2)cc([N+](=O)[O-])c1 221007557 KFWVSWWVXUVWJL-UHFFFAOYSA-N 358.335 3.845 5 1 FHBF O=[N+]([O-])c1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1[N+](=O)[O-] 587138368 JOSLMSPGPNIWRY-UHFFFAOYSA-N 366.255 3.582 5 1 FHBF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCc2ccc([N+](=O)[O-])cc21 963608368 KTQPRLZAUGRWOQ-ZSEKCTLFSA-N 368.433 3.726 5 1 FHBF COc1oc([C@H]2C/C(=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C 34785262 XENAWSJFNWCPOG-WPMUKRGUSA-N 357.362 3.718 5 1 FHBF Cc1cc(N(C)Cc2nc3c(C)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587137202 SUFSAVSQETYFOG-UHFFFAOYSA-N 363.780 3.912 5 1 FHBF Cc1c(Cl)ccc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587093136 WCHJLTCTPFLBLM-UHFFFAOYSA-N 359.695 3.859 5 1 FHBF COc1ccc(-c2nnc(SCc3ccccc3[N+](=O)[O-])o2)c(O)c1 84633551 DITUFQSLXYZIAA-UHFFFAOYSA-N 359.363 3.651 5 1 FHBF O=c1ccc2cc(OCc3cc(-c4cccc([N+](=O)[O-])c4)no3)ccc2o1 299830726 PHNGJHTWEAIXHH-UHFFFAOYSA-N 364.313 3.935 5 1 FHBF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])cc1O 587508946 GWCOYJVIJIXADP-SFHVURJKSA-N 369.373 3.894 5 1 FHBF Cn1cc(-c2ncc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)s2)cn1 587021313 HTJJZCGKYAJJRM-UHFFFAOYSA-N 360.786 3.649 5 1 FHBF CN1CCN(c2c(Cl)cc(Cl)c3[nH]c4ccccc4c(=O)c23)CC1 5543304 VLWHEULXBDRQND-UHFFFAOYSA-N 362.260 3.740 5 1 FHBF O=c1c2ccccc2[nH]c2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c12 49785910 RIOKGIAUZLEJON-QWHCGFSZSA-N 371.483 3.670 5 1 FHBF O=[N+]([O-])c1nccn1CCCCNc1nc2ccc(Cl)cc2s1 96938754 YIMRSKJXEYLJCZ-UHFFFAOYSA-N 351.819 3.947 5 1 FHBF COC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1cc(F)c(F)cc1F 587646281 NACWZSVMDAIYNP-UHFFFAOYSA-N 364.279 3.876 5 1 FHBF O=[N+]([O-])c1cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2cc1Cl 587124350 NHLPWVCKHRZTKU-UHFFFAOYSA-N 354.700 3.830 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1cc4c([N+](=O)[O-])cccc4cn1)[C@@H](C2)C3=O 587431721 QPECSDKUDXRCLW-VBKZILBWSA-N 362.341 3.640 5 1 FHBF O=[N+]([O-])c1cccc([C@@]2(CO)NCCc3cc(-c4ccccc4)ccc32)c1 962669134 RVXFKXKKRRCCKZ-JOCHJYFZSA-N 360.413 3.643 5 1 FHBF C[N+]1(C)CCC[C@@H]1[C@@H]1C[S@@](=O)[C@@](c2ccccc2)(C2CCCCC2)O1 40429302 VPWKHNIBDCHPNN-VWEIPLKFSA-N 362.559 3.806 5 1 FHBF COc1ccc2c(c1)[C@H](c1n[nH]c3ccc([N+](=O)[O-])cc13)N(C(C)C)CC2 962091531 OIHMZZFCENOHDE-HXUWFJFHSA-N 366.421 3.836 5 1 FHBF CN1Cc2sc([N+](=O)[O-])cc2[C@@H](c2ccc(Br)cc2)C1 38157569 FRBBJNSSTGRZOS-GFCCVEGCSA-N 353.241 3.996 5 1 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N@+](C)([O-])[C@H]12 261155898 PYNCZOMCQLYABK-LEDOBFOHSA-N 353.422 3.679 5 1 FHBF COc1ccc2c(c1)[nH]c1c3ccc4ccn(C)c4c3c3c(c21)C(=O)NC3=O 594538 IDMVFJGVCOXLGH-UHFFFAOYSA-N 369.380 3.858 5 1 FHBF Cc1cccc2/c(=N/C(=S)NC[C@H]3CCCO3)c3ccccc3[nH]c12 45287976 BDEJUPNVDACVBV-CQSZACIVSA-N 351.475 3.584 5 1 FHBF COc1cccc(CCNc2cc(-c3cccc([N+](=O)[O-])c3)ncn2)c1 82160526 TWXPNGGXNJQQAT-UHFFFAOYSA-N 350.378 3.715 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cccc(Br)c3[nH]2)cc1F 587151637 SFMQHNAAYOINSG-UHFFFAOYSA-N 366.146 3.952 5 1 FHBF O=C(Nc1ccccc1)c1ccc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)cc1 587247120 HJMTVAUCRGKABY-UHFFFAOYSA-N 359.345 3.785 5 1 FHBF CN(C)CCNC(=O)c1cccc2c1nc(-c1ccccn1)c1ccccc12 1613482 FUEJKKCWQACPSM-UHFFFAOYSA-N 370.456 3.741 5 1 FHBF O=[N+]([O-])c1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1[N+](=O)[O-] 587080152 LDVWGFIVPQGWCB-AWEZNQCLSA-N 360.713 3.709 5 1 FHBF Cc1cc2nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c2cc1Br 587267645 OEFYTVLCCQDPEU-SECBINFHSA-N 364.203 3.656 5 1 FHBF Nc1c2c(nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc13)CCCC2 45201610 YLGZOIAXBFBPNU-UHFFFAOYSA-N 362.389 3.856 5 1 FHBF Nc1nc2oc3ccc(C4CCC(F)(F)CC4)cc3c(=O)c2cc1C(=O)O 