smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)c1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2n1 587269736 NHIWAAFDFDUFOK-UHFFFAOYSA-N 373.416 4.893 5 1 FJBF O=[N+]([O-])c1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cc1[N+](=O)[O-] 587960975 HFZNEOYKADYMPM-UHFFFAOYSA-N 374.356 4.637 5 1 FJBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4ccccc4OC[C@H]23)c1 5823939 POMPFSPBIKPLIR-KNQAVFIVSA-N 371.396 4.569 5 1 FJBF c1cc2nc3ccc(CN4CCCCC4)cc3nc2cc1CN1CCCCC1 6567385 MACHGIYZBMWUME-UHFFFAOYSA-N 374.532 4.755 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cccc(Cl)c2[nH]1 587109730 MPUAEPRLIAHNJF-UHFFFAOYSA-N 355.703 4.734 5 1 FJBF Cc1cc2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1[N+](=O)[O-] 587226388 PTPGSPONKKUGDB-MRXNPFEDSA-N 374.441 4.536 5 1 FJBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br 587208314 PMLMNWZNFKUPQL-UHFFFAOYSA-N 355.191 4.671 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951203 YCNLUJQHSHFLEE-KHPPLWFESA-N 358.357 4.829 5 1 FJBF Cc1oc2c(c1-c1nc3cc4nc5ccccc5nc4cc3[nH]1)C(=O)CCC2 586903121 GBVBJIUBHJZCHG-UHFFFAOYSA-N 368.396 4.747 5 1 FJBF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645637 ALRXIGKRUVJRMR-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCS[C@H](c1ccccc1)c1cccc(F)c1 28469113 ADDKPQKZFXXXDW-LJQANCHMSA-N 371.437 4.762 5 1 FJBF O=[N+]([O-])c1c(Nc2ccc(C(F)(F)F)cc2Cl)ccc2nonc12 95596784 SWQOCNLECHTDGF-UHFFFAOYSA-N 358.663 4.547 5 1 FJBF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587646113 KEFWDDPLMYDMNQ-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(Cl)ccc21 29037568 OWYXNMFPEOCLOC-UHFFFAOYSA-N 356.897 4.930 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cnc5ccccc5c4[nH]3)c2)c1 587270965 YIGLPCNHTRROQY-UHFFFAOYSA-N 367.368 4.748 5 1 FJBF O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 206652732 OZMOZYSNNYCTFH-ZHZULCJRSA-N 356.381 4.682 5 1 FJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(C(C)(C)C)cc3[nH]2)c1 587261387 AJIXHKHGIBWULJ-UHFFFAOYSA-N 353.422 4.699 5 1 FJBF O=c1c2ccc(OCCCC(F)(F)F)cc2[nH]c2cc(F)cc(F)c12 1857617245 JKZYOOUSSIPBQH-UHFFFAOYSA-N 357.278 4.681 5 1 FJBF COc1ccc([C@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587938709 ZDPWDYDRAPYLJJ-FQEVSTJZSA-N 359.385 4.660 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2c1 587123553 DPLZNYSAMUQOFK-UTCJRWHESA-N 366.324 4.648 5 1 FJBF Cc1ccc2c(ccc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c32)n1 587270407 XFRIEFAMIKCYQD-UHFFFAOYSA-N 373.416 4.595 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)O2 587390545 REJXQMXGLFLRFR-NRFANRHFSA-N 374.396 4.859 5 1 FJBF N=C(N)NCCCCCCNCc1ccc2ccc3cccc4ccc1c2c34 28825495 VYVJDBJUTULZKD-UHFFFAOYSA-N 372.516 4.717 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152290 CHCFFXBWNOXOJJ-QZTJIDSGSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3Cl)s2)o1 103277324 ILQCSWRGIMTUEI-UHFFFAOYSA-N 353.812 4.652 5 1 FJBF O=[N+]([O-])c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1N1CCCCC1 587211078 LBDFRBODBNKLIC-UHFFFAOYSA-N 359.429 4.899 5 1 FJBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587644829 CSNCYCPVNVOCBS-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF O=C(O)c1ccccc1Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 62260198 PAIOJHHKIKYJJX-UHFFFAOYSA-N 350.330 4.829 5 1 FJBF O=C1c2ccccc2-c2cc(-c3cccc([N+](=O)[O-])c3)nc3ccc(O)c1c23 586987185 KZTWUDHKOHIRHQ-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF Fc1ccc2[nH]cc(Cc3nc4cc5nc6ccccc6nc5cc4[nH]3)c2c1 587174007 BOVDREZLAZFMIA-UHFFFAOYSA-N 367.387 4.871 5 1 FJBF Fc1cccc(F)c1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73157212 ABUQYEHMIDSXIU-UHFFFAOYSA-N 374.354 4.590 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)O2 587388870 HCIPAYMGEGCEMR-NRFANRHFSA-N 374.396 4.859 5 1 FJBF O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])[N@@]1C1CCCCC1 1857623774 OFIHBIHVNYDAGB-JAXLGGSGSA-N 350.418 4.536 5 1 FJBF Cc1c(-c2nc3ccc(F)c(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979944 KZIFSHUZALDQGP-UHFFFAOYSA-N 364.174 4.657 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 587270649 PJXDZMGSPVEINI-UHFFFAOYSA-N 368.755 4.993 5 1 FJBF Cc1cc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2c(C)n1 587272472 UGZCYHCVCJXDTF-UHFFFAOYSA-N 360.373 4.942 5 1 FJBF CC[N+](O)(CC)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1 1857593817 VDQFHYJEANFMOY-UHFFFAOYSA-O 366.441 4.639 5 1 FJBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 587066334 LHJSLBHHTJOMBF-UHFFFAOYSA-N 352.781 4.891 5 1 FJBF O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])[N@]1C1CCCCC1 1857622243 OFIHBIHVNYDAGB-VWPQPMDRSA-N 350.418 4.536 5 1 FJBF Cc1ccc(F)cc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73159081 MSUFNCHTJLZAPS-UHFFFAOYSA-N 370.391 4.759 5 1 FJBF O=C1C[C@@]2(CCCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 587511375 GMFKRFXBOSZDHN-JOCHJYFZSA-N 363.413 4.671 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Cl)nc2[nH]1 586968260 AOMIOZBCGAWCOE-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1F 587242079 GUXXQGJODQDALB-UHFFFAOYSA-N 364.336 4.726 5 1 FJBF COc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1F 587265063 LSGCWRCLTUIOTB-UHFFFAOYSA-N 353.309 4.546 5 1 FJBF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587645957 GQJSCJPZCGHXSH-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1[N+](=O)[O-] 28710725 FYNVJEWGKOWZIY-UHFFFAOYSA-N 361.357 4.580 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151873 PNLHOADYGQJVLG-ACDBMABISA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@H]3c4ccccc4OC[C@@H]23)c1 5823942 POMPFSPBIKPLIR-UGKGYDQZSA-N 371.396 4.569 5 1 FJBF CNc1cccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)c1 587234158 COKBOPJRUOPKND-UHFFFAOYSA-N 362.364 4.986 5 1 FJBF Cc1cc(Cl)ccc1O[C@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280318 SIAAZXRBYOKNJM-LLVKDONJSA-N 359.765 4.953 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951204 YCNLUJQHSHFLEE-ZHACJKMWSA-N 358.357 4.829 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1[N+](=O)[O-])CC2=O 587460998 ILNRNJQTAAIVGF-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF Cc1cc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] 587077502 UTZXQKKZCVAZBM-KRWDZBQOSA-N 370.840 4.770 5 1 FJBF O=C1C[C@H](c2ccc3ncccc3c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513448 SQPFBZMIGHYTJJ-HXUWFJFHSA-N 374.396 4.728 5 1 FJBF Cc1cc(N(C)Cc2nc3cc(C)c(Cl)cc3[nH]2)c([N+](=O)[O-])cc1F 587137429 ZRMNGMSQXWDBFK-UHFFFAOYSA-N 362.792 4.517 5 1 FJBF Cc1cnc(Cl)c2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 587264298 FOJCQRQRBKTODT-UHFFFAOYSA-N 354.753 4.755 5 1 FJBF CC(C)Oc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccc2ccccc2c1 95580466 FMJGNDOJMOMJNS-UHFFFAOYSA-N 361.401 4.933 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cc1Cl 587024080 UXNDLAAAHYEAGL-UHFFFAOYSA-N 356.794 4.915 5 1 FJBF c1ccc(C[N@@+]23CCc4cc5c(cc4[C@@H]2Cc2ccccc2C3)OCO5)cc1 253639868 WADSZSZAXANUOR-JYFHCDHNSA-N 370.472 4.786 5 1 FJBF CCCC(Br)(CCC)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 586971467 SKCGDHIPIXRCJM-UHFFFAOYSA-N 354.248 4.970 5 1 FJBF COc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587048018 OZUWVCSEZWIZFJ-HWKANZROSA-N 364.188 4.957 5 1 FJBF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)s1 587645278 NSHCRTOEKNUTAO-UHFFFAOYSA-N 368.336 4.950 5 1 FJBF Cc1c(F)ccc2c1[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)NCC2 962147794 QMSGNORPTCNRRO-JOCHJYFZSA-N 362.404 4.944 5 1 FJBF CCCc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 169342934 RXALAVFBTNCEHG-UHFFFAOYSA-N 355.346 4.584 5 1 FJBF O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645552 YTKYZQOUQQDSKC-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF Clc1ccccc1NCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587062523 UTFOJJBRBHPMCW-UHFFFAOYSA-N 359.820 4.925 5 1 FJBF C[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587099012 VUQFJVGBSHBHBA-MRVPVSSYSA-N 353.275 4.781 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1cc2c3c(cccc3n1)CC2 587210010 AKLVQQGGBGANCG-UHFFFAOYSA-N 358.319 4.851 5 1 FJBF O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645326 QAYFDOTUYALEFD-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2cc([N+](=O)[O-])ccc12 587645868 MYHRPSPPFWPOGD-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF O=[N+]([O-])c1cc2nc(/C=C/c3cccc4ccccc34)[nH]c2cc1[N+](=O)[O-] 587969980 XIUCIFQNMWBKQL-CMDGGOBGSA-N 360.329 4.703 5 1 FJBF O[C@@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1ccc1ccccc12 169333993 SDAMQELJAHESIM-KSSFIOAISA-N 374.406 4.972 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1F 587033039 PPTAJQDVDPJLHE-UHFFFAOYSA-N 368.393 4.618 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl 587048207 REWVYNFMOOCYKR-DUXPYHPUSA-N 368.702 4.709 5 1 FJBF CCOc1ccc(OCC)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587779259 ZREYCLWRBJRRPC-UHFFFAOYSA-N 361.785 4.589 5 1 FJBF O=C1c2ccccc2-c2cc(-c3ccc(O)c([N+](=O)[O-])c3)nc3cccc1c23 587105253 VESNQHFCWAFZNZ-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(F)cc1F 587645717 IPDINPCZGTXQCF-UHFFFAOYSA-N 373.359 4.904 5 1 FJBF O=[N+]([O-])c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016091 PGABUPUEHHAVIL-UHFFFAOYSA-N 356.794 4.915 5 1 FJBF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc([N+](=O)[O-])c12 587646323 NYVNIVJFNKIDBT-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF O=C(Oc1cc(O)nc2c1ccc1ccccc12)c1ccc(F)cc1F 1772603154 AOCOIBSCNPSSQN-UHFFFAOYSA-N 351.308 4.591 5 1 FJBF Cc1ccc(O)c(C(c2cc(C)ccc2O)c2cc([N+](=O)[O-])ccc2O)c1 31871850 CXFLPJFRXKVYSF-UHFFFAOYSA-N 365.385 4.509 5 1 FJBF Cc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2cc1[N+](=O)[O-] 587076230 RIVGCOAITOFXCJ-UHFFFAOYSA-N 367.796 4.594 5 1 FJBF O=C(c1c(-c2cccc(F)c2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645183 KLAHQLBPCNBKHP-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784923 WDRMUDNHZKBTSL-FLIBITNWSA-N 372.384 4.616 5 1 FJBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(Br)cc1 587644074 MKABXDUBHKLVJU-UHFFFAOYSA-N 373.206 4.632 5 1 FJBF O=[N+]([O-])c1ccc([C@H]2NCCc3cccc(Cl)c32)c(Cl)c1Cl 963380345 JRBXOJSWWXHZMJ-OAHLLOKOSA-N 357.624 4.790 5 1 FJBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCCC[C@@H]1C3 13378559 HIIPBPYYJOYQBL-CQSZACIVSA-N 363.457 4.626 5 1 FJBF biogenic COC(=O)/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(\C)C(=O)OC 13410750 OXNHRKGZZFWUQZ-KYBHHSLLSA-N 356.462 4.786 5 1 FJBF endogenous,in-man COc1ccccc1-c1nnc(-c2cc3c(ccc4ccccc43)oc2=O)o1 2472713 KWNPTJKQJPERIA-UHFFFAOYSA-N 370.364 4.672 5 1 FJBF Cc1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3SCC(C)C)nc2c(C)n1 586973640 QBFRKZCCPWYZEL-UHFFFAOYSA-N 356.451 4.898 5 1 FJBF O=C(c1c(-c2ccco2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)F 587645055 IXTBJHNLQVUFDT-UHFFFAOYSA-N 374.221 4.716 5 1 FJBF NCCCCNCCCCNCc1ccc2ccc3cccc4ccc1c2c34 13529668 XDZROCGDIFXOFV-UHFFFAOYSA-N 373.544 4.782 5 1 FJBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@H]1C3 211160443 QQVQWZFYCBFODR-AWEZNQCLSA-N 363.457 4.626 5 1 FJBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cccc1[N+](=O)[O-] 587261093 SPSVETKNYBALED-UHFFFAOYSA-N 355.357 4.543 5 1 FJBF Cc1c(Br)csc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280534 ZASMNSWTBZYBEI-UHFFFAOYSA-N 366.192 4.704 5 1 FJBF Cc1c2c[n+](C)ccc2c(C)c2c1c1cc(Br)ccc1n2C 72120624 JTORCTKRAGYYTH-UHFFFAOYSA-N 354.271 4.689 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2c1 587164669 UVPUKEYVSKIAOA-ZSOIEALJSA-N 366.377 4.656 5 1 FJBF COc1c(-c2cc3c4c(cccc4n2)CC3)cc(Cl)c(C)c1[N+](=O)[O-] 587209328 NPZUMCWUCZRHMD-UHFFFAOYSA-N 354.793 4.879 5 1 FJBF CCCOc1ccc2sc3cc(-c4nnc(C)o4)ccc3c(=O)c2c1 13755833 NVMMXPUWLPYMLK-UHFFFAOYSA-N 352.415 4.562 5 1 FJBF COc1ccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095513 IGOKHJCNIRCOIC-UHFFFAOYSA-N 371.702 4.819 5 1 FJBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587267052 DYCWDJREAFQLRJ-CYBMUJFWSA-N 371.400 4.892 5 1 FJBF C[n+]1cccc(-c2c3ccccc3c(-c3ccc[n+](C)c3)c3ccccc23)c1 1911577012 RHHGDWKSZVKADK-UHFFFAOYSA-N 362.476 4.976 5 1 FJBF CCCCCc1ccc(-c2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1 15937292 NAVUKPCIIBGULO-UHFFFAOYSA-N 350.422 4.634 5 3 FJBF O=[N+]([O-])c1ccc(Sc2c3cc4c(cc3nc3occc23)OCO4)cc1 29044168 XJXWRDQFJZBGPS-UHFFFAOYSA-N 366.354 4.769 5 1 FJBF O=[N+]([O-])c1cccnc1NCc1nc2c3ccccc3c3ccccc3c2[nH]1 587268506 AWXXZEZWQRCQKS-UHFFFAOYSA-N 369.384 4.785 5 1 FJBF O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645176 KGHWBHFKGVAQJV-UHFFFAOYSA-N 374.221 4.554 5 1 FJBF O=C(c1ccco1)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645261 NAVMKXUIAHTRGA-UHFFFAOYSA-N 374.221 4.554 5 1 FJBF C[C@@H]1CC=C[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13829892 PHVLNRZLQDGIAJ-NMSZZDKCSA-N 362.429 4.507 5 1 FJBF O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)c1ccco1 828577 IXFAXMLZEWUMEH-UHFFFAOYSA-N 358.737 4.886 5 3 FJBF CCCc1c(O)ccc2c1O[C@@](CC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472363 HJOMHQKUCOHPFI-HXUWFJFHSA-N 355.390 4.524 5 1 FJBF O=c1oc2c(ccc3ccccc32)c2c1CN1CCc3ccccc3[C@H]1C2 64499415 FDJKLCMGUQCEJF-JOCHJYFZSA-N 353.421 4.602 5 1 FJBF O=[N+]([O-])c1cccc2c(Oc3ccccc3C(F)(F)F)cc(O)nc12 299863113 KQYDLRXGOIFCTH-UHFFFAOYSA-N 350.252 4.660 5 1 FJBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586885749 DDXQDBBTVAISCW-JLCFBVMHSA-N 368.440 4.805 5 1 FJBF Cc1cc(N(C)Cc2nc3cc(Cl)cc(C)c3[nH]2)c([N+](=O)[O-])cc1F 587136575 GQNSCUWDBBZRLF-UHFFFAOYSA-N 362.792 4.517 5 1 FJBF O=c1oc2ccccc2cc1-c1nc2ccccc2c2nc3ccccc3n12 66252776 BMQANLYDXHBRTI-UHFFFAOYSA-N 363.376 4.809 5 1 FJBF Cc1cc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)c(C)o1 587645492 WYHAHLJWHZKZFG-UHFFFAOYSA-N 