1857769750 YBTHXDAXRWKGKS-UHFFFAOYSA-N 374.343 3.915 5 1 FHBF COc1cccc2c(=O)oc3c(ccc4[nH]c(=O)cc(C(F)(F)F)c43)c12 29042955 CQEVMEWKXDDUBJ-UHFFFAOYSA-N 361.275 3.815 5 1 FHBF C[N+]1(C)CCC[C@@H]1[C@@H]1C[S@@](=O)[C@](c2ccccc2)(C2CCCCC2)O1 40974440 VPWKHNIBDCHPNN-QDMVCWPOSA-N 362.559 3.806 5 1 FHBF CCOc1ccc2nccc([C@H](O)C[N+]34CCC(CC3)[C@@H](CC)C4)c2c1 169334929 SGBOGAWOTFGXNC-XTVOBEJYSA-N 355.502 3.934 5 1 FHBF CC[N@+]1(C)CC[C@](O)(c2ccc(C)cc2)[C@@H](C(=O)c2ccc(C)cc2)C1 254209898 YSWUASFXPBRSMW-YFNKSVMNSA-N 352.498 3.860 5 1 FHBF O=[N+]([O-])c1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1F 587040954 KQJKFPFHLAYLPS-GDBMZVCRSA-N 358.398 3.557 5 1 FHBF COC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513282 RELAPXVYMZEJQD-OAQYLSRUSA-N 367.401 3.981 5 1 FHBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587268007 VOLMHJMLRZGKNY-SSDOTTSWSA-N 357.267 3.743 5 1 FHBF O=C1O[C@@H](C[N+]23CCC(CC2)CC3)CC1(c1ccccc1)c1ccccc1 6579018 CVUYZNJIONDVBA-WRVMZKTCSA-N 362.493 3.919 5 1 FHBF CN(CCCCOc1ccc([N+](=O)[O-])cc1)CCc1ccc([N+](=O)[O-])cc1 473107350 IPLLWIZMHGMEIQ-UHFFFAOYSA-N 373.409 3.837 5 1 FHBF CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587268439 XYAIBQQROBJVRM-UHFFFAOYSA-N 355.185 3.541 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 587270326 MFHNKDWXXDFIMI-UHFFFAOYSA-N 360.373 3.735 5 1 FHBF O=C1[C@@H]2CCCN2[C@@H](c2ccc(Cl)cc2)N1c1ccc([N+](=O)[O-])cc1 1772578602 YTECCFPLCQOSNJ-DLBZAZTESA-N 357.797 3.758 5 1 FHBF CN(C)CCn1c2ccc(Cl)cc2c2sc3ncccc3c(=O)c21 1857562937 ICIYHBOZNUDDEC-UHFFFAOYSA-N 357.866 3.979 5 1 FHBF CN(C)CCN1C(=O)c2cccc3cc4ccc(Cl)cc4c(c23)C1=O 3805653 CGHVVCXFPQCLJU-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF COC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1cc(F)c(F)cc1F 587646552 UOVGNZXNGGPXKF-UHFFFAOYSA-N 364.279 3.876 5 1 FHBF CC(=O)NCCc1c2c(c3nccc4c5ccccc5[nH]c1c34)OCS2 34652897 GOVYAIZYFGHCQC-UHFFFAOYSA-N 363.442 3.990 5 1 FHBF biogenic COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CN(C)C)cc1OC 587646947 NNFIPDMWDSANEE-UHFFFAOYSA-N 355.394 3.822 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1[N+](=O)[O-])CC2=O 587473469 VQWCDLWQAKQRND-QGZVFWFLSA-N 357.362 3.968 5 1 FHBF Cc1ncsc1CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587027135 PQIJHFLMQMANHB-UHFFFAOYSA-N 367.228 3.784 5 1 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)(O)[C@H]12 13475496 CJVCVNDKLPBCBG-ZTVINCFESA-O 354.430 3.571 5 1 FHBF COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 95581096 YUZNDYLOYSEZMK-KGLIPLIRSA-N 359.378 3.900 5 1 FHBF O=C(COc1cccc([N+](=O)[O-])c1)n1nc2cc1Oc1ccc(F)cc1-2 587875511 PRWQKGAZTYDMFV-UHFFFAOYSA-N 355.281 3.422 5 1 FHBF O=C1COc2cc3[nH]c(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)nc3cc2N1 587051103 XMDJGZPQYVUJPO-RQOWECAXSA-N 370.752 3.626 5 1 FHBF COc1ccc(/C=C(/C[N+](C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1 13780597 MPBMHKOTFPMJAU-PDGQHHTCSA-N 372.485 3.968 5 1 FHBF O=C1CSc2ccc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2N1 587042799 HFKYPWBOGRZLSF-UHFFFAOYSA-N 360.782 3.836 5 1 FHBF CC[N+]12CCc3cc4c(cc3[C@@H]1Cc1cc(OC)c(OC)cc1C2)OCO4 40913839 WMQSUNYBOBDAGR-XNUZUHMRSA-N 368.453 3.623 5 1 FHBF CCC(NC(=O)Nc1ccccc1[N+](=O)[O-])(C(F)(F)F)C(F)(F)F 68573288 SGXITKWTJDDZDY-UHFFFAOYSA-N 359.226 3.990 5 1 FHBF biogenic C[C@@H]1CC(=O)[C@@H](Cc2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587264421 RNEQWBJYYFUTFQ-HRDYMLBCSA-N 356.209 3.530 5 1 FHBF COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1OC 587139392 JDBDDGQFEKWFJH-UHFFFAOYSA-N 351.721 3.948 5 1 FHBF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587646475 BBPIAPSZPMOBHU-LLVKDONJSA-N 363.414 3.851 5 1 FHBF O=C1CCC(=O)N1c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12 587645754 