352.268 4.698 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784922 WDRMUDNHZKBTSL-DHZHZOJOSA-N 372.384 4.616 5 1 FJBF COc1ccc(-c2csc3c2[N@@+]2(C)C=CC=C2[C@H]3N2CCCC2)cc1 254073915 AOMXUERMDCAJHH-XXBNENTESA-N 351.495 4.923 5 1 FJBF OCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12 95578828 RJVFBQKEZMEIEB-UHFFFAOYSA-N 371.234 4.643 5 1 FJBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587645990 IAKUPBJMRVTPOG-UHFFFAOYSA-N 362.307 4.888 5 1 FJBF Nc1scc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)c1ccc(Cl)cc1 43013271 SEFHAMIJNCTRDW-UHFFFAOYSA-N 358.806 4.790 5 1 FJBF Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152232 FPBBKOFNQVUXDJ-ACDBMABISA-N 369.485 4.501 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1cccc(F)c1)c1cccc(F)c1)C2 103233986 HRJMEBQOMIUMNQ-XRMCVISESA-N 372.479 4.608 5 1 FJBF O=C1C[C@H](c2ccc3cccc([N+](=O)[O-])c3n2)Oc2c1ccc1c2CCCC1 587511323 FWZLCRZEUYFPBR-HXUWFJFHSA-N 374.396 4.728 5 1 FJBF O[C@H]1[C@H](O)c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H]2O[C@@H]21 299813766 WVRJTJXJEXHJBK-NAVOZUGXSA-N 352.389 4.585 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3ncsc3-c3ccccc3)[nH]c2cc1Cl 587027698 GNMLGQBWEKHWDO-UHFFFAOYSA-N 356.794 4.915 5 1 FJBF O=C(O)c1[nH]c(O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c12 53682995 LTOZELYBRTWMHC-UHFFFAOYSA-N 355.353 4.841 5 1 FJBF in-vivo COc1cc(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c([N+](=O)[O-])cc1OC 587631625 RBVWPOMFEVBOLF-UHFFFAOYSA-N 364.760 4.861 5 1 FJBF O=[N+]([O-])c1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cc1[N+](=O)[O-] 587959341 QLNHVCPTCLCYAC-UHFFFAOYSA-N 374.356 4.637 5 1 FJBF O[C@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H]2O[C@H]2[C@@H]1O 195434549 WVRJTJXJEXHJBK-KEZOAJOQSA-N 352.389 4.585 5 1 FJBF CC(C)CCOc1ccc(Cn2ccnc2)c2c(=O)c3ccccc3oc12 95592382 ZWHZNYABNPIRLV-UHFFFAOYSA-N 362.429 4.616 5 1 FJBF Cn1c2nc3ccccc3c-2c(NCCCN)c2cc(C(F)(F)F)ccc21 103076235 KZLZAZPGIWQGLE-UHFFFAOYSA-N 372.394 4.611 5 1 FJBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3CCC2)c2ccccc12 169718573 VQRZUXKMLXQVAW-BETUJISGSA-N 362.385 4.871 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587160068 FCLVGBDEMFIVRM-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF O[C@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H]2O[C@@H]2[C@@H]1O 169354177 WVRJTJXJEXHJBK-OLKYXYMISA-N 352.389 4.585 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3c(C)ccnc3[nH]2)cc([N+](=O)[O-])c1 587137120 UOOIVCBGXCYORU-UHFFFAOYSA-N 362.364 4.956 5 1 FJBF O=C(c1cc(C(F)(F)F)cnc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280189 NBUFZQGTONFDDQ-UHFFFAOYSA-N 370.670 4.639 5 1 FJBF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587509822 JPNJXVUFICJXIH-HXUWFJFHSA-N 367.401 4.579 5 1 FJBF CC(=Cc1ccc([N+](=O)[O-])cc1)C=C(C)CCc1oc(=O)c(C)c(O)c1C 2356839103 UERDCRYIPVUCBM-UHFFFAOYSA-N 369.417 4.853 5 1 FJBF C[N+]1(CCOC(=O)[C@H](c2ccsc2)C2CCCCC2)CCCCCC1 13864180 WQWIGYYQGVENDF-FQEVSTJZSA-N 364.575 4.976 5 1 FJBF Cc1cc(C)cc([C@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 29337939 BJJJSGQJKQBNMT-OAQYLSRUSA-N 365.433 4.523 5 1 FJBF COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)[nH]c2c(C)cc(Cl)cc12 587627507 ZLAQSLRXCKKMSH-UHFFFAOYSA-N 373.796 4.607 5 1 FJBF CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643045 AVWLVQJQLAMHHK-UHFFFAOYSA-N 374.238 4.567 5 1 FJBF Nc1cc(C(=O)O)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 587251161 ABWJYQBKJLVRCH-UHFFFAOYSA-N 353.381 4.817 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)C[C@H]2CCCC[C@@H]2C4)cc1 34600267 DPDQMVYTRKLCKF-ZIAGYGMSSA-N 353.447 4.876 5 1 FJBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)oc2c1[C@@H](O)CCC2 586903498 KQBNOOMSSDJNGG-SFHVURJKSA-N 370.412 4.597 5 1 FJBF O=[N+]([O-])c1ccc2c(-c3ccc(F)cc3)c(-c3ccc(O)cc3O)[nH]c2c1 587645728 IZFRBVKIKUNAGQ-UHFFFAOYSA-N 364.332 4.960 5 1 FJBF CCOC(=O)c1[nH]cc(C)c1-c1cccn1-c1ccc(Cl)cc1[N+](=O)[O-] 1650877 VVLXRDSQXPILBD-UHFFFAOYSA-N 373.796 4.519 5 1 FJBF NCCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857545073 JQMAOPHQNFQFRQ-UHFFFAOYSA-N 372.424 4.892 5 1 FJBF COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c2c1CCC(C)(C)O2 33831994 OJFZQSUOBVJAIP-UHFFFAOYSA-N 366.369 4.510 5 1 FJBF biogenic,in-vitro Cc1c(F)ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 587110165 UVSAKZBCFLMXKE-UHFFFAOYSA-N 353.275 4.528 5 1 FJBF Cc1cc(OC(F)(F)F)ccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279872 FMWXIWSOPQHJOZ-UHFFFAOYSA-N 365.263 4.779 5 1 FJBF COc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1C(F)(F)F 587280131 KNADSIKVWUNPJN-UHFFFAOYSA-N 365.263 4.599 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Cl 587047749 MCGAENJHIHHDAL-DUXPYHPUSA-N 369.595 4.997 5 1 FJBF O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])[N@@]1C1CCCCC1 1857622242 OFIHBIHVNYDAGB-TUNNFDKTSA-N 350.418 4.536 5 1 FJBF O=[N+]([O-])c1ccc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)s1 96270210 GPXSEELAIGXJPS-UHFFFAOYSA-N 373.865 4.907 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2cc1Cl 587086117 SLDZAWRYHKLXDX-UHFFFAOYSA-N 359.172 4.993 5 1 FJBF O=[N+]([O-])c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137949 UESYNZQHWXIIKE-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF O=c1cc(NC2CCCCC2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857569521 WFJJYTYRHRJWQO-UHFFFAOYSA-N 372.368 4.933 5 1 FJBF Oc1cccc(CCCCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 586896109 KSRKQAACPYKHCV-UHFFFAOYSA-N 368.440 4.930 5 1 FJBF Cc1cc(C)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586979730 JPPCMZOVFBYMJJ-UHFFFAOYSA-N 360.211 4.826 5 1 FJBF O=[N+]([O-])c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113264 UXLVNOPIZOHALH-UHFFFAOYSA-N 358.279 4.705 5 1 FJBF COC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(Cc2ccccc2)c1C 73224620 LXWRILRNBOXLJS-UHFFFAOYSA-N 364.401 4.515 5 1 FJBF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C)cc1[N+](=O)[O-])CC2=O 587472560 JVKYDKJKZOSWCI-OAQYLSRUSA-N 369.417 4.528 5 1 FJBF COc1cccc(C2(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CCCC2)c1 587932547 FZZSFUXRYDNKJK-UHFFFAOYSA-N 351.406 4.648 5 1 FJBF CN1C(=O)c2c(c3c4ccccc4[nH]c3c3cc4ccccc4cc23)C1=O 28520772 GTGILENJRGUCPB-UHFFFAOYSA-N 350.377 4.853 5 1 FJBF Cc1nc(C2CC2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587013213 ZFPVJRWKUKVCDT-UHFFFAOYSA-N 357.442 4.969 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Cl 587048453 VYGQRCGEVCRWKL-DUXPYHPUSA-N 369.595 4.997 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1 5893086 IZPCROSYAJNLQO-IBGZPJMESA-N 371.824 4.559 5 1 FJBF O[C@@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1ccc1ccccc12 169333996 SDAMQELJAHESIM-KDOFPFPSSA-N 374.406 4.972 5 1 FJBF CCCn1cc(CNc2c3ccccc3nc3c2oc2ccccc23)nn1 1772579661 XZDWHBSFWKXSFR-UHFFFAOYSA-N 357.417 4.748 5 1 FJBF CC[C@H](C)c1ccc2[nH]c(Cc3cccc([N+](=O)[O-])c3)c(C(=O)OC)c2c1 587642465 MAROADSYHIUAMM-ZDUSSCGKSA-N 366.417 4.967 5 1 FJBF C[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587099013 VUQFJVGBSHBHBA-QMMMGPOBSA-N 353.275 4.781 5 1 FJBF C[n+]1c2ccccc2c(NCCCN2CCCCC2)c2[nH]c3ccccc3c21 28979852 UEVXXFZNPZOHLP-UHFFFAOYSA-O 373.524 4.587 5 1 FJBF O=[N+]([O-])c1cc(Nc2cc(-c3ccccc3)ncn2)ccc1Br 40833937 LEBJQWAVNREOIG-UHFFFAOYSA-N 371.194 4.558 5 1 FJBF Cn1c2nc3ccccc3c-2c(NCCCCN)c2cc(Cl)ccc21 102994629 RUBHTIIYPBFHDM-UHFFFAOYSA-N 352.869 4.636 5 1 FJBF CCCc1c(F)c(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)C=CC(C)(C)O1 169342978 TUGGGDKFWTXBRK-UHFFFAOYSA-N 373.336 4.723 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)c(Cl)cnc3[nH]2)ccc1Cl 587047750 MCGAENJHIHHDAL-RQOWECAXSA-N 369.595 4.997 5 1 FJBF COc1cccc(-c2nc(Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)c1 1857633226 MNKKGEXYUHWXJH-UHFFFAOYSA-N 372.384 4.957 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152300 UMEDKGJVCBVATI-QZTJIDSGSA-N 371.526 4.661 5 1 FJBF Cc1c(-c2nc3cccc(Cl)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980429 YPUGKZSCXUWHJO-UHFFFAOYSA-N 366.602 4.862 5 1 FJBF O=[N+]([O-])c1cc(OC(F)(F)F)ccc1Cc1cc2c3c(cccc3n1)CC2 587210042 BVHBVGIFGLZGKD-UHFFFAOYSA-N 374.318 4.731 5 1 FJBF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 587630694 AHNOWTHEJGCZEN-UHFFFAOYSA-N 362.744 4.534 5 1 FJBF O=[N+]([O-])c1ccc([C@@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 34867555 PJTRLRACXVEWHX-OAQYLSRUSA-N 357.369 4.937 5 1 FJBF CC(CO)(CO)NCc1ccc2c3cccc4cccc(c5cccc1c52)c43 29569993 RIACATXNGFHFJD-UHFFFAOYSA-N 369.464 4.570 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587270672 QBBUBUFBCMXGIS-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF c1ccc(C[N+]23CCc4cc5c(cc4[C@@H]2Cc2ccccc2C3)OCO5)cc1 43511493 WADSZSZAXANUOR-ZZHFZYNASA-N 370.472 4.786 5 1 FJBF O=C1C[C@@H](c2cc3cc([N+](=O)[O-])ccc3o2)Oc2c1ccc1c2CCCC1 587513443 SQEWGHLUWBASPH-FQEVSTJZSA-N 363.369 4.926 5 1 FJBF Cc1cc2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] 587070717 VNQFJZIMKLAQRR-NSHDSACASA-N 357.797 4.809 5 1 FJBF O=[N+]([O-])c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cc1Cl 587079635 FERITEGDLIHWHY-UHFFFAOYSA-N 361.188 4.781 5 1 FJBF CCC(C)(C)c1ccc(OCc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 587564979 RRVHFOHRWPSPOU-UHFFFAOYSA-N 357.385 4.877 5 1 FJBF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163791 CJMAWUMEROZQRF-NSHDSACASA-N 367.409 4.534 5 1 FJBF O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 2478721 SCULWHQGHGQSCO-IBGZPJMESA-N 350.399 4.527 5 1 FJBF CCCc1cc(=O)oc2c1c1c(c3oc(C)c(C)c(=O)c32)C=CC(C)(C)O1 6381615 CAVVVZRWYKLVGP-UHFFFAOYSA-N 366.413 4.653 5 1 FJBF O=[N+]([O-])c1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1 84602994 VIDQPRUJVFREGX-UHFFFAOYSA-N 360.295 4.814 5 1 FJBF Cc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cs2)o1 587017798 ZPXSHKXLTVTXPN-UHFFFAOYSA-N 360.782 4.816 5 1 FJBF O=[N+]([O-])c1ccc2c(Sc3nncs3)c(-c3ccc(F)cc3)[nH]c2c1 587646173 WENMMRHAGZWNEJ-UHFFFAOYSA-N 372.406 4.885 5 1 FJBF CCCN1[C@H](C)Cc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963258034 NEPUDXUHHYLIKN-QVKFZJNVSA-N 374.431 4.955 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587160179 KIADUVZRYKENJY-UHFFFAOYSA-N 363.348 4.856 5 1 FJBF COc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1C 587270355 MTRUUDTYWLUNKG-UHFFFAOYSA-N 360.373 4.517 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1[N+](=O)[O-])CC2=O 587460996 ILNRNJQTAAIVGF-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF O=[N+]([O-])c1c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc2cccnc12 963115584 AKJVUQUASFPNEX-KRWDZBQOSA-N 374.227 4.685 5 1 FJBF O=[N+]([O-])c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159425 PKGMBOPYTKWSIS-UHFFFAOYSA-N 373.347 4.616 5 1 FJBF COc1cccc(C2(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CCCC2)c1 587930068 DEXGTJORKITXLQ-UHFFFAOYSA-N 371.824 4.993 5 1 FJBF Cc1c(F)ccc2c1[C@@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1)NCC2 962302521 TVNZGIAKTQGDNL-NQIIRXRSSA-N 354.425 4.741 5 1 FJBF CN1C(=O)c2c(c3c4cccc(Cl)c4[nH]c3c3[nH]c4ccccc4c23)C1=O 2356625857 BPZVYXQGAYYXGA-UHFFFAOYSA-N 373.799 4.835 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl 587047114 BTMUIVBDWHBPDB-DUXPYHPUSA-N 369.595 4.997 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164764 WKLXEDWUHOYWCU-MDWZMJQESA-N 366.377 4.656 5 1 FJBF O=c1oc2ccc3ccccc3c2cc1-c1nc2ccc([N+](=O)[O-])cc2o1 1862472 MWMYIGRFPFYXAS-UHFFFAOYSA-N 358.309 4.663 5 1 FJBF CC(C)=CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)cc1 653887163 XHHDGWCKYZUIRP-UHFFFAOYSA-N 365.389 4.673 5 1 FJBF CCc1ccc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1Br 586977392 MWKQOPOMOUDKTD-UHFFFAOYSA-N 360.211 4.771 5 1 FJBF Cc1cc2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2cc1[N+](=O)[O-] 587011812 NTHBANCTMGPLPI-UHFFFAOYSA-N 364.430 4.802 5 1 FJBF Cc1cc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] 587077613 UTZXQKKZCVAZBM-QGZVFWFLSA-N 370.840 4.770 5 1 FJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2ccc(F)c(Cl)c12 587630705 ASHJFMNUYXYTNE-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF CC(=O)Nc1ccc2cc3ccc(NC(=O)c4ccc(F)cc4)cc3nc2c1 28712671 BESGXAMHVABUSC-UHFFFAOYSA-N 373.387 4.738 5 1 FJBF O=c1c2ccccc2oc2c(-c3ccccc3)ccc(Cn3ccnc3)c12 95590108 FVGABYVKVCLPEN-UHFFFAOYSA-N 352.393 4.858 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1F 587140283 XINGIIKTUKQCRA-UHFFFAOYSA-N 361.547 4.632 5 1 FJBF N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl 587055368 BBZZUGYBUOHGHH-CQSZACIVSA-N 373.847 4.555 5 1 FJBF Cc1cnc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 587105101 OLIWBDBJADBSND-UHFFFAOYSA-N 367.364 4.725 5 1 FJBF O=C(c1cc([N+](=O)[O-])c(F)c(F)c1F)c1coc2ccc(Cl)cc12 587277813 DILQETKJNOCVMM-UHFFFAOYSA-N 355.655 4.643 5 1 FJBF COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c(O)c1CC=C(C)C 33831464 PVKQULHHWVQXLE-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic,in-vitro O=C(c1cc(F)c(F)c(F)c1[N+](=O)[O-])c1coc2ccc(Cl)cc12 587278743 SKMQLEUSVJPKNK-UHFFFAOYSA-N 355.655 4.643 5 1 FJBF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280319 SIAAZXRBYOKNJM-NSHDSACASA-N 359.765 4.953 5 1 FJBF C[N+]1(CCO[P@](=O)(O)OCCCCC=C2CCCCC2)CCCCC1 27863912 LNVFQXSQFQKDTM-UHFFFAOYSA-O 374.482 4.811 5 1 FJBF Cc1cc2c(Br)ccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2o1 587002508 ASGWGTTZKBQZKD-UHFFFAOYSA-N 372.178 4.955 5 1 FJBF Cc1ccccc1CN(Cc1cccnc1)Cc1ccc([N+](=O)[O-])s1 96270203 RWBAYEUSFBJYRS-UHFFFAOYSA-N 353.447 4.562 5 1 FJBF Cc1cccc([N+](=O)[O-])c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587509648 IFILDWJFEMUXEQ-NRFANRHFSA-N 351.402 4.663 5 1 FJBF Cc1nc(-c2c[nH]cc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cs1 587021068 HMZUGXSHTFYIKD-UHFFFAOYSA-N 359.798 4.552 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cc1 587271650 DWCFRDLJEXDAQL-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3ccc(Br)cc3F)[nH]c2cc1Cl 587143184 ZSQKVGRNAPAMBE-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF CC1(C)COc2c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cccc21 586911287 GKVRYZJOVPFTQD-UHFFFAOYSA-N 366.424 4.996 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)cc(F)c2[nH]1 587110218 WVPSCEIHUDZWSP-UHFFFAOYSA-N 373.693 4.873 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)o1 587265939 UYQXNJQQVXTFOZ-UHFFFAOYSA-N 359.263 4.815 5 1 FJBF CCc1ccc(-c2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)cs2)cc1 587016455 WCRCLFWOOHCLTO-UHFFFAOYSA-N 350.403 4.824 5 1 FJBF CCCC(C(=O)OCC[N+](C)(CC)CC)(c1ccccc1)c1ccccc1 5819736 WZNYPLOXSJKIMK-UHFFFAOYSA-N 368.541 4.802 5 1 FJBF O=C(O)c1ccccc1/C=C\c1nc2c3cccnc3c3ncccc3c2[nH]1 586880174 OKMBAFQQSCZBHZ-KTKRTIGZSA-N 366.380 4.528 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1F 586980520 VNLQMTBLZMXBNY-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2cc1[N+](=O)[O-] 587026425 FDEAHQFMQLAFOB-UHFFFAOYSA-N 366.358 4.775 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Cl 587048508 WTHHWVHTOVREAY-DUXPYHPUSA-N 353.687 4.712 5 1 FJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(Cl)c(F)cc12 587631209 IXMHSSJFKPMQGA-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 586881476 GIUGAPSQXWQTDV-UHFFFAOYSA-N 371.396 4.986 5 1 FJBF COc1ccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 587271755 HYTNJLTZGCNOPR-UHFFFAOYSA-N 361.357 4.939 5 1 FJBF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 299813056 PHVLNRZLQDGIAJ-IDCXYZFESA-N 362.429 4.507 5 1 FJBF COc1cccc2c1ccc1c2[nH]c2c(C)cnc(NCCCN(C)C)c21 29321786 HOXYLPAKOSQUCE-UHFFFAOYSA-N 362.477 4.550 5 1 FJBF O=C(O)c1ccccc1/C=C/c1nc2cc3nc4ccccc4nc3cc2[nH]1 586878415 CVCJKWNOLVRKFV-MDZDMXLPSA-N 366.380 4.528 5 1 FJBF CCN(CC)CCCCn1c2ccccc2c(=O)c2c(C)cc(C)cc21 103273149 YCQYFZOXNYALGK-UHFFFAOYSA-N 350.506 4.894 5 1 FJBF C[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587277649 ZMRWXYNDEIFNRA-LBPRGKRZSA-N 357.373 4.583 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587461063 JNQLPQDPQNFYHL-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF Cc1c(-c2nc3c(C)ccc(C)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980018 MWCPBPIFZVRMOL-UHFFFAOYSA-N 360.211 4.826 5 1 FJBF O=C1C[C@H](c2cc(Cl)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587500066 LLEBTGWEXHNDPI-QGZVFWFLSA-N 373.792 4.539 5 1 FJBF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587931148 RAFVYCJHVSXNNX-VOJFVSQTSA-N 357.797 4.578 5 1 FJBF Cc1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1[N+](=O)[O-] 587134900 QMDGCAUESWNJCM-NSCUHMNNSA-N 369.249 4.645 5 1 FJBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587163413 PEPKWSKZHQWTTK-UHFFFAOYSA-N 361.332 4.508 5 1 FJBF CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 13776997 RLDVEPIZIKRKPK-UHFFFAOYSA-N 352.390 4.642 5 1 FJBF CC(=O)Nc1ccc2cc3ccc(NC(=O)c4ccccc4)cc3nc2c1 28712668 BLCUXTGARNRBBR-UHFFFAOYSA-N 355.397 4.599 5 1 FJBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@H]1c1ccccc1 1772647344 ANPAOVBAIMJBDJ-AVRDEDQJSA-N 370.412 4.602 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCS[C@@H](c1ccccc1)c1ccccc1F 28472393 ZDIIEBPKDXMIQO-IBGZPJMESA-N 371.437 4.762 5 1 FJBF COc1cc2c(c(OC)c1)[C@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 40568527 AKTLFPJPLCOONZ-QFIPXVFZSA-N 362.493 4.773 5 1 FJBF Clc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c1 73196008 WYRRPQWTIXERBJ-UHFFFAOYSA-N 372.819 4.965 5 1 FJBF CC[C@@H](C)c1ccc2[nH]c(Cc3cccc([N+](=O)[O-])c3)c(C(=O)OC)c2c1 587642460 MAROADSYHIUAMM-CYBMUJFWSA-N 366.417 4.967 5 1 FJBF Cc1cc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587506038 NXUIWSGSFKUZGW-LJQANCHMSA-N 355.365 4.628 5 1 FJBF O=[N+]([O-])c1ccc(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)o1 1857755733 CGGGYHSJTGXORV-UHFFFAOYSA-N 354.328 4.586 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800504 ISWOZYSXNVNFIH-WOJBJXKFSA-N 358.452 4.841 5 1 FJBF CC1(C)Cc2cnn(-c3ccc([N+](=O)[O-])cc3)c2-c2[nH]c3ccccc3c21 621485949 VIJZKFPXDUJXQW-UHFFFAOYSA-N 358.401 4.763 5 1 FJBF Fc1cccc2c1nc(OCC1CCN(CC(F)F)CC1)c1ccccc12 103248573 QTVZLFQUFMYVSB-UHFFFAOYSA-N 374.406 4.883 5 1 FJBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)C)c4cc3c2c1 6069484 RBRPOEZTVFGXDV-UHFFFAOYSA-N 362.477 4.550 5 1 FJBF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174687 RLABMHIXYIRKJZ-LLVKDONJSA-N 367.409 4.534 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cc1 587274321 ZRICVRFBJPZOSK-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF O=C(c1cc(-c2ccc(Cl)cc2)on1)c1coc2cc([N+](=O)[O-])ccc12 587279784 AQDHXSJFCKZJKH-UHFFFAOYSA-N 368.732 4.880 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)O2 587391369 WFKUCUPZZHFLGA-NRFANRHFSA-N 374.396 4.859 5 1 FJBF COc1cccc(-c2cc(O)cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587933327 MFUIMEACPZAMPQ-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF COc1ccc(-c2oc3ccc4ccccc4c3c(=O)c2OC)cc1OC 96283617 KVQSMEDXRLSCNZ-UHFFFAOYSA-N 362.381 4.639 5 1 FJBF COc1ccc(-c2oc3c(ccc4ccccc43)c(=O)c2OC)cc1OC 96283611 JNZVLQLHSXVIDH-UHFFFAOYSA-N 362.381 4.639 5 1 FJBF Cc1oc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 587268919 NGTOSMFHUVTODG-UHFFFAOYSA-N 361.663 4.592 5 1 FJBF CCn1c2cc(OC(C)=O)ccc2c2ccc3cc(OC(C)=O)ccc3c21 27300305 QOPFICBTBCKMPX-UHFFFAOYSA-N 361.397 4.818 5 1 FJBF CCc1ccc(-c2nc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cs2)cc1 587015979 MCCOXYCHBWGQPS-UHFFFAOYSA-N 368.393 4.963 5 1 FJBF O=[N+]([O-])c1c(Br)ccc2nc(CC3CCCCCC3)[nH]c12 587961853 ZPINGIJTUMEZJY-UHFFFAOYSA-N 352.232 4.747 5 1 FJBF COc1c(F)ccc(F)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587132621 FXUVCIORTVXDBN-UHFFFAOYSA-N 362.339 4.613 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 586972598 ISVNLZNNKXYBEN-UHFFFAOYSA-N 372.406 4.794 5 1 FJBF COc1ccc2c(ccc3[nH]c4c(C)cnc(NCCCN(C)C)c4c32)c1 1639364 YDJMNPZCCPMRPI-UHFFFAOYSA-N 362.477 4.550 5 1 FJBF Brc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)o1 587007451 YLSIYTIKCFJZOS-UHFFFAOYSA-N 365.190 4.682 5 1 FJBF O=[N+]([O-])c1cc2nc(CCCCCCCCCCCO)[nH]c2cc1F 586894706 RLCASHKILAIWNL-UHFFFAOYSA-N 351.422 4.656 5 1 FJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)s1 587644844 DHZKFVJEMIWYPA-UHFFFAOYSA-N 354.309 4.696 5 1 FJBF O=[N+]([O-])c1cc(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587960067 KEYZEKCCFMLAKL-AAEUAGOBSA-N 372.222 4.580 5 1 FJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cccc(C(C)(C)C)c3[nH]2)c1 587262136 NNACBYKYRXBCJF-UHFFFAOYSA-N 353.422 4.699 5 1 FJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3ccccc3F)c2n1 1772596658 DAKGPRZBPJWQTN-UHFFFAOYSA-N 353.784 4.750 5 1 FJBF O=[N+]([O-])c1ccc(-c2nnc(C34CC5CC(CC(C5)C3)C4)o2)c(Cl)c1 28654824 NJYRMRHSUAGMME-UHFFFAOYSA-N 359.813 4.766 5 1 FJBF N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1cccc2ccccc12 587259551 VKYZUXRIJIOIHR-HNNXBMFYSA-N 366.808 4.520 5 1 FJBF CC(C)Oc1ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2c1 587269065 JRKZFRZUZDZHFG-UHFFFAOYSA-N 366.421 4.526 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 28825404 LPXIRSSTWSVBRH-YOFSQIOKSA-N 371.526 4.661 5 1 FJBF C[C@H]1CCC[C@@H](C)[N@+]1(C)C[C@H](O)COC(c1ccccc1)c1ccccc1 253636959 YAKRIFUJVRPBPI-OKHDYOJBSA-N 368.541 4.561 5 1 FJBF O=[N+]([O-])c1cccc(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587270264 KZEWMDNBIMYYCM-UHFFFAOYSA-N 373.412 4.835 5 1 FJBF COc1cccc(S(=O)(=O)Oc2c3ccccc3cc3ccccc23)c1 28826807 YJAFFQFGYQYJJQ-UHFFFAOYSA-N 364.422 4.769 5 1 FJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 586881814 YLDISZOLHSQIBX-UHFFFAOYSA-N 373.368 4.812 5 1 FJBF Cc1cc(Cl)ccc1OCCCc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587065947 GALOLYDXULNBRX-UHFFFAOYSA-N 363.776 4.584 5 1 FJBF Cc1cc(N(C)Cc2nc3ccc(Cl)c(C)c3[nH]2)c([N+](=O)[O-])cc1F 587137190 SGQXPOJKKQPBOL-UHFFFAOYSA-N 362.792 4.517 5 1 FJBF CCc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 586980350 VVDDRQQMJWACKC-UHFFFAOYSA-N 360.211 4.771 5 1 FJBF O=C1C[C@H](c2ccc(Cl)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587498713 GDEZDGAWALSQJF-GOSISDBHSA-N 357.793 4.834 5 1 FJBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587270782 UMFBGANRVDINEY-UHFFFAOYSA-N 369.730 4.929 5 1 FJBF COc1cc2c(oc(=O)c3c4occc4cc(OC)c23)c2cccc(O)c12 1633429 GZMUMQPGRQFPMK-UHFFFAOYSA-N 362.337 4.568 5 1 FJBF O=C(O)c1ccccc1Nc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 84706790 WNQBSZVNRGCKGJ-UHFFFAOYSA-N 364.357 4.616 5 1 FJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)cc(Cl)c3[nH]2)c1 587262018 KZWAULLOCDWAMZ-UHFFFAOYSA-N 366.204 4.708 5 1 FJBF CC[C@@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163790 CJMAWUMEROZQRF-LLVKDONJSA-N 367.409 4.534 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2cc1Cl 587085554 ZLFUZDMJJHVJMA-UHFFFAOYSA-N 359.172 4.993 5 1 FJBF CC(=O)Nc1ccccc1-c1cn2c3ccccc3c3cccc(c1=O)c32 1857771313 JKKHRBRKPOQSQI-UHFFFAOYSA-N 352.393 4.669 5 1 FJBF C[C@]12CCC=C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 13830276 GKUXPEUVWFIVKU-VWPQPMDRSA-N 362.429 4.651 5 1 FJBF CCCN1CCc2c(c3cc(OC)ccc3c3c(OC)c(OC)ccc23)C1 95579213 IIWZKANXZUBPOV-UHFFFAOYSA-N 365.473 4.787 5 1 FJBF Cc1nc2oc3ccccc3c(=O)c2cc1-c1cc2c3c(cccc3n1)CC2 587212651 PMSQAJLAJOMJBZ-UHFFFAOYSA-N 364.404 4.963 5 1 FJBF C(=C\c1ccccc1)\COCc1nc2c3cccnc3c3ncccc3c2[nH]1 587781323 SWNTXYWVVAHIHT-TWGQIWQCSA-N 366.424 4.889 5 1 FJBF CCc1cc2c3nc4ccc(Br)cc4c-3ccn2nc1CC 377453212 LAOWZNSUPOKZHZ-UHFFFAOYSA-N 354.251 4.875 5 1 FJBF Cc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512134 UPLNXJQZBZPOQA-NRFANRHFSA-N 351.402 4.663 5 1 FJBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@@H]2C=C[C@@H]3CCC2)c2ccccc12 169718572 VQRZUXKMLXQVAW-STQMWFEESA-N 362.385 4.871 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587124819 MBVYYKCQFPBWER-ZZXKWVIFSA-N 366.324 4.648 5 1 FJBF CN(C)c1ccc(N2C(=O)c3cccc4cc5ccccc5c(c34)C2=O)cc1 27861681 KEJHKWGPVLQSFU-UHFFFAOYSA-N 366.420 4.860 5 1 FJBF Cc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 653700521 SABOXPBPADHVDG-UHFFFAOYSA-N 350.205 4.916 5 1 FJBF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc([N+](=O)[O-])c12 587645127 WUXSXLLHAWXMKA-UHFFFAOYSA-N 365.172 4.677 5 1 FJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587646278 MUVCRDHXZWPUDO-UHFFFAOYSA-N 365.267 4.979 5 1 FJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1C 587644753 BPGBGMDFLCDDDW-UHFFFAOYSA-N 362.307 4.943 5 1 FJBF O=c1c2ccc(Cn3ccnc3)cc2oc2cc(Oc3ccccc3)ccc12 1857763544 NXONZYGKHOEADF-UHFFFAOYSA-N 368.392 4.983 5 1 FJBF CCCOC(=O)CCCCCN=c1c2ccccc2[nH]c2ccccc12 2382245570 XPQWWHZLTUIEBL-UHFFFAOYSA-N 350.462 4.735 5 1 FJBF CN(C)CC(C)(C)CNc1c2nc3ccccc3c-2n(C)c2ccccc12 169729281 IHADLJDCDQSGNL-UHFFFAOYSA-N 360.505 4.831 5 1 FJBF Cc1cc(C)cc([C@@H](OCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 29337935 BJJJSGQJKQBNMT-NRFANRHFSA-N 365.433 4.523 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(Br)cc3[nH]2)c1F 587139269 FICYPZJPVWZDTI-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 587242358 RAXVMTFANJDISR-UHFFFAOYSA-N 352.394 4.513 5 1 FJBF CC(C)n1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O 5835633 BUQFPJLZYIYRHD-UHFFFAOYSA-N 367.408 4.894 5 1 FJBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c(C)cc(Cl)cc12 587627017 LSOJZKUBFKPNGA-UHFFFAOYSA-N 358.781 4.882 5 1 FJBF COc1ccc(-c2csc3c2[N@+]2(C)C=CC=C2[C@@H]3N2CCCC2)cc1 254073912 AOMXUERMDCAJHH-WMZHIEFXSA-N 351.495 4.923 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)O2 587388878 HDCJOQUOKLUSJO-NRFANRHFSA-N 374.396 4.859 5 1 FJBF COc1ccc2c3c(c4cc(OC)c(O)cc4c2c1)CN1CCCC[C@H]1C3 13378558 HIIPBPYYJOYQBL-AWEZNQCLSA-N 363.457 4.626 5 1 FJBF biogenic,in-vitro Cc1ccc(-c2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)o1 586905077 GIWAFLOEKNOBRW-UHFFFAOYSA-N 364.317 4.615 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cnc3ccccc3c2[nH]1 587109712 MLKSABLLHVAMDL-UHFFFAOYSA-N 372.306 4.629 5 1 FJBF COc1ccc(N=c2c3ccc(Cl)cc3[nH]c3ccc(OC)nc23)cc1 1772589258 BYWPPSCTQYQDLB-UHFFFAOYSA-N 365.820 4.619 5 1 FJBF O=C(c1ccc(Oc2ccccc2)nc1)c1coc2cc([N+](=O)[O-])ccc12 587279954 WFGZYCJNCUCHOB-UHFFFAOYSA-N 360.325 4.759 5 1 FJBF Cc1sc2ccccc2c1C(=O)c1ccc(OCCC[N+](C)(C)C)cc1 1857537133 UFIQJARLKXIASU-UHFFFAOYSA-N 368.522 4.916 5 1 FJBF CCN(CC)CCCNc1c2nc3ccccc3c-2n(C)c2ccccc12 169721010 ZZJAVOCEFOYZJS-UHFFFAOYSA-N 360.505 4.975 5 1 FJBF Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1[N+](=O)[O-] 587105345 ZAWZGMJZFAIBPD-UHFFFAOYSA-N 367.364 4.604 5 1 FJBF C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+](=O)[O-])ccc2o1 13674383 OTJGDICFOHRMDU-CQSZACIVSA-N 366.421 4.506 5 1 FJBF COc1c(O)ccc2c1oc(=O)c1c3cc(CC=C(C)C)c(O)cc3oc21 14819191 HTBLUBGREJMDMP-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic O=[N+]([O-])c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Cl 587022212 WABAYZBNWAAUPU-UHFFFAOYSA-N 370.821 4.839 5 1 FJBF O=[N+]([O-])c1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137905 RRIVWXPBFCOWET-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF O=c1c2ccccc2nc2c3c(-c4ccc(Cl)cc4)csc3ncn12 45353832 QYRNIOHHTWQPLF-UHFFFAOYSA-N 363.829 4.778 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164763 WKLXEDWUHOYWCU-JYRVWZFOSA-N 366.377 4.656 5 1 FJBF Cn1c2c3cc(Br)cc([N+](=O)[O-])c3nc-2cc2ccccc21 138270313 QRKBKAALGQEIGT-UHFFFAOYSA-N 356.179 4.502 5 1 FJBF [O-][n+]1ccccc1SCc1nc2c3ccccc3c3ccccc3c2[nH]1 586969511 UMMICMWNTJKNAZ-UHFFFAOYSA-N 357.438 4.795 5 1 FJBF O=c1c2c(F)c(F)c(F)c(F)c2sc2nc3cccc4cccc(c43)n12 1644515 FCZWHJVDSRONKF-UHFFFAOYSA-N 374.318 4.772 5 1 FJBF CCSC[C@@](C)(OC)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1 28820633 