JLBDIRYJPKORML-UHFFFAOYSA-N 353.309 3.536 5 1 FHBF CCOc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc([N+](=O)[O-])cc12 2468578 HVCHTSBUUPXZAX-LIRRHRJNSA-N 369.377 3.763 5 1 FHBF CC(C)(C)c1cccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c12 586920270 GTTDOYIDKZIBJD-UHFFFAOYSA-N 373.434 3.743 5 1 FHBF Nc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C(=O)O 587249241 FPUGSMOOECBAHF-UHFFFAOYSA-N 355.357 3.607 5 1 FHBF Cc1c(CC[C@H](C)[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 587623067 KJYIKTLNSHXZGB-ZETCQYMHSA-N 351.204 3.713 5 1 FHBF CN(C)CCN1C(=O)c2cccc3c2c(cc2c4ccccc4oc32)C1=O 95587736 IGQWFYGGKUUFDD-UHFFFAOYSA-N 358.397 3.897 5 1 FHBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCSCC4)cc3)C2)o1 95560454 CRDZCUVZVGGYLQ-MRXNPFEDSA-N 359.407 3.607 5 1 FHBF O=[N+]([O-])c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587076188 KTOKEEDDIQRTGA-UHFFFAOYSA-N 369.768 3.960 5 1 FHBF COc1cc2c3c(c1)O[C@@](Cc1ccccc1[N+](=O)[O-])(C1CC1)[C@@H](C2)C3=O 587431514 FVOSOQNQXDNUMN-KKSFZXQISA-N 365.385 3.742 5 1 FHBF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(F)(F)F)c2[nH]1 587269416 NCGJCBICKDIWNT-UHFFFAOYSA-N 365.267 3.881 5 1 FHBF C[N@@+]1(CC[N@@+]2(C)CCC[C@H]2c2cccnc2)CCC[C@@H]1c1cccnc1 253917788 MJRIWDXWCJJQJG-CEWHCAETSA-N 352.526 3.740 5 1 FHBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)[C@@H](O)[C@H]1CCCN1C3 33744410 SBVBOLGVLBCFIL-GCJKJVERSA-N 365.429 3.727 5 1 FHBF biogenic CC(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587270447 YCUQCEQTRFRYRY-UHFFFAOYSA-N 350.378 3.941 5 1 FHBF O=c1[nH]c(O)c2c3c[nH]c4cccc(oc5nc6cc(O)ccc6c-5c1-2)c43 2356342760 GFRYOSZUQBGLNQ-UHFFFAOYSA-N 357.325 3.771 5 1 FHBF COc1cc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1[N+](=O)[O-] 587262597 DGBHWJSCRJFKLL-UHFFFAOYSA-N 371.246 3.615 5 1 FHBF CC[C@H]1OCCC[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586914907 ZNXXYOILTYXTBU-LDYMZIIASA-N 354.204 3.906 5 1 FHBF COc1c([N+](=O)[O-])ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587511189 NVTHSRHFDXBXPW-QGZVFWFLSA-N 369.373 3.894 5 1 FHBF O=C(O)[C@@H]1Cc2c[nH]c3ccc4oc5nc6ccc(O)cc6c-5c(c4c23)N1 238773209 PUGZXSRZVWFNJJ-ZDUSSCGKSA-N 359.341 3.694 5 1 FHBF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc([N+](=O)[O-])cc1 587871438 HGYWMEIPFVOPOK-UHFFFAOYSA-N 355.325 3.685 5 1 FHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587268634 ABUQJKYYQLVIPF-UHFFFAOYSA-N 366.377 3.510 5 1 FHBF C[C@]12C[C@@H](NC(=O)N1c1cc(F)ccc1F)c1cc([N+](=O)[O-])ccc1O2 2498676 ABHHIZREMFRESL-DYVFJYSZSA-N 361.304 3.643 5 1 FHBF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586915671 GPLSMKSUQCIRAE-JLTOFOAXSA-N 365.389 3.996 5 1 FHBF O=[N+]([O-])c1cccc(CCc2nc3c(F)cnc(Br)c3[nH]2)c1 587270900 WJOHUOVPMRSXLV-UHFFFAOYSA-N 365.162 3.553 5 1 FHBF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2[N+](=O)[O-])N1 587751504 NCOURNBDFKVCKO-NKZPBKNFSA-N 357.223 3.537 5 1 FHBF CN(C)CCN1C(=O)c2cccc3cc4cccc(Cl)c4c(c23)C1=O 27554895 XSTQJMSFBZAOTN-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF Cc1nc(N[C@@H](C)CCc2ccccc2)nc(-n2ccnc2C)c1[N+](=O)[O-] 28821435 DVCJORUELHLEOF-ZDUSSCGKSA-N 366.425 3.621 5 1 FHBF Cc1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CC[N@@+](C)([O-])[C@@H]2N3C)cc1 261085386 CMPDHSGHPWRRMQ-ZCVJKFOLSA-N 367.449 3.988 5 1 FHBF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 473111596 AMXPMCXBZMLDKO-UHFFFAOYSA-N 362.769 3.720 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1F 587151824 UFVLEYXUBGVBMO-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF O=[N+]([O-])c1ccc([C@@H](O)CCN2CC=C(Cc3ccccc3)CC2)cc1 84758887 CLPXEXYSIPWDMI-NRFANRHFSA-N 352.434 3.893 5 1 FHBF COc1ccc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 95581093 YUZNDYLOYSEZMK-UONOGXRCSA-N 