MMBJDFVYGZBGLN-CQSZACIVSA-N 362.373 4.710 5 1 FJBF O=C(O)c1ccc2c(c1)nc(Oc1cccc(Cl)c1)c1ccncc12 73219188 PMIJZUTXMUIHNA-UHFFFAOYSA-N 350.761 4.927 5 1 FJBF Cn1c2ccccc2c2c(NCCCCN)c3cc(Cl)ccc3nc21 84689395 AUUOHHGKFRILPH-UHFFFAOYSA-N 352.869 4.684 5 1 FJBF C[C@@H](Oc1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587168822 NPMBVWPHTHCFPM-GFCCVEGCSA-N 358.376 4.938 5 1 FJBF CCOC(=O)C1=C(C)Nc2ccccc2S[C@@H]1c1ccc([N+](=O)[O-])cc1 43022186 BHCJLENBTHHBJK-GOSISDBHSA-N 370.430 4.691 5 1 FJBF CC[C@@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](CC)c1ccc([N+](=O)[O-])c(O)c1 27656216 SKSJXRNTISGENT-KBPBESRZSA-N 360.366 4.602 5 1 FJBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C[N+](=O)[O-])C3)c1 587363565 UFOZQOONQMFESG-CYBMUJFWSA-N 374.396 4.648 5 1 FJBF O=[N+]([O-])c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587044216 RZZYIGUFRNYPIW-UHFFFAOYSA-N 373.459 4.529 5 1 FJBF COc1ccc(-c2ccc3c(c2)[nH]c2c(=O)oc4ccc(O)cc4c23)cc1 73197377 JLKODQSRKZDLLW-UHFFFAOYSA-N 357.365 4.809 5 1 FJBF COc1cc2cc3c4c(ccn3C)cc(OC)c(OC)c4c2cc1OC 196887258 XTZOEAMYNLFKGH-UHFFFAOYSA-N 351.402 4.519 5 1 FJBF COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)c2coc3ccccc23)o1 587280459 FZKMINPETCUOLU-UHFFFAOYSA-N 363.325 4.841 5 1 FJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152143 GNQCCPIYKSBVEZ-SFTDATJTSA-N 365.497 4.600 5 1 FJBF Cc1cc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c2cc1[N+](=O)[O-] 587246553 CBTKDKMJPJXBMK-UHFFFAOYSA-N 372.384 4.699 5 1 FJBF CN(C)CCc1c2nc3ccccc3c3ccn(C)c(c4ncsc14)c23 13436818 DHJAYKPONPUPJR-UHFFFAOYSA-N 360.486 4.594 5 1 FJBF biogenic Cc1ccc(S(=O)(=O)c2cc(O)c3cc4ccccc4cc3c2O)cc1 40835989 DKOISANXNBXJMG-UHFFFAOYSA-N 364.422 4.545 5 1 FJBF in-vivo Cc1cccc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1C 587564463 SDBDEEPBKHQGQE-UHFFFAOYSA-N 354.413 4.855 5 1 FJBF Cc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1C 586979655 HNJQAJDMOXNYGH-UHFFFAOYSA-N 360.211 4.826 5 1 FJBF O=C(Cc1ccc(Br)cc1)c1coc2cc([N+](=O)[O-])ccc12 587279582 MIXBWCVWIZIYEZ-UHFFFAOYSA-N 360.163 4.529 5 1 FJBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587645333 QMKAAYFBDQVYNU-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF COc1ccccc1-c1ccc(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cc1 587931792 MYWZMJVTOHWPQO-UHFFFAOYSA-N 363.348 4.953 5 1 FJBF CC1(C)[C@@H]2CCC[C@@]1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64560198 FFSCPZBJYXHNHZ-LDJQZATESA-N 365.452 4.842 5 1 FJBF CN(c1cccc(Cl)c1)c1nc2cc(C(=O)O)ccc2c2cnccc12 73224025 AJHIBRVOSKJYNP-UHFFFAOYSA-N 363.804 4.903 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587075343 BODIGWGEWXPBJN-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C[N+](=O)[O-])C3)c1 587363567 UFOZQOONQMFESG-ZDUSSCGKSA-N 374.396 4.648 5 1 FJBF O=[N+]([O-])c1ccccc1[C@@H]1c2ccccc2CCN1CCOc1ccccc1 40395334 KPPMUOJFHASOQF-QHCPKHFHSA-N 374.440 4.621 5 1 FJBF CNC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 73169811 CQZYFTGZTQNFBI-UHFFFAOYSA-N 362.820 4.540 5 1 FJBF Cc1cc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587506037 NXUIWSGSFKUZGW-IBGZPJMESA-N 355.365 4.628 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3ccc4ncccc4c3[nH]2)ccc1Cl 587047145 CRBJZOWTMQDWNA-XBXARRHUSA-N 350.765 4.843 5 1 FJBF C[C@]1(CCc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587510331 ADLYRXJGWHXBPX-QFIPXVFZSA-N 365.429 4.830 5 1 FJBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511468 QBHGQFRGRVUBLJ-OAQYLSRUSA-N 351.402 4.663 5 1 FJBF C[C@@H](N1Cc2c(cccc2[N+](=O)[O-])C1=S)C12CC3CC(CC(C3)C1)C2 1857642368 DABVDAXPQFUZHE-JSFDKUKPSA-N 356.491 4.691 5 1 FJBF CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])c(NC3CCCC3)n2)cc1 64475128 FNHDQQFEDPBRHK-UHFFFAOYSA-N 355.442 4.780 5 1 FJBF C[N+]1(C)[C@H]2CCC[C@@H]1C[C@H](CC(O)(c1cccs1)c1cccs1)C2 103235732 ZQGJDJOWXQLEHY-BJWYYQGGSA-N 362.584 4.843 5 1 FJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3cccs3)oc12 2382223091 CMWVVGFRRJMPAE-UHFFFAOYSA-N 368.410 4.701 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc5ncccc5c4[nH]3)c2)c1 587270945 XUBKHONPQREADY-UHFFFAOYSA-N 367.368 4.748 5 1 FJBF O=[N+]([O-])c1ccc(-c2nnc(SCc3cccc(Cl)c3)s2)o1 103276027 OWMHOLBPGJETSF-UHFFFAOYSA-N 353.812 4.652 5 1 FJBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cccc(F)c12 587632031 BCAXWLWZHISQDX-UHFFFAOYSA-N 365.158 4.659 5 1 FJBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cccc1[N+](=O)[O-] 587260957 MQRPBCVSCVTODB-UHFFFAOYSA-N 355.357 4.543 5 1 FJBF O=C1C[C@@H](c2cc(Cl)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587499458 JLKJHPFVIVBDEB-SFHVURJKSA-N 357.793 4.834 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc1 587272492 MMVDVWWNPXFCSB-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF CCN(CC)CCCNc1nncc2c(C)c3[nH]c4ccccc4c3cc12 33917220 DPSAFBWNJULEAR-UHFFFAOYSA-N 361.493 4.717 5 1 FJBF CC[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(OC)cc1)n1ccnc1 28240035 GSZYHKDDFOVVFV-VQTJNVASSA-N 351.406 4.583 5 1 FJBF O=[N+]([O-])c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195099 BQGLOGWPPMJRFZ-UHFFFAOYSA-N 358.401 4.678 5 1 FJBF O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 13588873 PJWWFTRGEFUNAD-UHFFFAOYSA-N 365.172 4.603 5 1 FJBF CN(C)CCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21 1625570 ISNSSJLDMFOJBP-UHFFFAOYSA-N 356.425 4.616 5 1 FJBF Cc1cc2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2cc1[N+](=O)[O-] 587195692 HNFAAGXLDSNFEY-UHFFFAOYSA-N 372.428 4.986 5 1 FJBF COc1ccc2c(oc3c4c(O)cc(O)cc4oc(=O)c23)c1CC=C(C)C 14819187 UZXYJCDGZYNGGZ-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic CCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174029 UFSOUYGNOHSHMG-UHFFFAOYSA-N 367.409 4.536 5 1 FJBF C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc([N+](=O)[O-])cn3)ccc2o1 13674381 CLRNGUTYLHJBAW-CQSZACIVSA-N 366.421 4.506 5 1 FJBF O=c1c2ccccc2c(C(=S)Nc2ccccc2)c2[nH]c3ccccc3n12 101678059 ONKAUACIQAWUMC-UHFFFAOYSA-N 369.449 4.722 5 1 FJBF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)s1 587645546 YPUOXRXPWHEUET-UHFFFAOYSA-N 368.336 4.950 5 1 FJBF O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 13588871 YTXZWIOUWVRTFN-UHFFFAOYSA-N 365.172 4.603 5 1 FJBF COc1cc2c(c3c1c(=O)c1ccccc1n3C)C=CC1(CCCCC1)O2 5579994 QIJXGSALJLRUPX-UHFFFAOYSA-N 361.441 4.809 5 1 FJBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccc(Cl)cc2Cl)N1 103162005 JBYZXOKQNKPBRV-OAHLLOKOSA-N 364.188 4.545 5 1 FJBF CN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1 28640674 OTLLABLRJBVBHD-UHFFFAOYSA-N 373.452 4.847 5 1 FJBF in-vivo CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1 587081253 YMCBNGNELNXGRR-ZETCQYMHSA-N 354.197 4.612 5 1 FJBF O=C1C[C@@H](c2cc3c([N+](=O)[O-])cccc3cn2)Oc2c1ccc1c2CCCC1 587512138 LJWKCOJYUVPCNV-NRFANRHFSA-N 374.396 4.728 5 1 FJBF O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587646551 UNSDZGAPQJTHCQ-UHFFFAOYSA-N 374.387 4.992 5 1 FJBF C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3c(c2)CCO3)CC1 13817973 XHKYPQJDZKCEOF-UHFFFAOYSA-N 364.509 4.641 5 1 FJBF O=C1CCC(c2ccccc2)(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC1 587970854 NOJZMCAAWLLRBZ-UHFFFAOYSA-N 369.808 4.554 5 1 FJBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)oc2c1[C@@H](O)CCC2 586903188 HMCJOVCIWBARKN-AWEZNQCLSA-N 370.412 4.597 5 1 FJBF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)c(C)o1 587645355 RRXREJUCYXJANE-UHFFFAOYSA-N 352.268 4.536 5 1 FJBF O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])[N@@]1C1CCCCC1 1857623776 OFIHBIHVNYDAGB-RZUBCFFCSA-N 350.418 4.536 5 1 FJBF COc1cc(O)ccc1N=c1c2ccccc2[nH]c2c1[nH]c1ccccc12 473152691 VHZOVNMKBIGOQG-UHFFFAOYSA-N 355.397 4.749 5 1 FJBF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c3ccccc3c3ccccc3c2[nH]1 587094746 UWEHJELDAIBZGO-LLVKDONJSA-N 371.362 4.999 5 1 FJBF FC(F)(F)c1cncc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587115228 JTYCHLMNEWKHDZ-UHFFFAOYSA-N 365.318 4.740 5 1 FJBF N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccccc1Cl 587055365 BBZZUGYBUOHGHH-AWEZNQCLSA-N 373.847 4.555 5 1 FJBF O=[N+]([O-])c1ccc2nc(-c3ccccc3)[nH]c(=Nc3cccc(F)c3)c2c1 1857629800 HKFMMGIVIGHLPW-UHFFFAOYSA-N 360.348 4.510 5 1 FJBF CCN(CC)CCCNc1c2ccccc2[n+](C)c2c1oc1ccccc12 101630823 IGWITCNLTQAOFK-UHFFFAOYSA-O 362.497 4.708 5 1 FJBF FC(F)(F)c1cncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587115200 HZAJNEPECGOCRY-UHFFFAOYSA-N 365.318 4.740 5 1 FJBF C[C@H](N1Cc2c(cccc2[N+](=O)[O-])C1=S)C12CC3CC(CC(C3)C1)C2 1857642369 DABVDAXPQFUZHE-PGBBXINNSA-N 356.491 4.691 5 1 FJBF CN1C(=O)c2c(c3c4cc(O)ccc4[nH]c3c3cc4ccccc4cc23)C1=O 28478112 DMLNYHKGABSFIK-UHFFFAOYSA-N 366.376 4.559 5 1 FJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 962943302 GOQQQZKUSNJANP-ADLMAVQZSA-N 355.825 4.743 5 1 FJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc4ccccc4cc3[nH]2)c1 587269784 PXSLITCVRQJFNP-UHFFFAOYSA-N 358.401 4.892 5 1 FJBF CCCCOC(=O)c1cccc2nc3cc(N)c(OCCCC)cc3nc12 103223439 PQETYAHVTUFZLM-UHFFFAOYSA-N 367.449 4.501 5 1 FJBF CCc1ccc(-c2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)cs2)cc1 587016029 NOIGIGGZNYUUPH-UHFFFAOYSA-N 350.403 4.824 5 1 FJBF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644814 PAVVWKIBXTUTOC-UHFFFAOYSA-N 358.781 4.759 5 1 FJBF O=[N+]([O-])c1ccc2c(CC3OCCCO3)c(-c3cccc(Cl)c3)[nH]c2c1 587644448 DFVPFMGMDZUVJS-UHFFFAOYSA-N 372.808 4.702 5 1 FJBF CCOc1ccccc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587780816 JGQZYEDIVWNMBV-UHFFFAOYSA-N 370.412 4.637 5 1 FJBF COc1cc2nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c2cc1Cl 587138879 AEAKBFICEFYURO-UHFFFAOYSA-N 356.140 4.593 5 1 FJBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 587158572 OMLOTLAXZANNHP-UHFFFAOYSA-N 361.332 4.757 5 1 FJBF O=C(c1cc(F)ccc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280311 SCCNNISDZNCILX-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF O=C(NCc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])o1 1857555182 GGXXIRWNHWUGCK-UHFFFAOYSA-N 372.764 4.564 5 1 FJBF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587111750 AWBSFNMMBUZLFA-SECBINFHSA-N 367.302 4.975 5 1 FJBF Cc1cc2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2cc1[N+](=O)[O-] 587241331 BFCNMKDIGXRXIN-UHFFFAOYSA-N 366.421 4.821 5 1 FJBF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587509820 JPNJXVUFICJXIH-FQEVSTJZSA-N 367.401 4.579 5 1 FJBF O[C@H](c1cc(C(F)(F)F)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 27524090 NXVWKSOWLLYBBO-QFBILLFUSA-N 360.379 4.582 5 1 FJBF COc1cccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c12 587272564 VKKSACPBBBKWCI-UHFFFAOYSA-N 361.357 4.939 5 1 FJBF CCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C 198565559 ABVVZYXTZLEOHP-OLHLWXQYSA-O 370.554 4.556 5 1 FJBF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc([N+](=O)[O-])cc1)O2 587388872 HCIPAYMGEGCEMR-OAQYLSRUSA-N 374.396 4.859 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccccc1Cl 13473021 ZHHNIYKZKGRHDG-LJQANCHMSA-N 371.824 4.559 5 1 FJBF CS(=O)(=O)c1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1 586924906 CGNLJCHLFMRTMN-UHFFFAOYSA-N 372.449 4.940 5 1 FJBF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586885752 DDXQDBBTVAISCW-PEBXRYMYSA-N 368.440 4.805 5 1 FJBF OCCn1cc(-c2cc3cccc4c5cccc6cccc(c(c2)c34)c65)nn1 1857640075 QTOQJNSROPDBRB-UHFFFAOYSA-N 363.420 4.988 5 1 FJBF O=c1c2ccccc2oc2ccc(OCCCCCN3CCCCC3)cc12 2382227205 HIDZMCKONDQZSV-UHFFFAOYSA-N 365.473 4.981 5 1 FJBF CN(C)CCCn1c2ccccc2c2sc3cc(Cl)ccc3c(=O)c21 42920186 BYPHXVMORDJPDV-UHFFFAOYSA-N 370.905 4.975 5 1 FJBF O[C@@H](c1cc(C(F)(F)F)nc2c1ccc1ccccc12)[C@H]1CCCCN1 27524093 NXVWKSOWLLYBBO-APWZRJJASA-N 360.379 4.582 5 1 FJBF CCN(CC)CCn1cc2c([N+](=O)[O-])ccc3oc4ccccc4c1c32 40568262 RSCNEEBNSGJUAU-UHFFFAOYSA-N 351.406 4.791 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)cc1 587271994 MUJTUVISPSWNMU-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587070698 UJTVFTVKEHDPRY-VIFPVBQESA-N 361.760 4.640 5 1 FJBF Fc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)c(F)c1 73157218 GESRYDOMZCMGNO-UHFFFAOYSA-N 374.354 4.590 5 1 FJBF Cc1ccc2c(=O)c3cccc(CC(=O)Nc4ccccc4)c3oc2c1C 103299270 ZLLMZQIZMHAHKI-UHFFFAOYSA-N 357.409 4.744 5 1 FJBF O=[N+]([O-])c1cc(Br)ccc1Cc1cc2c3c(cccc3n1)CC2 587206872 AERFXCGUQZQSRZ-UHFFFAOYSA-N 369.218 4.595 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(F)cc3)c(Sc3nncs3)c12 587645865 MXMMGOQRVOLPIU-UHFFFAOYSA-N 372.406 4.885 5 1 FJBF O=C(O)c1ccc2c(c1)nc(NCCCc1ccccc1)c1ccncc12 66112502 MQGOUXWJBHWTTJ-UHFFFAOYSA-N 357.413 4.526 5 1 FJBF Cc1cc2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2cc1[N+](=O)[O-] 587070716 VNQFJZIMKLAQRR-LLVKDONJSA-N 357.797 4.809 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc([N+](=O)[O-])ccc3o1)CC2=O 587471441 QGCYRBLKUQGAAU-LJQANCHMSA-N 367.357 4.706 5 1 FJBF COc1cc2c3c(cc4ccccc4c3c1OC)N(Cc1ccncc1)C2=O 40420516 OCYSHZDSYODSQX-UHFFFAOYSA-N 370.408 4.566 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3cc(F)cnc3[nH]2)cc([N+](=O)[O-])c1 587135701 MWXJTEUWBMSDGO-UHFFFAOYSA-N 366.327 4.787 5 1 FJBF C[C@@]12CCC=C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 13830274 GKUXPEUVWFIVKU-TUNNFDKTSA-N 362.429 4.651 5 1 FJBF Cc1ccc([C@@H](C)[C@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586885766 DENJIFNPBHKALY-PEBXRYMYSA-N 368.440 4.805 5 1 FJBF c1ccc2nc3cc4[nH]c(C[C@H]5OCCc6ccsc65)nc4cc3nc2c1 587035874 VIMDOYWQQLJTCE-LJQANCHMSA-N 372.453 4.577 5 1 FJBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4ccccc4OC[C@@H]23)c1 5823941 POMPFSPBIKPLIR-SIKLNZKXSA-N 371.396 4.569 5 1 FJBF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1 587642800 OTYXSBIEYSWIEO-QKVFXAPYSA-N 368.433 4.988 5 1 FJBF CCCN(CCC)c1nc(O)c2c(n1)c(O)cc1c3ccccc3oc12 653699949 WENUXIPUPNDUOV-UHFFFAOYSA-N 351.406 4.567 5 1 FJBF