359.378 3.900 5 1 FHBF COc1ccc2c3nc4ccccc4n(CCCN(C)C)c-3cc(=O)c2c1 299860230 IWSUQXHAUIARCF-UHFFFAOYSA-N 361.445 3.615 5 1 FHBF O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587651379 IGEMVHRPTLPISZ-UHFFFAOYSA-N 369.686 3.966 5 1 FHBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cc(Cl)ccc1O 2475353 TUSVNHHAQMVEKR-HNNXBMFYSA-N 350.783 3.732 5 1 FHBF C[C@@H]1CCCC[C@H]1NC(=O)c1cccn2c(=O)c3cc(Cl)ccc3nc12 2957365 HRFVYMUPNLUVES-MLGOLLRUSA-N 369.852 3.810 5 1 FHBF C[C@@H](NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccc([N+](=O)[O-])cc1 13863223 LXLNTNGUPHKWBA-SNVBAGLBSA-N 371.780 3.790 5 1 FHBF CCCCOc1cc([S@](C)=O)cc2c(=O)c3cc(C(=O)O)ccc3oc12 169322611 SCVHEHBIWQGPBP-SANMLTNESA-N 374.414 3.561 5 1 FHBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587269521 PNBCILCPMIVPLV-UHFFFAOYSA-N 371.328 3.786 5 1 FHBF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N)c([N+](=O)[O-])c1)CC2=O 587472984 PNFWCRAUQMHBDD-LJQANCHMSA-N 356.378 3.716 5 1 FHBF O=C(COc1ccc([N+](=O)[O-])cc1)n1nc2cc1Oc1ccc(F)cc1-2 587874972 KNITVMFMGGQTQB-UHFFFAOYSA-N 355.281 3.422 5 1 FHBF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1 587167757 RKYOUAJLXFDTJW-HNNXBMFYSA-N 369.356 3.979 5 1 FHBF O=[N+]([O-])c1ccc(F)cc1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 587158342 CSESXVOWTHDUCN-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Oc3ccc([N+](=O)[O-])cc31)O2 587389119 JDFKLAHACMZPAI-FQEVSTJZSA-N 368.389 3.907 5 1 FHBF Cn1ccc2ccc3c4[nH]c5cc(F)ccc5c4c4c(c3c21)C(=O)NC4=O 13534949 IQFWZWLHQMBGKM-UHFFFAOYSA-N 357.344 3.989 5 1 FHBF Cc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Cl 587092504 QEGSLUHKDKNQLT-UHFFFAOYSA-N 359.695 3.859 5 1 FHBF O=[N+]([O-])c1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c([N+](=O)[O-])c1 587265047 RPCSPOJSUWMWDB-UHFFFAOYSA-N 368.136 3.672 5 1 FHBF CCN(CC)CCC[C@@H](C)Nc1cc(-c2cccc([N+](=O)[O-])c2)ncn1 82161863 RHXGYQHUIDYHKM-OAHLLOKOSA-N 357.458 3.974 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3cc(Br)cnc3F)[nH]c2cc1F 587178283 YZHKGJDZMOOGIY-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF CCc1ccc(-n2cnc3c(sc4nccc([N+](C)(C)[O-])c43)c2=O)cc1 13676183 FJYPFLTUEXXIGF-UHFFFAOYSA-N 366.446 3.623 5 1 FHBF CCCC/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 36185127 BEXZJJQVPWJPOA-LXXRFIIISA-N 373.409 3.512 5 1 FHBF in-vitro CC(C)(C)C(=O)Nc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cn1 587247453 MIUZYPJWTUAEPW-UHFFFAOYSA-N 357.345 3.657 5 1 FHBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2cc([N+](=O)[O-])ccc12 587647793 QBHCDWFVCVRCJE-UHFFFAOYSA-N 369.333 3.752 5 1 FHBF CS(=O)(=O)c1ccc(-c2[nH]c([N+](=O)[O-])cc2-c2ccc(F)cc2)cc1 13743575 VARCOCLGHFQCHU-UHFFFAOYSA-N 360.366 3.800 5 1 FHBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)c1 587268974 FTYYLZFEGPWAED-UHFFFAOYSA-N 362.305 3.503 5 1 FHBF Cc1cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c2cc1Br 587277169 PXRCETHULUTZHG-VIFPVBQESA-N 364.203 3.542 5 1 FHBF O=c1[nH]c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2c2ccccc12 43208479 NKLTUBXOEGMKJS-UHFFFAOYSA-N 361.241 3.994 5 1 FHBF O=Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587509865 KCYLPHWSFYMFFC-IBGZPJMESA-N 351.358 3.993 5 1 FHBF O=C(O)CCc1c(C(=O)O)[nH]c2c([N+](=O)[O-])ccc(Nc3ccccc3)c12 299871033 XPUQQZVQODUTDP-UHFFFAOYSA-N 369.333 3.535 5 1 FHBF COc1cc(-c2c(C)[nH]c3cccc([N+](=O)[O-])c23)c([N+](=O)[O-])cc1OC 587647244 FCKBADMPDXHVJT-UHFFFAOYSA-N 357.322 3.977 5 1 FHBF Cc1cc(C(F)(F)F)nn1CC(=O)c1coc2cc([N+](=O)[O-])ccc12 587280382 VGIMXRUALZBETG-UHFFFAOYSA-N 353.256 3.748 5 1 FHBF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2cccc([N+](=O)[O-])c12 587646422 ADUNGLZMAIUOLW-UHFFFAOYSA-N 353.378 3.519 5 1 FHBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)o1 