CCC(C)(C)c1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586882002 QCBQZTUKTFVQEU-UHFFFAOYSA-N 354.366 4.734 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)cc1 587271735 HTWOYUSVLCFOLY-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF Cc1cc([N+](=O)[O-])ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510407 ALOBYGVWWUIBJK-NRFANRHFSA-N 351.402 4.663 5 1 FJBF O=[N+]([O-])c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196905 YWAPLKSAINGVBN-UHFFFAOYSA-N 358.401 4.678 5 1 FJBF COc1ccc2ccc3c4ccccc4c(NCCCN(C)C)nc3c2c1 27185508 RQXLHVWHLHEYNX-UHFFFAOYSA-N 359.473 4.913 5 1 FJBF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 587261655 FKKDTZAOSJGWAW-UHFFFAOYSA-N 366.204 4.708 5 1 FJBF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646119 KHIIXIALDKUMJV-UHFFFAOYSA-N 362.307 4.829 5 1 FJBF O=[N+]([O-])c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)o1 33488228 GLZYBJDGQSTIRD-UHFFFAOYSA-N 353.812 4.652 5 1 FJBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587246577 CLBQOXAVEXFRCG-UHFFFAOYSA-N 374.400 4.886 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)C[C@H]2CCCC[C@H]2C4)cc1 34600269 DPDQMVYTRKLCKF-UONOGXRCSA-N 353.447 4.876 5 1 FJBF Cc1cc(O)c2oc3c(oc2c1)c(O)cc1oc2c(O)cc(O)cc2oc13 238764145 AXMFNNPIGXRUDM-UHFFFAOYSA-N 368.297 4.927 5 1 FJBF Cc1cccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)c1 96270204 JOJCLYLKLVXDAU-UHFFFAOYSA-N 353.447 4.562 5 1 FJBF Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152236 FPBBKOFNQVUXDJ-PMOLBWCYSA-N 369.485 4.501 5 1 FJBF CCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(C)c2ccc(C)cc12 40420316 KESLCWNXHBZFLX-UHFFFAOYSA-N 372.472 4.621 5 1 FJBF CCc1c(C(=O)OCCc2ccc([N+](=O)[O-])cc2)[nH]c2ccc(Cl)cc12 84712936 UNNJLUGSPSGKPK-UHFFFAOYSA-N 372.808 4.691 5 1 FJBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@@H]3CCC(C)(C)[N+]3(C)C)[C@@H]12 101012180 QWECGXAFJUBHNJ-ZAEGHLNZSA-N 358.546 4.628 5 1 FJBF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccccc1[N+](=O)[O-])CC2=O 587468083 ANWPFCMOQJGQPE-NRFANRHFSA-N 369.417 4.610 5 1 FJBF COc1ccc2nc3c(c(-c4ccccc4)c2n1)c(=O)oc1ccccc13 1857558275 QOAHDKRHKVMRKC-UHFFFAOYSA-N 354.365 4.565 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 28825416 PNLHOADYGQJVLG-YOFSQIOKSA-N 371.526 4.661 5 1 FJBF CCC[C@H]1CC(=O)Oc2c1c1c(c3oc([N+](=O)[O-])cc23)C=CC(C)(C)O1 169342984 GNMDNNXZYYOPKP-JTQLQIEISA-N 357.362 4.718 5 1 FJBF O=C1C[C@H](c2ccc([N+](=O)[O-])c(Cl)c2)Oc2c1ccc1c2CCCC1 587505819 LSAZNVBGLXWAMV-GOSISDBHSA-N 357.793 4.834 5 1 FJBF OCCN(C[C@@H](O)c1cc2ccccc2c2ccccc12)C1CCCCC1 169338087 LVHPRSGUFSGBTF-XMMPIXPASA-N 363.501 4.653 5 1 FJBF Cc1ccc(CSCCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 586971036 RTMBBHFZMKRTLI-UHFFFAOYSA-N 361.854 4.909 5 1 FJBF COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 36184618 ZZKRLARTJDHWDQ-QFIPXVFZSA-N 362.493 4.773 5 1 FJBF Oc1cccc(CCCCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 586896286 OJBLBGDJBXGCGI-UHFFFAOYSA-N 368.440 4.930 5 1 FJBF C[C@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)n1cc([N+](=O)[O-])cn1 587277647 ZMRWXYNDEIFNRA-GFCCVEGCSA-N 357.373 4.583 5 1 FJBF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587649083 PFKCHAPSHRTHEF-INIZCTEOSA-N 359.426 4.847 5 1 FJBF CCN(CC)CCCCn1c2cc(=O)c3ccccc3c-2nc2ccccc21 206607323 HPWZGXSVLCBYNJ-UHFFFAOYSA-N 373.500 4.777 5 1 FJBF COc1ccc([C@@H](c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 587938710 ZDPWDYDRAPYLJJ-HXUWFJFHSA-N 359.385 4.660 5 1 FJBF Cc1cc(Cl)cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587268709 BYGDSCRWNVZGES-UHFFFAOYSA-N 356.813 4.700 5 1 FJBF CC[C@@]1(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC(=O)c2ccccc2C1 587962660 YSAWHFFJPOWABM-NRFANRHFSA-N 363.417 4.548 5 1 FJBF Cc1cc(C)cc(OCc2nc3c4cccnc4c4ncccc4c3[nH]2)c1 587565003 STINZMPFXXTDKI-UHFFFAOYSA-N 354.413 4.855 5 1 FJBF Cc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1F 586979717 IPILEWHTSPEWCI-UHFFFAOYSA-N 364.174 4.657 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2c1 587128406 MSOZUIDVVPFBQQ-UHFFFAOYSA-N 373.344 4.594 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc([N+](=O)[O-])c1)CC2=O 587463631 WKYYKXDBQACLTL-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)cc1 602427 QTNUWEKKZHSUQO-UHFFFAOYSA-N 371.352 4.570 5 1 FJBF in-vivo C[C@]12CCC=C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 36388140 GKUXPEUVWFIVKU-ONTIZHBOSA-N 362.429 4.651 5 1 FJBF Cc1cnc(Cl)c2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc12 587270969 YLEQPCSDGRLOGD-UHFFFAOYSA-N 365.780 4.557 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Cl 587161328 PMVSKHNFNATAQG-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF Cc1ccc2c(ccc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c32)n1 587140327 ZFHMCENEAQVVJE-UHFFFAOYSA-N 356.744 4.787 5 1 FJBF O=c1c2cccc3c(Nc4ccccn4)ccc(c32)c2nc3ccccc3n12 96934437 RDXUAMGWSPKDNF-UHFFFAOYSA-N 362.392 4.731 5 1 FJBF CCc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507077 ACDDUNPXCGAEAE-HXUWFJFHSA-N 351.402 4.743 5 1 FJBF COc1ccc(Cn2c(=O)c(OC)c(C)c3cc4ccccc4cc32)cc1 1863585 FNTGNQFZDRAANF-UHFFFAOYSA-N 359.425 4.529 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587462388 YWNXVOPJQBFBRK-MRXNPFEDSA-N 361.781 4.613 5 1 FJBF O=C1C[C@@H](c2c(Cl)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587503868 HBMSDETVYIHLTL-KRWDZBQOSA-N 357.793 4.834 5 1 FJBF Cc1cc2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc2cc1[N+](=O)[O-] 587049586 RKELIYYSNZOENW-UHFFFAOYSA-N 372.812 4.694 5 1 FJBF O=C1C[C@H](c2c[nH]c3c([N+](=O)[O-])cccc23)Oc2c1ccc1c2CCCC1 587514362 XETBLZCYGSWNFA-LJQANCHMSA-N 362.385 4.661 5 1 FJBF COc1cccc(-c2cc(F)cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587160436 RPTRUGMUFPCDOT-UHFFFAOYSA-N 363.348 4.953 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(ccc4ncccc43)[nH]2)o1 587266130 VPQAPTTVLOSASI-UHFFFAOYSA-N 356.341 4.946 5 1 FJBF O=C1C[C@H](c2cc3cc([N+](=O)[O-])ccc3o2)Oc2c1ccc1c2CCCC1 587513445 SQEWGHLUWBASPH-HXUWFJFHSA-N 363.369 4.926 5 1 FJBF O=C(Nc1ccccc1Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587060144 BVNLRBWNJOXVMH-UHFFFAOYSA-N 373.803 4.565 5 1 FJBF COc1cc(Cl)ccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587066200 ISRWRDJJGRFTNC-UHFFFAOYSA-N 360.804 4.988 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)o1 587265058 LKMWANBZTMTSCZ-UHFFFAOYSA-N 374.278 4.812 5 1 FJBF Clc1cccc(C2(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CC2)n1 587085012 WKRDHRZQVJXQCR-UHFFFAOYSA-N 371.831 4.788 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)o1 587265670 SBSADUQPSHVJPN-UHFFFAOYSA-N 358.716 4.586 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587075966 GUPUVHFRCPMAAU-UHFFFAOYSA-N 366.764 4.559 5 1 FJBF O=C(CCc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1 587162322 JIJKFRANLOKISZ-UHFFFAOYSA-N 370.387 4.614 5 1 FJBF COc1cccc2[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc12 587272634 XAXQRQZBMZFMRM-UHFFFAOYSA-N 361.357 4.939 5 1 FJBF COC(=O)C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)OC 2356679308 OXNHRKGZZFWUQZ-UHFFFAOYSA-N 356.462 4.786 5 1 FJBF N[C@@H](Cc1ccccc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587059707 VGDFDBWTTFBHEC-INIZCTEOSA-N 373.847 4.555 5 1 FJBF CCOc1ccc(Cc2nc3cc([N+](=O)[O-])ccc3n2CCC(C)C)cc1 1772628333 CCFZFGYTYAHOAN-UHFFFAOYSA-N 367.449 4.980 5 1 FJBF O=C(CN1C=C[C](Cc2ccc([N+](=O)[O-])cc2)C=C1)c1ccc(Cl)cc1 2356841646 GXRRRJSPSDPMNU-UHFFFAOYSA-N 367.812 4.591 5 1 FJBF Cc1cccc([N+](=O)[O-])c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587509649 IFILDWJFEMUXEQ-OAQYLSRUSA-N 351.402 4.663 5 1 FJBF O=C(c1c(-c2cccc(F)c2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645330 QHWQWGWBVIFPOY-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF O=C1C[C@H](c2c(Cl)cccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587503869 HBMSDETVYIHLTL-QGZVFWFLSA-N 357.793 4.834 5 1 FJBF O=c1cc(-c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)oc2ccccc12 1857614180 AEHUUHKFZVPTGY-UHFFFAOYSA-N 373.364 4.947 5 1 FJBF Cn1c2ccccc2c2cc([C@@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3)ccc21 84687109 XCPSPNZVLNGKOU-FQEVSTJZSA-N 370.412 4.678 5 1 FJBF Cc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587512136 UPLNXJQZBZPOQA-OAQYLSRUSA-N 351.402 4.663 5 1 FJBF O[C@@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H]2O[C@@H]2[C@@H]1O 102842462 WVRJTJXJEXHJBK-MOUTVQLLSA-N 352.389 4.585 5 1 FJBF CCCc1c(O)ccc2c1O[C@](CCC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472350 HBGJLUPXAZCWGN-NRFANRHFSA-N 369.417 4.914 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2)c1 587270391 NKJMYVNZQYFNDJ-UHFFFAOYSA-N 370.290 4.617 5 1 FJBF CCCc1c(O)ccc2c1O[C@](c1cccc([N+](=O)[O-])c1)(C1CC1)CC2=O 587473369 SUIDQYZZQUBJLS-NRFANRHFSA-N 367.401 4.524 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(CC)c([N+](=O)[O-])c1)CC2=O 587468125 BEHSGRZAYOYQHA-IBGZPJMESA-N 355.390 4.522 5 1 FJBF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645541 YKZWWIFMTGINPU-UHFFFAOYSA-N 364.270 4.959 5 1 FJBF O=[N+]([O-])c1ccc(-c2occc2-c2ccc([N+](=O)[O-])c3cccnc23)cc1 1857653031 XOOPQJBKBXULPH-UHFFFAOYSA-N 361.313 4.978 5 1 FJBF Cc1ccc(NC2(c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)CCCC2)cc1 587237020 KWDQKCJAJLACBF-UHFFFAOYSA-N 354.385 4.800 5 1 FJBF O=C(c1cc(C(F)(F)F)ccc1F)c1coc2cc([N+](=O)[O-])ccc12 587279815 BLCCMVOXIFTHBH-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF O=[N+]([O-])c1ccc([C@@H]2NCCc3cccc(Cl)c32)c(Cl)c1Cl 963380344 JRBXOJSWWXHZMJ-HNNXBMFYSA-N 357.624 4.790 5 1 FJBF Cc1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1C 586979708 ILBGXDSTIBZJHG-UHFFFAOYSA-N 360.211 4.826 5 1 FJBF Cc1ccoc1CN(C(=O)OC1C[C@@H]2CC[C@@H](C1)[N+]2(C)C)c1ccccc1 101152240 FPBBKOFNQVUXDJ-OALUTQOASA-N 369.485 4.501 5 1 FJBF FC(F)(F)[C@](F)(Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587089657 FSEZVAVVNSATNQ-AWEZNQCLSA-N 354.694 4.583 5 1 FJBF Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647021 CPDONWIAPUEFJZ-UHFFFAOYSA-N 373.368 4.545 5 1 FJBF CCO[P@@]1(=O)OC(c2ccc([N+](=O)[O-])cc2)=Cc2ccc(Cl)cc21 49784975 MVMJUJFZYABYKT-XMMPIXPASA-N 365.709 4.631 5 1 FJBF COc1ccc2c(c1)CCC=C2Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587934618 KAYFCYCRMGEOIO-UHFFFAOYSA-N 369.808 4.705 5 1 FJBF O=C1C[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 587511372 GKUJHXBMMBKPRK-HXUWFJFHSA-N 362.385 4.661 5 1 FJBF CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@@H](C)[N+](=O)[O-] 587627871 LAZVBVSCNVMFHI-SSDOTTSWSA-N 368.277 4.976 5 1 FJBF O=C1C[C@@H](c2ccnc3c([N+](=O)[O-])cccc23)Oc2c1ccc1c2CCCC1 587511678 IBAWZZFKTOUBPY-FQEVSTJZSA-N 374.396 4.728 5 1 FJBF Cc1cc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)c(C)o1 587645522 YCNHWKCMRMSHMJ-UHFFFAOYSA-N 352.268 4.698 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)cc1 587272539 UTHHSGLFQXXHBS-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587459382 IGCGOIUXOHLDDZ-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF COc1cccc(N2CCN(c3nc4ccccc4c4ccccc34)CC2)c1 103264637 MYMMSWBWIXNQMB-UHFFFAOYSA-N 369.468 4.723 5 1 FJBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587195810 NRHUQRGRIIWGCM-AWEZNQCLSA-N 367.456 4.877 5 1 FJBF O=C(c1ccc(F)c(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280025 HCPRHPNYBSLADX-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@H]1c1ccccc1 1772647345 ANPAOVBAIMJBDJ-GCJKJVERSA-N 370.412 4.602 5 1 FJBF CCN=c1[nH]c2ccccc2c2c(=O)c3cc(F)cc(Cl)c3sc12 2382261985 JARWFMSYIKIELX-UHFFFAOYSA-N 358.825 4.609 5 1 FJBF FC(F)(F)c1cccnc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587109542 XUEKGRONSXZFHY-UHFFFAOYSA-N 365.318 4.740 5 1 FJBF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 6222860 MHKXNCMCLMBLIP-NRFANRHFSA-N 371.396 4.586 5 1 FJBF Cc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73164863 YZAAXAWPNUWNKE-UHFFFAOYSA-N 352.401 4.620 5 1 FJBF O=C(Nc1ccccc1Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587061000 YQKQIUGTIJYCQP-UHFFFAOYSA-N 373.803 4.565 5 1 FJBF Cc1cc(F)c2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2c1 587110123 SRJMEFOXNUXWKJ-UHFFFAOYSA-N 353.275 4.528 5 1 FJBF O=C(OCCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82086432 JQQHPRIRLSPLLV-UHFFFAOYSA-N 360.435 4.846 5 1 FJBF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc([N+](=O)[O-])ccc12 587646196 LIGSMWKUUJWWIY-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF C[n+]1ccc(-c2c3ccccc3c(-c3cc[n+](C)cc3)c3ccccc23)cc1 1911575222 KPSFRKYLTCOEEE-UHFFFAOYSA-N 362.476 4.976 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587160642 YEURWJHTFUFSLM-UHFFFAOYSA-N 363.348 4.856 5 1 FJBF O=C1c2ccccc2-c2c1cccc2C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279046 DXKTZRGFWWRSNN-UHFFFAOYSA-N 369.332 4.783 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1[N+](=O)[O-])CC2=O 587462386 YWNXVOPJQBFBRK-INIZCTEOSA-N 361.781 4.613 5 1 FJBF Cc1ccccc1N1CCN(c2cc(=O)oc3c2ccc2ccccc23)CC1 1857559498 AYAPUHWWPCSPGJ-UHFFFAOYSA-N 370.452 4.581 5 1 FJBF CCN1CCc2c(sc3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2)C1 13781862 KUJMJVJTQWVBSI-SFHVURJKSA-N 352.459 4.819 5 1 FJBF O=[N+]([O-])c1ccc(-c2csc3ncnc(NCc4ccccc4)c23)cc1 299834863 VRVZBMRHTVBMED-UHFFFAOYSA-N 362.414 4.879 5 1 FJBF Cc1c(Cl)ccc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c12 587269997 UURLYPAUVHPPCF-UHFFFAOYSA-N 356.813 4.700 5 1 FJBF Cc1nn(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c(C)c1Cl 587064772 GLVFYIWYDNPZMW-UHFFFAOYSA-N 367.796 4.594 5 1 FJBF Cc1c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166586 WSTDLKNPIFWZLF-UHFFFAOYSA-N 350.353 4.591 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)cc1 587272484 UIMIWEUAAFABPY-UHFFFAOYSA-N 371.356 4.807 5 1 FJBF O=C(c1ccc(C(F)(F)F)cc1F)c1coc2cc([N+](=O)[O-])ccc12 587280277 