587265164 PLIYWVSWZXZBOU-UHFFFAOYSA-N 361.317 3.980 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(C)cc1[N+](=O)[O-])CC2=O 587473472 VVFWKDOUIZKGFK-IBGZPJMESA-N 356.378 3.837 5 1 FHBF Cc1ccc2c(ccc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c32)n1 587269812 PEISLGORJUQUNK-UHFFFAOYSA-N 371.360 3.575 5 1 FHBF O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)cc1 1629437 BCPJIAQBIBDMDY-UHFFFAOYSA-N 368.780 3.920 5 1 FHBF C[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)n1cc([N+](=O)[O-])cn1 587277701 ZZYUHWZIOYYMAG-ZCFIWIBFSA-N 370.594 3.693 5 1 FHBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1C(=O)O)CC2=O 587472359 HETJIUHRRWUVNC-QGZVFWFLSA-N 371.345 3.658 5 1 FHBF COc1ccc([N+](=O)[O-])c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514452 YOSQZMPKCWFGMQ-INIZCTEOSA-N 354.362 3.584 5 1 FHBF COc1cccc(C(=O)c2ccc(-c3nc4c([N+](=O)[O-])cncc4[nH]3)cc2)c1 587932898 WULUVYFXIPURSC-UHFFFAOYSA-N 374.356 3.773 5 1 FHBF O=[N+]([O-])c1ccc([S@](=O)(=NSC(F)(F)F)N2CCCCC2)cc1 1857594497 CGJWNEWRNYOCCA-QHCPKHFHSA-N 369.390 3.991 5 1 FHBF COc1ccc(C[C@H](C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC 587926212 KYCKRICWYAELGJ-JTQLQIEISA-N 359.357 3.974 5 1 FHBF O=C(Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1O 169339436 FPIKXHAYKNUQBW-UHFFFAOYSA-N 361.785 3.806 5 1 FHBF Cc1c(Br)ccc([N+](=O)[O-])c1[C@@H]1NCCc2ccc(O)cc21 963340039 FGTXSEVALAMXQC-MRXNPFEDSA-N 363.211 3.606 5 1 FHBF CC1(C)Oc2cc3oc(C(=O)O)cc(=O)c3cc2-c2ccc([N+](=O)[O-])cc21 169316373 XSVLLVMFUJLVOS-UHFFFAOYSA-N 367.313 3.694 5 1 FHBF CCN(CC)Cc1nc2cc([N+](=O)[O-])c3oc4ccccc4c(=O)c3c2[nH]1 29056689 DDALJOUXURQFRV-UHFFFAOYSA-N 366.377 3.573 5 1 FHBF O=c1c2ccccc2oc2cc(OCCCN3CCCCC3)cc(O)c12 40893943 YWXVSQRCWIFWKP-UHFFFAOYSA-N 353.418 3.907 5 1 FHBF C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(Cl)ccnc2[nH]1 587265654 GUYJYBQPNQZOTG-ZETCQYMHSA-N 362.733 3.601 5 1 FHBF Cc1cc(Br)cc2nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c12 587275350 CPMGOHGBLXMIOC-VIFPVBQESA-N 364.203 3.542 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C(C)(C)[C@@H](C[N+](=O)[O-])c1ccccc1)O2 587390529 QYYAUJKVDAXZTN-LPHOPBHVSA-N 368.433 3.998 5 1 FHBF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])cn2)N1 587754248 XSZIMTIJWKCSIB-ANRSDYALSA-N 366.190 3.515 5 1 FHBF CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587778474 NMXAUUUFXSMCNI-UHFFFAOYSA-N 372.337 3.844 5 1 FHBF COc1ccc2cc([C@H](C)C(=O)Nc3ncc([N+](=O)[O-])s3)ccc2c1 1772633274 OIIIPLMNATZVBP-JTQLQIEISA-N 357.391 3.955 5 1 FHBF COc1cc(OC)c2c(=O)cc(/C=C/c3ccc([N+](=O)[O-])cc3)oc2c1 42965947 BIMGXYVXRXCSMK-VMPITWQZSA-N 353.330 3.889 5 1 FHBF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O)c([N+](=O)[O-])c1)CC2=O 587473470 VTEFREMYEQKJIH-IBGZPJMESA-N 357.362 3.839 5 1 FHBF O=[N+]([O-])c1cc(Br)cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c12 586905266 ZZVPFPAWMQZMCF-BXUZGUMPSA-N 374.194 3.803 5 1 FHBF Cc1ncc([N+](=O)[O-])n1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587274517 PQLNSTZTGGFFFB-UHFFFAOYSA-N 359.695 3.697 5 1 FHBF COCCOc1ccc(-c2nc3ccc(SC)cc3[nH]2)cc1[N+](=O)[O-] 587264173 BWQXIFDWHXYVPF-UHFFFAOYSA-N 359.407 3.885 5 1 FHBF CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CC[N+](C)([O-])[C@H]12 14948512 PYNCZOMCQLYABK-ZTVINCFESA-N 353.422 3.679 5 1 FHBF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C)c([N+](=O)[O-])cc3[nH]2)cc1 587787372 VBKHKHMJQITJKF-KBPBESRZSA-N 351.362 3.723 5 1 FHBF O=[N+]([O-])c1ccc2c(c1)OCC[C@]21c2c(F)cccc2C[C@H]2CCCN21 963106070 JNVQYGSOSPBSKF-JLTOFOAXSA-N 354.381 3.781 5 1 FHBF Cc1cccc(NC(=O)Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1C 587238942 IYSOYSWEJUQMEA-UHFFFAOYSA-N 358.785 3.923 5 1 FHBF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587234056 VSDRURLDPGHLHW-GXSJLCMTSA-N 364.377 3.771 5 1 FHBF Cc1cc(Br)c2[nH]c(CNc3ncccc3[N+](=O)[O-])nc2c1 587268329 RQKRSHABQVCBMA-UHFFFAOYSA-N 362.187 3.549 5 1 FHBF Cc1cc(N(C)Cc2nc3c(F)cnc(Cl)c3[nH]2)c([N+](=O)[O-])cc1F 587137415 ZCHFNWDGSKWEQQ-UHFFFAOYSA-N 367.743 3.743 5 1 FHBF O=[N+]([O-])c1cncc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc12 587031935 CKXKIDIHXUGYRX-UHFFFAOYSA-N 351.391 3.874 5 1 FHBF COc1cc2c(cc1OC)[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 28826650 NVGCANQXJBHGKW-CYBMUJFWSA-N 356.378 3.671 5 1 FHBF O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(-c3ccccc3)c(F)cc2c1=O 299825811 KAQUUZUPLLUBHN-UHFFFAOYSA-N 368.320 3.749 5 1 FHBF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587080243 NYQIATUZCULKPO-LBPRGKRZSA-N 373.775 3.987 5 1 FHBF CCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1[N+](=O)[O-] 587391308 UUTKTGQFNQZLNM-LJQANCHMSA-N 356.378 3.765 5 1 FHBF COc1cc2c(ccc3cc(OC)c(OC)c(OC)c32)cc1OC(C)=O 14650736 XDXUJWFHLUZGID-UHFFFAOYSA-N 356.374 3.953 5 1 FHBF biogenic CCCCc1ccc(C2=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])o3)O2)cc1 96913476 IPZSNWYYYAJHGL-SFHVURJKSA-N 357.366 3.770 5 1 FHBF COc1ccc(-c2cccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2)cc1O 587786647 NBGNWLAAOQROCM-UHFFFAOYSA-N 362.345 3.914 5 1 FHBF Cc1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1[N+](=O)[O-] 587041433 NSQGUFMBDFPZDG-DOTOQJQBSA-N 354.435 3.726 5 1 FHBF O=[N+]([O-])c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)nn1CC(F)(F)F 587092035 LGCQDDXBSBYZIP-UHFFFAOYSA-N 365.315 3.776 5 1 FHBF Cn1cc([C@H]2NCCc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 963390434 JLGHLNQAQKBSRB-IBGZPJMESA-N 368.824 3.884 5 1 FHBF CCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c2c1OC 29043481 SFCIXTYEKOUYAT-UHFFFAOYSA-N 351.358 3.503 5 1 FHBF COc1ccc2c(=O)c3c(sc2c1)c1ccccc1n3CCN(C)C 43062617 NGMQLYSSHIKFHE-UHFFFAOYSA-N 352.459 3.940 5 1 FHBF C[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)n1cc(Cl)cn1 587078810 BPSCIXVWOQGOMH-ZCFIWIBFSA-N 370.594 3.693 5 1 FHBF C[C@](C(=O)OC1CC[N+](C)(C)CC1)(c1ccccc1)N1C=CC=CC=C1 73142064 WMBPTNZBPGXZAR-JOCHJYFZSA-N 353.486 3.583 5 1 FHBF COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] 95581095 YUZNDYLOYSEZMK-KBPBESRZSA-N 359.378 3.900 5 1 FHBF CCOC(=O)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(F)cc1 587646039 RABPQFIZVWEXJA-UHFFFAOYSA-N 356.309 3.623 5 1 FHBF CCOC(=O)C[C@]1(c2ccc([N+](=O)[O-])cc2)NCCc2c1sc(C)c2C 963029335 RMIIPVLOEGUJRN-LJQANCHMSA-N 374.462 3.616 5 1 FHBF O=c1oc2cc(OCCCCc3ccccc3)ccc2c(O)c1[N+](=O)[O-] 141532076 VGASZBIVYKBXEA-UHFFFAOYSA-N 355.346 3.809 5 1 FHBF Cn1ncc([N+](=O)[O-])c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104799 JJTQQWNLHIBOBD-UHFFFAOYSA-N 356.341 3.755 5 1 FHBF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 587150281 RNECZKTUOYRYBW-UHFFFAOYSA-N 355.304 3.817 5 1 FHBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587274570 QCJUOYVAXQEORW-ZETCQYMHSA-N 357.267 3.629 5 1 FHBF CCOC1(OCC)[C@H]2c3cc([N+](=O)[O-])ccc3[C@@H]([n+]3ccccc32)C1(C)C 100714740 SKRRLOCBWJERQK-RBUKOAKNSA-N 369.441 3.726 5 1 FHBF CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccc([N+](=O)[O-])cc2)S3)n1 64446997 PJDAVMODXGXTKN-CYBMUJFWSA-N 374.451 3.781 5 1 FHBF COc1cc2c3c(c1OC1CC1)-c1cc([N+](=O)[O-])ccc1C[C@H]3N(C)CC2 1911573509 JICKVGGQCBOONV-QGZVFWFLSA-N 366.417 3.897 5 1 FHBF Nc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc2nc3c(cc12)CCC3 197750883 RBRHUVAUAKNGDH-UHFFFAOYSA-N 354.391 3.528 5 1 FHBF COc1ccc2c(CN3CCCC(=O)C3)cc3cc4c(cc3c2c1)OCO4 43059188 DAJYJDAMZUMHJA-UHFFFAOYSA-N 363.413 3.895 5 1 FHBF Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cccc(C(F)(F)F)c32)c1 96286448 