QTKATCYZVCECHN-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF CCCN1CCC(COc2nc3cc(OC)ccc3c3ccccc23)CC1 95578169 NCORZKZYAVSVRZ-UHFFFAOYSA-N 364.489 4.897 5 1 FJBF Cc1cc(Br)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1F 587137960 UQJYGOPMJZYMJJ-UHFFFAOYSA-N 364.174 4.657 5 1 FJBF O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 13586814 GJUARCGMMKNBAL-UHFFFAOYSA-N 359.691 4.911 5 1 FJBF Nc1scc(-c2cccc([N+](=O)[O-])c2)c1C(=O)c1ccc(Cl)cc1 43016471 ZHMGUGQBEPHOTD-UHFFFAOYSA-N 358.806 4.790 5 1 FJBF COC(=O)CCCCCCCN=c1c2ccccc2[nH]c2ccccc12 2382238827 OTNVLKQSISDFQE-UHFFFAOYSA-N 350.462 4.735 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(F)c1)c1cccc(F)c1)C2 101420141 HRJMEBQOMIUMNQ-FGZHOGPDSA-N 372.479 4.608 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 587063021 LDSDZKGFFDRFFG-UHFFFAOYSA-N 364.792 4.777 5 1 FJBF C[N+](C)(C)CCCCCCCCCCCCN1C(=O)c2ccccc2C1=O 14947237 YSQDAARJRXQVEK-UHFFFAOYSA-N 373.561 4.890 5 1 FJBF O=[N+]([O-])c1ccc(-c2nnc(Nc3nc4ccc(Cl)cc4s3)o2)cc1 98082608 ZCVSEHIFOBRGCI-UHFFFAOYSA-N 373.781 4.652 5 1 FJBF C[C@@]12CCC=C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 13830270 GKUXPEUVWFIVKU-KCZVDYSFSA-N 362.429 4.651 5 1 FJBF Cc1ccc([C@@]2(C(F)(F)F)NCCc3c2sc(C)c3C)cc1[N+](=O)[O-] 963029426 USSPVPHDMGFEBN-MRXNPFEDSA-N 370.396 4.533 5 1 FJBF COc1ccc2nc3ccc4ccn(CCN5CCCCC5)cc4c3c2c1 377386510 UTTSSAIXHRXMII-UHFFFAOYSA-N 359.473 4.837 5 1 FJBF C(=C/c1ccccc1)\COCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587780903 LJTOHWUUSFEEOU-RMKNXTFCSA-N 366.424 4.889 5 1 FJBF CCCN1CCc2c(c3ccc(OC)cc3c3cc(OC)c(OC)cc23)C1 95578035 FHDRHIKZJHDZPW-UHFFFAOYSA-N 365.473 4.787 5 1 FJBF C[N+]1(C)[C@H]2CCC[C@@H]1C[C@@H](CC(O)(c1ccccc1)c1ccccc1)C2 103235735 FSJYUJJSYDKMHD-AGYIDARRSA-N 350.526 4.720 5 1 FJBF COc1ccc2c(ccc3c4ccccc4c(NCCCN(C)C)nc23)c1 13600434 DQHXEKPKQVEXJX-UHFFFAOYSA-N 359.473 4.913 5 1 FJBF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)n1 587081252 YMCBNGNELNXGRR-SSDOTTSWSA-N 354.197 4.612 5 1 FJBF O=[N+]([O-])c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1O 1772610417 HUILBFJFGUWXGF-UHFFFAOYSA-N 358.357 4.654 5 1 FJBF O=[N+]([O-])c1ccc(/C=C/c2cc(Cl)c3ccccc3n2)c([N+](=O)[O-])c1 1857584254 RJORSRJKLFNOCH-FNORWQNLSA-N 355.737 4.875 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 587271885 KOUKIUDLLJARBL-UHFFFAOYSA-N 371.356 4.807 5 1 FJBF O=[N+]([O-])c1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208290 OBUAKLPVAKWUNK-UHFFFAOYSA-N 355.191 4.671 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CC)c([N+](=O)[O-])c1)CC2=O 587468126 BEHSGRZAYOYQHA-LJQANCHMSA-N 355.390 4.522 5 1 FJBF CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C[C@H](C)[N+](=O)[O-] 587627876 LAZVBVSCNVMFHI-ZETCQYMHSA-N 368.277 4.976 5 1 FJBF Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 587647388 GMAPPGIZRUSZSX-UHFFFAOYSA-N 373.368 4.545 5 1 FJBF CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12 13673996 QGAMUVOPYWEQSU-UHFFFAOYSA-N 361.493 4.717 5 1 FJBF Cc1oc(-c2ccsc2)nc1Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587027165 QGOPZYZJMIBYGU-UHFFFAOYSA-N 374.809 4.740 5 1 FJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Cl)cc1[N+](=O)[O-] 587871400 VOPSWMHMAUYATO-UHFFFAOYSA-N 361.760 4.639 5 1 FJBF O=[N+]([O-])c1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2cc1Cl 587951747 ZRMWKJMQJGOFOU-UHFFFAOYSA-N 361.829 4.610 5 1 FJBF CN(c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)nc2ccccc12 1857563961 MHWRFOLRUNVDQH-UHFFFAOYSA-N 356.385 4.973 5 1 FJBF COc1ccc(S(=O)(=O)Oc2c3ccccc3cc3ccccc23)cc1 28826795 QHVGWZZGHVIVRR-UHFFFAOYSA-N 364.422 4.769 5 1 FJBF CN(C)CCNc1c2cc(Cl)ccc2nc2c1c1ccccc1n2C 84689399 HLESCDIYENMHOW-UHFFFAOYSA-N 352.869 4.507 5 1 FJBF O=c1oc(-c2ccccc2Br)nc2c1ccc1ccccc12 28375275 MTOMDFSLQNFJDY-UHFFFAOYSA-N 352.187 4.771 5 1 FJBF N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl 587058432 GGKBDXIGCUCGTF-MRXNPFEDSA-N 373.847 4.555 5 1 FJBF O=[N+]([O-])c1c(Br)cccc1-c1cc2c3c(cccc3n1)CC2 587208623 WGXHTPFPLMMFDU-UHFFFAOYSA-N 355.191 4.671 5 1 FJBF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587247876 WDGWKIXTNAALAI-UHFFFAOYSA-N 374.400 4.886 5 1 FJBF O=C(Oc1cc(O)c2c(=O)c3ccccc3oc2c1)c1ccccc1Cl 653688025 WFUURESMEDAUAO-UHFFFAOYSA-N 366.756 4.524 5 1 FJBF COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3cccnc23)cc1 1857749769 RBBDKHZQKKAPIS-UHFFFAOYSA-N 357.369 4.881 5 1 FJBF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@H]1c1cccc([N+](=O)[O-])c1 100665500 VZLQGKDGWRSDGQ-HVESIFNPSA-N 356.403 4.950 5 1 FJBF O[C@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H]2O[C@@H]2[C@H]1O 195434556 WVRJTJXJEXHJBK-CJRSTVEYSA-N 352.389 4.585 5 1 FJBF O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 13588872 XJWFMSJUPKNVEX-UHFFFAOYSA-N 365.172 4.603 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2c(Cl)ccnc2[nH]1 586968847 KBZOZMXKOINPPB-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF COc1ccc(C2(c3nc4cccc([N+](=O)[O-])c4[nH]3)CC3(CCC3)C2)cc1 587936607 WANFHGAGVNCDBV-UHFFFAOYSA-N 363.417 4.730 5 1 FJBF O=C(O)c1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(Cl)c(Cl)c1 587644891 PZLZMJIJADRVMI-UHFFFAOYSA-N 351.145 4.748 5 1 FJBF O=[N+]([O-])c1cc(CCO)sc1Sc1cccc(Cl)c1Cl 168195749 OQWVOKXGYKYRGA-UHFFFAOYSA-N 350.248 4.649 5 1 FJBF Cc1c(F)ccc2c1[C@]1(CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1)NCC2 962302525 TVNZGIAKTQGDNL-WIYYLYMNSA-N 354.425 4.741 5 1 FJBF CCN1CCN(c2nc3ccccc3c3c2cc(OC)c2ccccc23)CC1 13742154 RHDDRFXTUXAQSJ-UHFFFAOYSA-N 371.484 4.692 5 1 FJBF Nc1ccc2oc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2c1 587252970 VVIHKQJMZULXDP-UHFFFAOYSA-N 351.369 4.655 5 1 FJBF O=c1cc2n(CCCN3CCCCC3)c3ccccc3nc-2c2ccccc12 206607271 VSGKXCFFJNBRRA-UHFFFAOYSA-N 371.484 4.531 5 1 FJBF COC(=O)Nc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587243520 NNMZFJIQUKBVMX-UHFFFAOYSA-N 369.384 4.505 5 1 FJBF CCC(=O)NCCc1c2ncsc2c2nccc3c4ccccc4[nH]c1c32 34294455 BGHQMAOHWNEJFH-UHFFFAOYSA-N 374.469 4.548 5 1 FJBF biogenic CO/C(O)=C1\C(C)=Nc2ccccc2S[C@@H]1c1ccccc1[N+](=O)[O-] 101329211 NBFHVVITMPLNJD-GROYHEBESA-N 356.403 4.950 5 1 FJBF Cc1ccc2c3c(cc(-c4ncccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587098109 NMOZDMKYNSMXKT-UHFFFAOYSA-N 367.364 4.725 5 1 FJBF CC1(C)C=Cc2c(cc3c4c2sc2ccccc2c4nn3CCO)O1 26577294 CCHPWJCBHBCBSW-UHFFFAOYSA-N 350.443 4.581 5 1 FJBF COc1ccc2cc(C[C@H]3CCCCN3)c3cc(OC)c(OC)cc3c2c1 29128413 LJNRDQBWQKYWQP-QGZVFWFLSA-N 365.473 4.703 5 1 FJBF O=C1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587503938 HLLZHGQOZXRCEK-GOSISDBHSA-N 357.793 4.834 5 1 FJBF O=C1c2ccccc2-c2cc(-c3ccccc3[N+](=O)[O-])nc3ccc(O)c1c23 586987878 UHTFEMFKGIHMHV-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF Cc1c(CC[C@@H](C)[N+](=O)[O-])nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097413 HDBWBGYAKIWDRE-CYBMUJFWSA-N 360.413 4.661 5 1 FJBF Cc1cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)ccc1Br 587279876 RQNMBBUBCJWBGX-UHFFFAOYSA-N 360.163 4.643 5 1 FJBF Cc1cc(N(C)Cc2nc3cc4ccccc4cc3[nH]2)c([N+](=O)[O-])cc1F 587137399 YJYLZDHXXBHGAR-UHFFFAOYSA-N 364.380 4.708 5 1 FJBF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587163458 PWTRQCAWAXMWRF-UHFFFAOYSA-N 361.332 4.508 5 1 FJBF O=[N+]([O-])c1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074303 RPCBSUGNPUCOEX-INIZCTEOSA-N 374.803 4.601 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2cc1Cl 587096898 DSBTXMVHGVHWFW-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF O=C1C[C@H](c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 587507726 RWFIUBNRLTXJRF-GOSISDBHSA-N 357.793 4.834 5 1 FJBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)Cl 587645362 RYZDMHNYGHTIOF-UHFFFAOYSA-N 368.698 4.897 5 1 FJBF COc1ccc([C@H](c2ccccc2)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587938736 ZJQXAYVFQJEUNN-IBGZPJMESA-N 359.385 4.660 5 1 FJBF CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 29341579 CDOHVAQYGQQPSF-UHFFFAOYSA-N 358.825 4.716 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4ccc(Cl)cc4[nH]3)c2)c1 587270345 MLWLXGVAGDWFSV-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF CC(=Cc1c(C)n(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12)[N+](=O)[O-] 2356815287 BGONXVZQEYHZBY-UHFFFAOYSA-N 351.362 4.544 5 1 FJBF CCCN=c1[nH]c2ccccc2c2c(=O)c3cccc(Cl)c3sc12 2382216909 BDYPCWUQCBWAQK-UHFFFAOYSA-N 354.862 4.860 5 1 FJBF O=C(O[C@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c([N+](=O)[O-])c1 98084808 LGEZDTCWVFHPCS-KRWDZBQOSA-N 353.761 4.856 5 1 FJBF O=S(=O)(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C1CCCC1 586924552 RZDYNPSEMZALAW-UHFFFAOYSA-N 364.470 4.727 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1F 587060322 AORGBOLCHFABOP-UHFFFAOYSA-N 358.716 4.586 5 1 FJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1cccc(C(F)(F)F)c1 587646333 OLFXMBOIYUDNSM-UHFFFAOYSA-N 363.295 4.656 5 1 FJBF Brc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)o1 587006164 DPHHROZKAAWXIQ-UHFFFAOYSA-N 365.190 4.682 5 1 FJBF CC[C@@H](C)c1ccc2[nH]c(CC(=O)OC)c(-c3cccc([N+](=O)[O-])c3)c2c1 587642605 NRUHOSIYKOZKCD-CYBMUJFWSA-N 366.417 4.972 5 1 FJBF CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccccc1Cl 587644615 HWEVZWFTQRJMJC-UHFFFAOYSA-N 358.781 4.502 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl 587048208 REWVYNFMOOCYKR-RQOWECAXSA-N 368.702 4.709 5 1 FJBF Cc1ccc(-c2ccc([C@H]3NCCc4ccc(F)c(C)c43)o2)cc1[N+](=O)[O-] 962300385 PNJJPTVRRSKPPT-OAQYLSRUSA-N 366.392 4.846 5 1 FJBF Cc1cccc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1 40392938 RONJAPJINFCXRC-UHFFFAOYSA-N 358.297 4.981 5 1 FJBF O=C(c1c(-c2ccco2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)F 587645270 NMSSCVAUHOSPNB-UHFFFAOYSA-N 374.221 4.716 5 1 FJBF COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)nc3cccnc23)cc1 1857630627 DXYFKPHWIWKJKO-UHFFFAOYSA-N 357.369 4.881 5 1 FJBF COc1c2c(cc3oc(=O)c4c5cccc(O)c5oc4c13)OC(C)(C)CC2 15251804 GFJNBLOMWYSKSS-UHFFFAOYSA-N 366.369 4.510 5 1 FJBF biogenic Clc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc23)cc1 73142025 KWTSXUHMAHLNMY-UHFFFAOYSA-N 372.819 4.965 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Cl 587048198 RDOZZCKDJMVPAQ-DUXPYHPUSA-N 368.702 4.709 5 1 FJBF COc1cc2oc3cc(OC)c(Cl)c(OC)c3c(=O)c2c(C)c1Cl 13451837 UTOLWPKZJMQSHR-UHFFFAOYSA-N 369.200 4.587 5 1 FJBF biogenic C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152282 CHCFFXBWNOXOJJ-BWTSREIZSA-N 371.526 4.661 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1ccccc1Cl 13473020 ZHHNIYKZKGRHDG-IBGZPJMESA-N 371.824 4.559 5 1 FJBF CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(OC)cc1)n1ccnc1 28240024 GSZYHKDDFOVVFV-WOJBJXKFSA-N 351.406 4.583 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccnc(Cl)c2[nH]1 586969392 RBASMPYEZWUSMM-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF CCO[C@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 587015087 WXJAPQULMXASFS-MRVPVSSYSA-N 366.830 4.654 5 1 FJBF O=[N+]([O-])c1cncc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587124817 MBVYYKCQFPBWER-UTCJRWHESA-N 366.324 4.648 5 1 FJBF FC(F)(F)[C@](F)(Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587090586 SBEIOLFGHDKLJM-AWEZNQCLSA-N 354.694 4.583 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1[N+](=O)[O-])CC2=O 587461061 JNQLPQDPQNFYHL-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF CC1(C)C[C@](CCNc2cccc([N+](=O)[O-])c2)(c2ccccc2)CCO1 72109402 XBQZRCWMRJRSES-OAQYLSRUSA-N 354.450 4.924 5 1 FJBF C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/C[C@H]3CCC(C)(C)[N+]3(C)C)[C@@H]12 101012185 QWECGXAFJUBHNJ-QQVASMKLSA-N 358.546 4.628 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Cl 587048455 VYGQRCGEVCRWKL-RQOWECAXSA-N 369.595 4.997 5 1 FJBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2c3ccccc3c3ccccc3c2[nH]1 587267053 DYCWDJREAFQLRJ-ZDUSSCGKSA-N 371.400 4.892 5 1 FJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152276 CHCFFXBWNOXOJJ-ROUUACIJSA-N 371.526 4.661 5 1 FJBF CN(C)CCn1nc2c3ccccc3oc3c4c(cc1c32)OC(C)(C)C=C4 26579208 KNUDYGLWACJVTO-UHFFFAOYSA-N 361.445 4.682 5 1 FJBF O=[N+]([O-])c1ccc2nn(Cc3ccccc3)c(OCc3ccccc3)c2c1 95574151 SSCFJDKMZSGULJ-UHFFFAOYSA-N 359.385 4.572 5 1 FJBF O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645234 LOUJGYVJINVSCC-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF COc1c([N+](=O)[O-])cc(/C=C/c2ccc3ccccc3c2)cc1[N+](=O)[O-] 28102575 BLHQCCBDGWGFJW-VOTSOKGWSA-N 350.330 4.835 5 1 FJBF O=C1C[C@H](c2cc([N+](=O)[O-])cc3cccnc23)Oc2c1ccc1c2CCCC1 587512842 OWSXXYUCWZAAPK-HXUWFJFHSA-N 374.396 4.728 5 1 FJBF O=C1C[C@@H](c2cccc([N+](=O)[O-])c2Cl)Oc2c1ccc1c2CCCC1 587506667 NWOXFIDNOAVFRA-KRWDZBQOSA-N 357.793 4.834 5 1 FJBF CCCNc1nc2ccccc2c2c(=O)c3cc(OC)ccc3sc12 2382259697 CTMUJHUKBFNKQX-UHFFFAOYSA-N 350.443 4.793 5 1 FJBF Cc1cccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)c1 5174214 ZPTZCIJXTYKMQN-UHFFFAOYSA-N 363.329 4.557 5 1 FJBF O=C1C[C@H](c2cc(Cl)ccc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587499457 JLKJHPFVIVBDEB-GOSISDBHSA-N 357.793 4.834 5 1 FJBF CCc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1[N+](=O)[O-] 587507076 ACDDUNPXCGAEAE-FQEVSTJZSA-N 351.402 4.743 5 1 FJBF CC1(C)C=Cc2c(c3c4c(c(=O)oc3c3cc([N+](=O)[O-])oc23)CCCC4)O1 169342962 ZHCBQSTVHKLCKS-UHFFFAOYSA-N 367.357 4.510 5 1 FJBF Cc1cc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587051248 ZVUHILRSYPSGRP-HWKANZROSA-N 358.741 4.512 5 1 FJBF O=C1C[C@H](c2cc3c([N+](=O)[O-])cccc3cn2)Oc2c1ccc1c2CCCC1 587512139 LJWKCOJYUVPCNV-OAQYLSRUSA-N 374.396 4.728 5 1 FJBF N=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2cccc([N+](=O)[O-])c2)N1 1857582632 VHAOLRPCNKHZLC-ZDUSSCGKSA-N 358.810 4.502 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1F 587050498 ONIMWBZFCINNGG-UHFFFAOYSA-N 356.744 4.721 5 1 FJBF C(=C/c1ccccc1)\COCc1nc2c3cccnc3c3ncccc3c2[nH]1 587781322 SWNTXYWVVAHIHT-RMKNXTFCSA-N 366.424 4.889 5 1 FJBF COc1ccc(Cn2c(C)nc3c([N+](=O)[O-])c(Cl)c(Cl)cc32)cc1 653701706 MPGLPIATJGBRKR-UHFFFAOYSA-N 366.204 4.617 5 1 FJBF COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2ccccc12 26818916 WCIYXANHYASICQ-HXUWFJFHSA-N 372.380 4.601 5 1 FJBF Cn1c2ccccc2c2cc([C@H]3CC(c4ccc([N+](=O)[O-])cc4)=NN3)ccc21 84687110 XCPSPNZVLNGKOU-HXUWFJFHSA-N 370.412 4.678 5 1 FJBF O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2)c1 587270768 SXFFAGZEZZJUIH-UHFFFAOYSA-N 368.755 4.993 5 1 FJBF CNCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857594891 CUNZLBBUEFQIEU-UHFFFAOYSA-N 372.424 4.762 5 1 FJBF O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 2478718 SCULWHQGHGQSCO-LJQANCHMSA-N 350.399 4.527 5 1 FJBF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472351 HBGJLUPXAZCWGN-OAQYLSRUSA-N 369.417 4.914 5 1 FJBF O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2cccc([N+](=O)[O-])c12 587646271 MLYPZFSECCNCIS-UHFFFAOYSA-N 350.708 4.898 5 1 FJBF Cc1cc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1[N+](=O)[O-] 587051250 ZVUHILRSYPSGRP-HYXAFXHYSA-N 358.741 4.512 5 1 FJBF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 587157566 BFBPOLLVFKIWLR-UHFFFAOYSA-N 361.332 4.757 5 1 FJBF Cc1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1[N+](=O)[O-] 587134898 QMDGCAUESWNJCM-IHWYPQMZSA-N 369.249 4.645 5 1 FJBF CCCN(CCC)CCOc1ccc2c(=O)c3cc(Cl)ccc3[nH]c2c1 1857540265 JWOPLFNEOMWARU-UHFFFAOYSA-N 372.896 4.836 5 1 FJBF C[C@H]1CCC[C@@H](C)[N+]1(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218906 YAKRIFUJVRPBPI-DBCXENNUSA-N 368.541 4.561 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3c(cc2[nH]1)OCO3 586973079 NIPBRXKSYMJYDB-UHFFFAOYSA-N 371.418 4.615 5 1 FJBF C[C@H](NC(=O)CC(F)(F)F)c1nc2c3ccccc3c3ccccc3c2[nH]1 587094747 UWEHJELDAIBZGO-NSHDSACASA-N 371.362 4.999 5 1 FJBF O=[N+]([O-])c1cc2nc(/C=C\c3cccc4ccccc34)[nH]c2cc1[N+](=O)[O-] 587970002 XIUCIFQNMWBKQL-HJWRWDBZSA-N 360.329 4.703 5 1 FJBF c1ccc(CCN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1 103261582 QTQGAAKFLKJMAD-UHFFFAOYSA-N 367.496 4.753 5 1 FJBF CCCC(Br)(CCC)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586970860 KXGWKDMEVACXQV-UHFFFAOYSA-N 358.211 4.801 5 1 FJBF COc1cc2c(c(OC)c1)[C@@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 40568529 AKTLFPJPLCOONZ-JOCHJYFZSA-N 362.493 4.773 5 1 FJBF c1ccc(COC[C@@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 40762691 PLGKYLWPTNKXFR-JOCHJYFZSA-N 356.425 4.873 5 1 FJBF CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 103246265 QSERTEBXUBWYIA-QGZVFWFLSA-N 364.338 4.972 5 1 FJBF Nc1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1C(=O)O 587249771 JGVLTRVVSOLHPP-UHFFFAOYSA-N 353.381 4.817 5 1 FJBF Cc1ccc(NC2(c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)CCCC2)cc1 587236941 HZCZHNVZLNUENL-UHFFFAOYSA-N 350.422 4.969 5 1 FJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(Cl)cc1Cl 587644692 KKJPBPSLUIOCHY-UHFFFAOYSA-N 364.188 4.944 5 1 FJBF COc1cccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c12 586972028 DFGOZWJLBYENCL-UHFFFAOYSA-N 357.435 4.895 5 1 FJBF Cc1cccc(N2CCN(c3cc(=O)oc4c3ccc3ccccc34)CC2)c1 1857561685 FZYLVBLDHZQBSB-UHFFFAOYSA-N 370.452 4.581 5 1 FJBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587273084 DHCSJDMUMBQEEB-ZDUSSCGKSA-N 371.400 4.778 5 1 FJBF CC[C@@H](C)c1ccc2[nH]c(C)c([C@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1 587642802 OTYXSBIEYSWIEO-XUSGNXJCSA-N 368.433 4.988 5 1 FJBF O=C1C[C@@H](c2cc([N+](=O)[O-])ccc2Cl)Oc2c1ccc1c2CCCC1 587507728 RWFIUBNRLTXJRF-SFHVURJKSA-N 357.793 4.834 5 1 FJBF COc1cc(O)cc(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587933235 VLYALEFQNNSNFT-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF Nc1ccc2oc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1 587252899 RWLUHHMCXCSLHT-UHFFFAOYSA-N 351.369 4.655 5 1 FJBF Cc1c(Br)cc2nc(CCc3cccc([N+](=O)[O-])c3)[nH]c2c1C 587269463 CRMFQTJGLOMFAJ-UHFFFAOYSA-N 374.238 4.636 5 1 FJBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2OCC(F)(F)F)cc1 587646563 VAUDRBUACHYPKN-UHFFFAOYSA-N 350.296 4.993 5 1 FJBF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 587011820 KWOWCLDHZYYVDL-UHFFFAOYSA-N 371.809 4.618 5 1 FJBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3C[N+](=O)[O-])c1 587363080 NRTBSJIJZPUUNN-AWEZNQCLSA-N 374.396 4.963 5 1 FJBF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@H]1c1ccccc1[N+](=O)[O-] 101329216 NBFHVVITMPLNJD-HVESIFNPSA-N 356.403 4.950 5 1 FJBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1OC(=O)c1ccccc1F 587645830 LBMLUOQBWSWSIX-UHFFFAOYSA-N 356.353 4.732 5 1 FJBF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647115 QHRFXQJRRGFWMO-UHFFFAOYSA-N 357.369 4.995 5 1 FJBF C[N+]1(CCOC(=O)[C@@H](c2ccsc2)C2CCCCC2)CCCCCC1 13864181 WQWIGYYQGVENDF-HXUWFJFHSA-N 364.575 4.976 5 1 FJBF CN(C)CCCNc1nc2ccc(Cl)cc2c2c1c1ccccc1n2C 169309484 YXHNOBOOJDXMPR-UHFFFAOYSA-N 366.896 4.897 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587160524 UZXRQUUETKQUNY-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF O[C@H](C[C@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1ccc1ccccc12 169333997 SDAMQELJAHESIM-RDTXWAMCSA-N 374.406 4.972 5 1 FJBF Cc1[nH]c2c(C(=O)O)cccc2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587637686 NSGPTBSCFLAQPT-UHFFFAOYSA-N 364.279 4.769 5 1 FJBF Cc1ccc([C@H](C)[C@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586885743 DDXQDBBTVAISCW-FPTDNZKUSA-N 368.440 4.805 5 1 FJBF CC(C)=CCn1cc(CC[N+](C)(C)C)c2ccc(Br)cc21 84711923 JSELIGAJQHCZHL-UHFFFAOYSA-N 350.324 4.619 5 1 FJBF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587931145 RAFVYCJHVSXNNX-BBATYDOGSA-N 357.797 4.578 5 1 FJBF CC(C)(SCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O 586960454 WIDGXKMGYBMTAD-UHFFFAOYSA-N 350.443 4.966 5 1 FJBF c1ccc2nc3cc4[nH]c(-c5csc([C@H]6CCCO6)n5)nc4cc3nc2c1 587017455 WWHDGWBOKRLYNA-GOSISDBHSA-N 373.441 4.634 5 1 FJBF Cc1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cccc1[N+](=O)[O-] 587261083 SGDVNGMXNJOMHX-UHFFFAOYSA-N 366.602 4.862 5 1 FJBF OCCn1cc(-c2ccc3c4cccc5cccc(c6cccc2c63)c54)nn1 1857643683 VTDNMNPQVIBUDQ-UHFFFAOYSA-N 363.420 4.988 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1Cl)CC2=O 587460432 GCGRCCKPUBAIIH-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF CCCc1c(O)ccc2c1O[C@@](c1cccc([N+](=O)[O-])c1)(C1CC1)CC2=O 587473370 SUIDQYZZQUBJLS-OAQYLSRUSA-N 367.401 4.524 5 1 FJBF O=C1C[C@]2(CCCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587512078 KJOHSQHITLOKRH-QFIPXVFZSA-N 363.413 4.671 5 1 FJBF O=[N+]([O-])c1ccc(C2=NO[C@H](c3cc4ccccc4nc3Cl)C2)cc1 84730903 JWDKILRIGFAIMS-KRWDZBQOSA-N 353.765 4.662 5 1 FJBF CC1(C)[C@H]2CCC[C@@]1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 101378573 FFSCPZBJYXHNHZ-REDKUUPNSA-N 365.452 4.842 5 1 FJBF CCCCCn1nc(OCc2ccc(OC)cc2)c2cc([N+](=O)[O-])ccc21 103263938 FZCLGOSOJHUUST-UHFFFAOYSA-N 369.421 4.722 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152152 GNQCCPIYKSBVEZ-NHCUHLMSSA-N 365.497 4.600 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1F 587139664 OMAMHVHWQVHJFL-UHFFFAOYSA-N 362.094 4.862 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2c1 587164667 UVPUKEYVSKIAOA-RIYZIHGNSA-N 366.377 4.656 5 1 FJBF O=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccc(O)cc2o1 64527820 GFPNKXNBLCXNBK-UHFFFAOYSA-N 353.377 4.791 5 1 FJBF Cc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)oc2c1[C@H](O)CCC2 586903195 HMCJOVCIWBARKN-CQSZACIVSA-N 370.412 4.597 5 1 FJBF O=C(CCc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1 587162689 HYGBEGUZYDLPSO-UHFFFAOYSA-N 370.387 4.614 5 1 FJBF Clc1ccc(-c2nnc3sc4nc5ccccc5c-4nn23)c(Cl)c1 1659360 SNXAMUIUHLBDBB-UHFFFAOYSA-N 372.240 4.813 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Cl 587048203 RDOZZCKDJMVPAQ-RQOWECAXSA-N 368.702 4.709 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152284 CHCFFXBWNOXOJJ-REPLKXPHSA-N 371.526 4.661 5 1 FJBF Oc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc2c1CCCC2 586899347 YRGPXVWMVJCQKS-UHFFFAOYSA-N 366.424 4.911 5 1 FJBF Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1Cc1ccc(Cl)nc1 653689447 VILZODAKZQDLAG-UHFFFAOYSA-N 371.611 4.656 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc1 587271388 CIDNMPNXZFXMLH-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF O=C(c1ccc(-c2ccccc2F)o1)c1coc2cc([N+](=O)[O-])ccc12 587280328 TXUASBJRUYYJJU-UHFFFAOYSA-N 351.289 4.971 5 1 FJBF CC(C)=CCn1c2cc(=O)c3cc(C)ccc3c-2nc2c(C(=O)O)cccc21 73280408 QHHRTZLTYBFXGQ-UHFFFAOYSA-N 372.424 4.627 5 1 FJBF CCCN1CCC(COc2nc3ccccc3c3ccc(OC)cc23)CC1 95577483 RYVBEKVZJJBICQ-UHFFFAOYSA-N 364.489 4.897 5 1 FJBF Oc1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc2c1CCCC2 586897615 HAADSDYCWNMWPD-UHFFFAOYSA-N 366.424 4.911 5 1 FJBF COc1c(O)cc2oc3c4ccc(O)cc4oc(=O)c3c2c1CC=C(C)C 14819194 DLPHHYMGBGKBCN-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic CC1(C)C[C@@](CCNc2cccc([N+](=O)[O-])c2)(c2ccccc2)CCO1 72109401 XBQZRCWMRJRSES-NRFANRHFSA-N 354.450 4.924 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(C(=O)O)c2[nH]1 586972283 GPZJHDODCLZLRY-UHFFFAOYSA-N 371.418 4.584 5 1 FJBF CC/C(=C/c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 587966037 HCQQXGPQURUODL-WQLSENKSSA-N 352.350 4.638 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1F 587077194 TVFBAIHGNZPFHS-UHFFFAOYSA-N 368.755 4.993 5 1 FJBF O=C(Cc1ccccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587279347 GPAWFKQVXSZTCH-UHFFFAOYSA-N 360.163 4.529 5 1 FJBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cccc(F)c12 587632914 NOYRCBFLEYWKIR-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccccc3Cl)c(CC3OCCCO3)c12 587645168 YOGOAKOHKBJOJT-UHFFFAOYSA-N 372.808 4.702 5 1 FJBF Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1nc(O)c1c(O)cccc12 1857538891 XRVJKVPGFCGDFZ-ZDUSSCGKSA-N 374.440 4.542 5 1 FJBF Cc1cc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2cc1[N+](=O)[O-] 586894941 HIZFNCMIGCHIMB-UHFFFAOYSA-N 359.385 4.606 5 1 FJBF Cc1c(F)ccc2c1[C@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1)NCC2 962302518 TVNZGIAKTQGDNL-GHTZIAJQSA-N 354.425 4.741 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)C[C@@H]2CCCC[C@@H]2C4)cc1 34600266 DPDQMVYTRKLCKF-KGLIPLIRSA-N 353.447 4.876 5 1 FJBF O=C1c2ccccc2-c2cc(-c3cccc([N+](=O)[O-])c3O)nc3cccc1c23 587105320 YHUXXUVNPVOWNF-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF COc1ccc2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c2c1 587271978 MKWLWEBLLOXXFY-UHFFFAOYSA-N 361.357 4.939 5 1 FJBF COC(=O)[C@@H](c1ccc(OC)cc1)c1c2ccccc2nc2ccccc12 26816019 KBQGRULKAIRHCV-NRFANRHFSA-N 357.409 4.702 5 1 FJBF O=C(Cc1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587068438 ACDCOEDPCJRIFR-UHFFFAOYSA-N 372.815 4.738 5 1 FJBF O=C(O)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2-c2ccccn2)cc1 587648746 KPTCLTQFWRGQOC-UHFFFAOYSA-N 359.341 4.503 5 1 FJBF Cc1cc(C)c(/C=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)[nH]1 28821477 TZWWECWOMYONFJ-UNOMPAQXSA-N 373.412 4.627 5 1 FJBF CC1(C)CCC(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 587963973 WYLHVAWNYANHKQ-UHFFFAOYSA-N 366.259 4.993 5 1 FJBF COc1cc(C)c2c(=O)c3c(OC)c(Cl)c(OC)c(Cl)c3oc2c1 13451782 KAJRGHJEGIZHMO-UHFFFAOYSA-N 369.200 4.587 5 1 FJBF biogenic O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1F 587139875 QYYACYSRZAHRSD-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645414 UFDCPNIBHKVTAT-UHFFFAOYSA-N 364.270 4.959 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc1 587272493 MMWBMASGHZNHJZ-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587160560 WBVKAOIPECLVLJ-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1cc3cc([N+](=O)[O-])ccc3o1)CC2=O 587471440 QGCYRBLKUQGAAU-IBGZPJMESA-N 367.357 4.706 5 1 FJBF C[C@]12CCC=C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 13830272 GKUXPEUVWFIVKU-SJBKTWHCSA-N 362.429 4.651 5 1 FJBF c1cnc2c(c1)c1nc(C[C@@H]3OCCc4ccsc43)[nH]c1c1cccnc12 587034915 JLKWLEQTCZEOMU-HNNXBMFYSA-N 372.453 4.577 5 1 FJBF C[C@H](c1ccc(N(C)C)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587195811 NRHUQRGRIIWGCM-CQSZACIVSA-N 367.456 4.877 5 1 FJBF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C)cc1[N+](=O)[O-])CC2=O 587472559 JVKYDKJKZOSWCI-NRFANRHFSA-N 369.417 4.528 5 1 FJBF Cc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1C 101420133 NSBBSEOLGKYCEK-FGZHOGPDSA-N 364.553 4.947 5 1 FJBF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 169702026 BXXUGJYCEIAZGL-NRFANRHFSA-N 371.396 4.586 5 1 FJBF Cc1cc2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2cc1[N+](=O)[O-] 587166263 PUFHDIUDWPTSCX-UHFFFAOYSA-N 364.380 4.900 5 1 FJBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2ccc(F)c(Cl)c12 587631492 OBQPPBRVHAUZKQ-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644292 SWSDDDATMHQCAH-UHFFFAOYSA-N 373.206 4.572 5 1 FJBF COc1cc(Cl)ccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587066233 KVGPUUYIGNEMFF-UHFFFAOYSA-N 360.804 4.988 5 1 FJBF Cc1c(CCc2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644263 RZCPWUCJAZMTHL-UHFFFAOYSA-N 359.223 4.932 5 1 FJBF COc1ccc2c3c(c4ccc(OC)c(OC)c4c2c1)C[C@H]1CCCN1C3 137505387 JMYNGCABPFYJBC-CQSZACIVSA-N 363.457 4.539 5 1 FJBF C[C@H]1CCC[C@@H](C)[N@+]1(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 253636961 YAKRIFUJVRPBPI-VYVQKFEUSA-N 368.541 4.561 5 1 FJBF O=c1oc2c(ccc3ccccc32)c2c1CN1CCc3ccccc3[C@@H]1C2 64499417 FDJKLCMGUQCEJF-QFIPXVFZSA-N 353.421 4.602 5 1 FJBF Cc1cc2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2cc1[N+](=O)[O-] 587242485 MNCCGYABBPQXKB-UHFFFAOYSA-N 360.373 4.896 5 1 FJBF CC[C@@]1(CSc2ccccc2[N+](=O)[O-])NCCc2ccc(F)c(C)c21 962299546 OLTPVSGTZWHPOV-IBGZPJMESA-N 360.454 4.586 5 1 FJBF CCCN1CCC(COc2nc3c(OC)cccc3c3ccccc23)CC1 95574636 