GLKMTIUJPKJOIS-UHFFFAOYSA-N 371.318 3.506 5 1 FHBF Cn1cc([N+](=O)[O-])c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587104798 JIWFBPJMXSHRBL-UHFFFAOYSA-N 356.341 3.755 5 1 FHBF CCCCO/N=c1\[nH]c2oc3ccc(C(C)C)cc3c(=O)c2cc1C(=O)O 27648638 TVFBQCFVEVWLCD-UHFFFAOYSA-N 370.405 3.728 5 1 FHBF CCOc1ccc2[nH]c3c([N+](=O)[O-])ccc4c3c(nn4CCN(C)C)c2c1 27182170 GFKYWTZAZLGMEK-UHFFFAOYSA-N 367.409 3.539 5 1 FHBF COc1cc(C2(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CC2)ccc1C 587925639 BUXIMYZRQHDKHS-UHFFFAOYSA-N 368.349 3.776 5 1 FHBF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645436 UXHKVYIEERJPBM-UHFFFAOYSA-N 352.215 3.907 5 1 FHBF O=[N+]([O-])c1cc2nc(-c3ncc(Br)cc3F)[nH]c2cc1F 587155808 SOFUAXVCHAKZJQ-UHFFFAOYSA-N 355.098 3.574 5 1 FHBF COc1ccc(/C=C\Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(OC)c1 587928398 BFEQGBXEXUYXJC-ARJAWSKDSA-N 357.341 3.883 5 1 FHBF O=c1c2oc3c(Br)cc(O)cc3c2oc2cc(O)cc(O)c12 13535733 KVKRLMGFFGPZFA-UHFFFAOYSA-N 363.119 3.572 5 1 FHBF CCCc1cccc2c1ncc1c(=O)n(CC)c(=O)n(C3CCCC3)c12 117790607 IAIFPELWEXGBKC-UHFFFAOYSA-N 351.450 3.799 5 1 FHBF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc([N+](=O)[O-])cc2[nH]1 587043508 QXNBIYMYTCJUDO-AWEZNQCLSA-N 374.809 3.780 5 1 FHBF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586882130 KNRYFXFRPYUYNE-UHFFFAOYSA-N 351.362 3.708 5 1 FHBF COc1cc2c3c(cc4ccc(O)cc4c3c1)N(CCCN(C)C)C2=O 27109309 CXRPFVBRGQBSQY-UHFFFAOYSA-N 350.418 3.619 5 1 FHBF CC[C@H](C)NC(=O)c1cnc(N[C@H](C)CC)nc1-c1cccc([N+](=O)[O-])c1 82135859 ZPGXSDKIQDOPOY-QWHCGFSZSA-N 371.441 3.791 5 1 FHBF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586915678 GPLSMKSUQCIRAE-VLIAUNLRSA-N 365.389 3.996 5 1 FHBF CCOc1c([N+](=O)[O-])c(N(CC)Cc2ccc(Cl)nc2)n(C)c1C 103181795 VMRBDXKQOWSDHN-UHFFFAOYSA-N 352.822 3.715 5 1 FHBF C[N@+]1(C[C@@H](O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)c1ccccc1)C2 261174473 UOBMQJGLFUHOEX-KQWJERSKSA-N 366.481 3.717 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1[N+](=O)[O-])CC2=O 587473468 VQWCDLWQAKQRND-KRWDZBQOSA-N 357.362 3.968 5 1 FHBF COC(=O)c1cc2c3ccccc3[nH]c2c2cn(Cc3ccc(F)cc3)c[n+]12 299844477 AFNSHCIBSIKAMJ-UHFFFAOYSA-O 374.395 3.835 5 1 FHBF Oc1nnc2c3cc(CNC4CCC(O)CC4)ccc3oc3cccc1c32 38267309 FWHQMCOYZBRPKV-UHFFFAOYSA-N 363.417 3.628 5 1 FHBF CC(=O)Nc1c2ccccc2c2c3c(cccc13)C(=O)[C@@H](CCN(C)C)C2=O 49932133 ZXXHVPGSHYJQCC-GOSISDBHSA-N 374.440 3.898 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)CC2=O 587472736 LYOOOMQIZSOKEM-INIZCTEOSA-N 373.361 3.674 5 1 FHBF CCc1nc2ccc(O)c3c2c(c1C[C@@H](C)[N+](=O)[O-])-c1ccccc1C3=O 586987876 UHKSZMCLOIRWLF-LLVKDONJSA-N 362.385 3.922 5 1 FHBF CC[N@@+]12CCc3cc4c(cc3[C@@H]1Cc1ccc(OC)c(OC)c1C2)OCO4 253639736 QEFMNEDYHHFZNB-MBSDFSHPSA-N 368.453 3.623 5 1 FHBF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cc2N1 587123421 ICWWHHUNDQQRML-HQJQHLMTSA-N 366.303 3.642 5 1 FHBF Cc1c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cccc1[N+](=O)[O-] 587261099 TWMXBUMXVYXYCY-UHFFFAOYSA-N 357.679 3.860 5 1 FHBF O=C(O)CCC[C@@H]1[C@H]2CCC[N@@+]3([O-])CCC[C@@H](CN1Cc1ccccc1)[C@@H]23 299811140 GSSHMZUWXVVKBL-XTQSJJPXSA-N 372.509 3.629 5 1 FHBF O=C(Nc1nc2cc(-c3ccccc3)ccn2n1)c1cccc([N+](=O)[O-])c1 1857618153 LUKZXJUCPOPSOX-UHFFFAOYSA-N 359.345 3.557 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587006842 TWVRYMFDYXYZBZ-UHFFFAOYSA-N 358.155 3.548 5 1 FHBF O=[N+]([O-])c1ccn(CCCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)n1 587274026 RLWPVWAJALXFSE-UHFFFAOYSA-N 373.722 3.973 5 1 FHBF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc([N+](=O)[O-])cc31)CC2=O 587469788 FPXRWTOQTJBVQP-HXUWFJFHSA-N 369.373 3.896 5 1 FHBF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587644648 JRBSTGURKINIAX-UHFFFAOYSA-N 358.737 3.752 5 1 FHBF O=C(COc1cccc(Oc2ccccc2)c1)Nc1ncc([N+](=O)[O-])s1 653882970 BLXQCKRVCKTHNB-UHFFFAOYSA-N 371.374 3.861 5 1 FHBF CC(C)(NC(=O)c1ccc2c(=O)c3ccccc3[nH]c2c1)c1ccccn1 14970300 DJKRFTCBXZWNQT-UHFFFAOYSA-N 357.413 3.741 5 1 FHBF Cc1cc(Cl)cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c12 587091326 DQSAHDYHNHVEAN-UHFFFAOYSA-N 359.695 3.859 5 1 FHBF O=Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc([N+](=O)[O-])c1O 587510399 KPMFYYBCWWDAHY-SFHVURJKSA-N 367.357 3.698 5 1 FHBF O=C1c2c(O)cccc2C(Cc2ccc([N+](=O)[O-])cc2)c2cccc(O)c21 26951458 SBIOAYOSJBGFTD-UHFFFAOYSA-N 361.353 3.925 5 1 FHBF COc1cc2c3c(c1)O[C@@H](c1ccc4cccnc4c1[N+](=O)[O-])[C@@H](C2)C3=O 587431754 RBLYXCBNVFJEJB-XOBRGWDASA-N 362.341 3.640 5 1 FHBF NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3 28762104 KLSCNGXXALOZOO-UHFFFAOYSA-N 366.380 3.707 5 1 FHBF CN(C)CCN1C(=O)c2cccc3c2c(cc2cccc(Cl)c23)C1=O 26831184 MEDZNBRGZIAAEE-UHFFFAOYSA-N 352.821 3.804 5 1 FHBF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ncccc2[N+](=O)[O-])N1 587746139 JGLTUXOTDSVCRH-RTHLEPHNSA-N 366.190 3.515 5 1 FHBF Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C(F)(F)F)cccc32)cc1 28639739 HTMQMAGZNFLTMQ-UHFFFAOYSA-N 371.318 3.506 5 1 FHBF O=[N+]([O-])c1ccccc1O[C@H](CCn1ccnc1)COc1ccccc1 45393523 AZIAGXWDLBETEL-QGZVFWFLSA-N 353.378 3.708 5 1 FHBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1OC)CC2=O 587472743 MBVYJHHHHLAFRD-SFHVURJKSA-N 357.362 3.968 5 1 FHBF CNc1ncc2c(n1)c(Nc1ccccc1)nc1cc(C(=O)OC)ccc12 114267339 PYQUQCIQQCVSOU-UHFFFAOYSA-N 359.389 3.750 5 1 FHBF COc1ccc(C[C@@H]2c3c(ccc(OC)c3OC)CC[N+]2(C)C)cc1OC 40575604 HTIUQFMXVOSNSP-QGZVFWFLSA-N 372.485 3.637 5 1 FHBF COc1cc2nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c2cc1Cl 587149876 IIOULGSEQATUIL-UHFFFAOYSA-N 351.721 3.851 5 1 FHBF O=[N+]([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)c2ccccc12 473167410 IHWYWWBBAZQGSD-UHFFFAOYSA-N 364.329 3.827 5 1 FHBF O=c1[nH]c(/C=C/c2ccc(Br)cc2)nc2ccc([N+](=O)[O-])cc12 49067908 MQDZSERQFYPEPW-FPYGCLRLSA-N 372.178 3.764 5 1 FHBF Oc1c2nc(c(O)c3ccc([nH]3)c(O)c3nc(cc4ccc1[nH]4)C=C3)C=C2 64625109 CJAFHDHFNAMRLY-UHFFFAOYSA-N 358.357 3.772 5 1 FHBF in-vitro Nc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1 96915908 MHKWJWZUIGOANW-UHFFFAOYSA-N 357.204 3.711 5 1 FHBF O=[N+]([O-])c1cnc(/C=C/c2ccc(OCc3ccccc3)cc2)n1CCO 103256000 DHMKORJZNNTDRN-DHZHZOJOSA-N 365.389 3.533 5 1 FHBF CN1C[C@](O)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)O[C@H]2CCCC[C@@H]21 473113864 HQYSPNZMRLTJSN-PCCBWWKXSA-N 368.433 3.680 5 1 FHBF O=[N+]([O-])c1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587016774 CBDOSJIQPHWEKA-UHFFFAOYSA-N 365.374 3.592 5 1 FHBF O=[N+]([O-])c1ccc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1F 587148834 DDVUTNPNWNOMQU-UHFFFAOYSA-N 357.128 3.891 5 1 FHBF O=[N+]([O-])c1cc2nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c2cc1Cl 587159203 MQLJDMOPRCWGTC-UHFFFAOYSA-N 366.692 3.751 5 1 FHBF N=c1sc2c(n1CC(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1C2 101747907 UPPFCAGNQPAMOX-KGLIPLIRSA-N 371.462 3.725 5 1 FHBF C[N+]1(CCCOc2cc(O)c3c(=O)c4ccccc4oc3c2)CCCC1 299832286 UIKOSBRNISFNQY-UHFFFAOYSA-O 354.426 3.661 5 1 FHBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccccc2[nH]1 587263346 LOLVBSCNJXNKCI-NSHDSACASA-N 355.350 3.822 5 1 FHBF CS(=O)(=O)Nc1ccc(Nc2cc3cncnc3c3ccccc23)cc1 66065926 QGVGDVLOAKFFKW-UHFFFAOYSA-N 364.430 3.898 5 1 FHBF O=c1ccc2cc(OCc3cc(-c4ccccc4[N+](=O)[O-])no3)ccc2o1 230502648 FSRYROZUKBJEOK-UHFFFAOYSA-N 364.313 3.935 5 1 FHBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1[N+](=O)[O-])O2 587388779 GMTKHWXMXTUXII-LJQANCHMSA-N 363.373 3.983 5 1 FHBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587649766 ZNIMDEKQOSETKY-OAHLLOKOSA-N 361.398 3.693 5 1 FHBF