OLINRUQQUFMPJJ-UHFFFAOYSA-N 364.489 4.897 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587160275 PATQRLWLDWETPG-UHFFFAOYSA-N 357.288 4.889 5 1 FJBF COc1cc(C)ccc1OCc1nc2c3cccnc3c3ncccc3c2[nH]1 587564740 PDCBCGFINQXSFJ-UHFFFAOYSA-N 370.412 4.555 5 1 FJBF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587648698 JZFHNXLFSWOABW-OAHLLOKOSA-N 359.426 4.847 5 1 FJBF O=c1c2ccc(Cn3ccnc3)cc2oc2cc(OC3CCCC3)ccc12 1857760418 IPYOGQIIHKCBIM-UHFFFAOYSA-N 360.413 4.512 5 1 FJBF O=C(Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1)C1CCCCC1 29135938 JIZPTVAFLRLRLH-UHFFFAOYSA-N 354.406 4.693 5 1 FJBF O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Oc1ccccc1 45201029 MHEWCJHSRKVNIF-UHFFFAOYSA-N 365.345 4.737 5 1 FJBF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc([N+](=O)[O-])c12 587646285 NDIIJTPCZWTGLZ-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF Cc1ccc(-c2cc3nc4ccccc4nc3c(=O)n2-c2ccccc2)cc1 1772576095 XWIGUVUPWOQXQA-UHFFFAOYSA-N 363.420 4.909 5 1 FJBF N=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2cccc([N+](=O)[O-])c2)N1 1857582631 VHAOLRPCNKHZLC-CYBMUJFWSA-N 358.810 4.502 5 1 FJBF CCCN(CCC)CCOc1ccc2c(=O)c3ccc(Cl)cc3[nH]c2c1 1857540909 HLRYOBLMWKCDIA-UHFFFAOYSA-N 372.896 4.836 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Cl 587048608 XQLAOWUTXLWVEX-DUXPYHPUSA-N 371.677 4.851 5 1 FJBF Cc1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1[N+](=O)[O-] 587266343 YTBWNIWKZZWUDJ-UHFFFAOYSA-N 364.317 4.615 5 1 FJBF O=c1cc(Nc2ccccc2)sc2c([N+](=O)[O-])cc(C(F)(F)F)cc12 1857578130 DCIMZOXDDLNXKA-UHFFFAOYSA-N 366.320 4.932 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587874054 PFQWPRAOVSUVSL-UHFFFAOYSA-N 365.242 4.711 5 1 FJBF O=C(O)[C@H](Cc1ccccc1)NCc1c2ccccc2cc2ccccc12 95552997 XQYKVQHJKQWNFR-QHCPKHFHSA-N 355.437 4.779 5 1 FJBF Cc1ccc(-c2ccc([C@@H]3NCCc4ccc(F)c(C)c43)o2)cc1[N+](=O)[O-] 962300360 PNJJPTVRRSKPPT-NRFANRHFSA-N 366.392 4.846 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101152160 LPXIRSSTWSVBRH-PMOLBWCYSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112965 QDXPZQMKPJXMBW-UHFFFAOYSA-N 358.279 4.705 5 1 FJBF COc1cc(-c2oc3c(ccc4ccccc43)c(=O)c2OC)ccc1F 96283609 PHPVWPUHZNWUOC-UHFFFAOYSA-N 350.345 4.770 5 1 FJBF CCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 82163407 LCZFFSPVFGTGSA-UHFFFAOYSA-N 367.409 4.536 5 1 FJBF CSc1ccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2c1 587110113 SKHNEAOJKLVNIU-UHFFFAOYSA-N 367.352 4.803 5 1 FJBF Cc1cc(O)c(-c2ccc([C@@H](C)N)cc2)c2c1nc(O)c1c(F)cccc12 1857571804 JMLDLPXCQFSNOZ-GFCCVEGCSA-N 362.404 4.933 5 1 FJBF O=[N+]([O-])c1c(Br)ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587959170 KCKGEURNDNQJRF-RYUDHWBXSA-N 372.222 4.580 5 1 FJBF CC[C@]1(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)CC(=O)c2ccccc2C1 587962661 YSAWHFFJPOWABM-OAQYLSRUSA-N 363.417 4.548 5 1 FJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101152155 LPXIRSSTWSVBRH-OALUTQOASA-N 371.526 4.661 5 1 FJBF COc1ccc(-c2csc3c2[N@@+]2(C)C=CC=C2[C@@H]3N2CCCC2)cc1 254073909 AOMXUERMDCAJHH-CVDCTZTESA-N 351.495 4.923 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084292 XBNWQPALGPKNGS-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF O=[N+]([O-])c1ccc2c(c1NCCc1ccccc1)NC1(CCCCC1)[N+]2=O 169686959 CTZDTQWYWJZKDH-UHFFFAOYSA-N 367.429 4.746 5 1 FJBF Fc1ccc2[nH]cc(Cc3nc4c5cccnc5c5ncccc5c4[nH]3)c2c1 587175211 SKAUTPQNSHJJBD-UHFFFAOYSA-N 367.387 4.871 5 1 FJBF CC(C)c1cccc(C(C)C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 13776999 HTKHAKKSAQLKRJ-UHFFFAOYSA-N 352.390 4.642 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1cccc([N+](=O)[O-])c1Cl)CC2=O 587461074 JTJFVMDHHCIGAY-MRXNPFEDSA-N 361.781 4.613 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(F)cc3)c12 587645656 GLVPISFGKZPBPC-UHFFFAOYSA-N 364.332 4.960 5 1 FJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151866 PNLHOADYGQJVLG-OALUTQOASA-N 371.526 4.661 5 1 FJBF O=C1C[C@H](c2c[nH]c3cccc([N+](=O)[O-])c23)Oc2c1ccc1c2CCCC1 587510487 APBKKLGCDFEJCN-LJQANCHMSA-N 362.385 4.661 5 1 FJBF CCCOc1c2cc([N+](=O)[O-])ccc2nn1Cc1ccc2ccccc2c1 95577178 BYUUMBAKBMLPAP-UHFFFAOYSA-N 361.401 4.935 5 1 FJBF O=[N+]([O-])c1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc2ncccc12 963121573 NPLIGWAMHKOPPA-QGZVFWFLSA-N 374.227 4.685 5 1 FJBF O=[N+]([O-])c1ccc(N2C[N+](c3ccccc3)=NC(c3ccccc3)=N2)cc1 5850167 RWPLLDRBHNWMJT-UHFFFAOYSA-N 358.381 4.531 5 1 FJBF O=[N+]([O-])c1ccccc1[C@H]1c2ccccc2CCN1CCOc1ccccc1 40395333 KPPMUOJFHASOQF-HSZRJFAPSA-N 374.440 4.621 5 1 FJBF O=C1Nc2c(sc3ccc(Cl)cc23)[C@H](c2cccc([N+](=O)[O-])c2)N1 1857559331 BEEPBHRRPPQJTG-ZDUSSCGKSA-N 359.794 4.687 5 1 FJBF Cc1ccoc1CN(C(=O)OC1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 28825414 FPBBKOFNQVUXDJ-YOFSQIOKSA-N 369.485 4.501 5 1 FJBF O=[N+]([O-])c1cncc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062023 AFDUGVHIHRXWTQ-UHFFFAOYSA-N 364.792 4.777 5 1 FJBF Clc1ccc2c(c1)C[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 587081746 ZQGYSVPLZKXEEE-HXUWFJFHSA-N 372.815 4.989 5 1 FJBF Cc1cc(Br)ccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279710 PBLGXZDRUMZOFG-UHFFFAOYSA-N 360.163 4.643 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@@H](c1ccccc1)c1cccc(Cl)c1 13473026 ASIJIZKHURAAOW-IBGZPJMESA-N 371.824 4.559 5 1 FJBF Cn1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C(F)(F)F)c1 587114997 CNVSUPSZBMVNDG-UHFFFAOYSA-N 367.334 4.684 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)C[C@@H]2CCCC[C@H]2C4)cc1 34600268 DPDQMVYTRKLCKF-KBPBESRZSA-N 353.447 4.876 5 1 FJBF COc1cc2c3c(c1)O[C@H](c1c4ccccc4nc4ccccc14)[C@@H](C2)C3=O 587436294 NCMMQXKCOQQZCW-XDHUDOTRSA-N 367.404 4.885 5 1 FJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2Cl)N1 962943303 GOQQQZKUSNJANP-BBATYDOGSA-N 355.825 4.743 5 1 FJBF OCCN(C[C@H](O)c1cc2ccccc2c2ccccc12)C1CCCCC1 169338089 LVHPRSGUFSGBTF-DEOSSOPVSA-N 363.501 4.653 5 1 FJBF COC(=O)c1cccc2c1nc(Nc1cccc(Cl)c1)c1ccncc12 73196639 HHCMPCGFJHHCBQ-UHFFFAOYSA-N 363.804 4.967 5 1 FJBF COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccccc3)oc12 299864691 RWKCNXGHHHVDGY-UHFFFAOYSA-N 362.381 4.639 5 1 FJBF Clc1cccc(Nc2nc3cc(-c4nc[nH]n4)ccc3c3cnccc23)c1 66102804 ADFWBLXRNNBBMX-UHFFFAOYSA-N 372.819 4.965 5 1 FJBF O=[N+]([O-])c1ccc(-c2nc3ccccc3n2-c2ccc([N+](=O)[O-])cc2)cc1 1911576927 GFOLFDLZAQGZKD-UHFFFAOYSA-N 360.329 4.509 5 1 FJBF Cn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccc(Cl)cc3c21 169309482 LTRNWPBHCNDARR-UHFFFAOYSA-N 366.896 4.930 5 1 FJBF Cc1ccc(CN(Cc2cccnc2)Cc2ccc([N+](=O)[O-])s2)cc1 96270199 QIDKEELAOWOGNZ-UHFFFAOYSA-N 353.447 4.562 5 1 FJBF O=[N+]([O-])c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148335 BIQSKLYAQOLTBY-GOSISDBHSA-N 362.364 4.812 5 1 FJBF O=[N+]([O-])c1cc2nc([C@@H]3SCCc4sccc43)[nH]c2cc1Cl 587037847 ZKSYHKWUAQJOKC-CYBMUJFWSA-N 351.840 4.565 5 1 FJBF O=[N+]([O-])c1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587074304 RPCBSUGNPUCOEX-MRXNPFEDSA-N 374.803 4.601 5 1 FJBF COC(=O)Nc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587243336 KEIJJNKGEADYGH-UHFFFAOYSA-N 369.384 4.505 5 1 FJBF O=C1C[C@@H](c2c(O)ccc([N+](=O)[O-])c2Cl)Oc2c1ccc1c2CCCC1 587502840 FWCKUEIABMFAIH-INIZCTEOSA-N 373.792 4.539 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl 587047115 BTMUIVBDWHBPDB-RQOWECAXSA-N 369.595 4.997 5 1 FJBF COc1ccc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)cc1O 587786681 OJXBBOAOXITDSV-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF COc1ccc2cc([C@@H](C)c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)ccc2c1 587934687 MKIVWYGXSOFICQ-LLVKDONJSA-N 365.364 4.924 5 1 FJBF COC(=O)CCCCCCCCC(=O)c1coc2cc([N+](=O)[O-])ccc12 587279388 INIOOPRINRBWKB-UHFFFAOYSA-N 361.394 4.818 5 1 FJBF CCN(CC)CCCN=c1c2ccccc2n(C)c2c1oc1ccccc12 53175288 IGWITCNLTQAOFK-UHFFFAOYSA-N 361.489 4.710 5 1 FJBF O=[N+]([O-])c1cn(CC/C=C/c2ccc(OCc3ccc(F)cc3)cc2)cn1 96938096 XUNVZFVODVPDFB-HNQUOIGGSA-N 367.380 4.613 5 1 FJBF O=[N+]([O-])c1cc(Br)cc2nc(CC3CCCCCC3)[nH]c12 587959921 BYYAQYUMRCUFOU-UHFFFAOYSA-N 352.232 4.747 5 1 FJBF Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(OCC(F)(F)F)cc12 1632153 APJWEHXABABSIC-UHFFFAOYSA-O 359.371 4.857 5 1 FJBF CCCCOC(=O)c1cccc2nc3cc(OCCCC)c(N)cc3nc12 103223562 KSPYTEBPABYUKW-UHFFFAOYSA-N 367.449 4.501 5 1 FJBF COc1c(O)cc2oc3cc4occc4c(O)c3c(=O)c2c1CC=C(C)C 95099106 WEELWZNBAZIZRK-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic,in-vitro O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(Cl)cc3)nc12 587070222 RBZXWTHTOCUWMN-UHFFFAOYSA-N 352.575 4.554 5 1 FJBF O=C1c2ccccc2-c2cc(-c3cc([N+](=O)[O-])ccc3O)nc3cccc1c23 587104997 KUPFRPORESEOIS-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)c1 587631415 LNTKKQDOYNJAJF-UHFFFAOYSA-N 356.744 4.721 5 1 FJBF CCCCCCc1ccc(O)c(C(=O)NCc2ccc(C)c([N+](=O)[O-])c2)c1 28247654 CZORZRCLOSCIDS-UHFFFAOYSA-N 370.449 4.662 5 1 FJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587270002 UVSHFLATBGJWKW-UHFFFAOYSA-N 362.433 4.617 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3nc(Cc4ccc(Cl)cc4)sc3n2)cc1 299833651 VJSGDEBXAVRCBA-UHFFFAOYSA-N 370.821 4.610 5 1 FJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c(C)cc(Cl)cc12 587627402 UYCHEHXKDPVIRK-UHFFFAOYSA-N 358.781 4.882 5 1 FJBF Nc1ccccc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc([N+](=O)[O-])ccc12 587647811 QHZFLLQCJOTDQX-UHFFFAOYSA-N 373.368 4.545 5 1 FJBF COc1cc(O)cc2oc(=O)c3c4cc(CC=C(C)C)c(O)cc4oc3c12 14819183 NPVAVSPMDJQPRK-UHFFFAOYSA-N 366.369 4.621 5 1 FJBF biogenic O=[N+]([O-])c1cc(/C=C/c2nc3cnc4ccccc4c3[nH]2)ccc1Cl 587047324 GKSXXKFIOYINJK-SOFGYWHQSA-N 350.765 4.843 5 1 FJBF CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2cc(F)ccc12 587633280 XREHOULGJZHYSR-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF O=C1c2ccccc2-c2cc(-c3ccc([N+](=O)[O-])cc3)nc3ccc(O)c1c23 586986660 DWIRFNQWMOGBMP-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF O=[N+]([O-])c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015466 FBDIPKNKUAHDSE-UHFFFAOYSA-N 356.794 4.915 5 1 FJBF O=[N+]([O-])c1cccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587270927 XGYUCCLMIBLYNN-UHFFFAOYSA-N 369.730 4.929 5 1 FJBF C[C@@H]1CCC[C@@H](C)[N+]1(C)C[C@H](O)COC(c1ccccc1)c1ccccc1 40506251 YAKRIFUJVRPBPI-VIZSFHNOSA-N 368.541 4.561 5 1 FJBF CCOC(=O)C1=C(C)Nc2ccccc2S[C@H]1c1ccc([N+](=O)[O-])cc1 43022188 BHCJLENBTHHBJK-SFHVURJKSA-N 370.430 4.691 5 1 FJBF O=C(c1csc(-c2ccccc2)n1)c1coc2cc([N+](=O)[O-])ccc12 587280479 HAMRHOBUVDZHTR-UHFFFAOYSA-N 350.355 4.696 5 1 FJBF O=C(c1c(-c2ccccc2F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)F 587644821 CDLBYDDYQOSRHN-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)c1coc2ccccc12 587280384 CDYKBWONYWBUAK-UHFFFAOYSA-N 363.325 4.744 5 1 FJBF CN1C(=O)c2c(c3c4cc(Cl)ccc4[nH]c3c3[nH]c4ccccc4c23)C1=O 238735284 FKATVUMYAPUMAF-UHFFFAOYSA-N 373.799 4.835 5 1 FJBF Cc1c([N+](=O)[O-])cccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511141 NMNIHSGZDQPMHX-NRFANRHFSA-N 351.402 4.663 5 1 FJBF COc1cc(O)cc(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587932737 QCTOJYLVCBKDIP-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF CC(C)(CN)CNc1nc2ccc(Cl)cc2c2[nH]c3ccccc3c12 169309469 OQZUNLCGDPMINI-UHFFFAOYSA-N 352.869 4.920 5 1 FJBF O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl 587048613 XSIBSHBCNWLDKK-DUXPYHPUSA-N 369.595 4.997 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076011 HCMFGJNFLOQGEA-UHFFFAOYSA-N 366.764 4.559 5 1 FJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 587270370 WQZPOCCGQZRRDN-UHFFFAOYSA-N 360.776 4.531 5 1 FJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c3cccnc23)Oc2c1ccc1c2CCCC1 587514538 ZLHHGHBSBFZBRW-FQEVSTJZSA-N 374.396 4.728 5 1 FJBF Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1cccc([N+](=O)[O-])c1 1857641704 LVXPNPJAPIJXOS-UHFFFAOYSA-N 363.461 4.892 5 1 FJBF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@H]1c1ccc([N+](=O)[O-])cc1 101477154 ZWJRSDJQGHWZJS-HVESIFNPSA-N 356.403 4.950 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152147 GNQCCPIYKSBVEZ-KOUNCHBCSA-N 365.497 4.600 5 1 FJBF O[C@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H]2O[C@@H]2[C@@H]1O 169354176 WVRJTJXJEXHJBK-UARRHKHWSA-N 352.389 4.585 5 1 FJBF O=C1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccc(Cl)cc2Cl)N1 103162002 JBYZXOKQNKPBRV-HNNXBMFYSA-N 364.188 4.545 5 1 FJBF O=C(Nc1ccccc1[N+](=O)[O-])C1C(c2ccccc2)=C1c1ccccc1 4719408 SHTBWECSTDNYSG-UHFFFAOYSA-N 356.381 4.774 5 3 FJBF aggregator O=[N+]([O-])c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587065030 RSPOXAJGYNAZOH-UHFFFAOYSA-N 369.764 4.964 5 1 FJBF CN1C(=O)c2c(c3c4ccc(O)cc4[nH]c3c3cc4ccccc4cc23)C1=O 28523507 GJXIUHYVVTVOGC-UHFFFAOYSA-N 366.376 4.559 5 1 FJBF C[C@@]1(CCc2ccccc2[N+](=O)[O-])CC(=O)c2ccc3c(c2O1)CCCC3 587510309 ADLYRXJGWHXBPX-JOCHJYFZSA-N 365.429 4.830 5 1 FJBF N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccccc1Cl 587058429 GGKBDXIGCUCGTF-INIZCTEOSA-N 373.847 4.555 5 1 FJBF CC(CO)(CO)NCc1c2ccccc2c2ccc3cccc4ccc1c2c43 5761704 MNYPBMPLWVFYAR-UHFFFAOYSA-N 369.464 4.570 5 1 FJBF O=C1C[C@H](c2cccc([N+](=O)[O-])c2Cl)Oc2c1ccc1c2CCCC1 587506668 NWOXFIDNOAVFRA-QGZVFWFLSA-N 357.793 4.834 5 1 FJBF CCOc1ccc([N+](=O)[O-])cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512234 MJFFULLVRJELCJ-FQEVSTJZSA-N 367.401 4.579 5 1 FJBF COc1c2ccoc2c(CC=C(C)C)c2c1c(=O)c1cccc(O)c1n2C 13380772 VGMGVPQYZQBWFX-UHFFFAOYSA-N 363.413 4.661 5 1 FJBF biogenic Cc1c([N+](=O)[O-])cccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511143 NMNIHSGZDQPMHX-OAQYLSRUSA-N 351.402 4.663 5 1 FJBF COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(OC)c1C 587786129 CQTUEIHCUPPWKA-UHFFFAOYSA-N 370.412 4.652 5 1 FJBF Oc1noc(C2CCNCC2)c1Cc1c2ccccc2cc2ccccc12 13473973 NUSNKEBTPCBSNA-UHFFFAOYSA-N 358.441 4.744 5 1 FJBF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646575 VPPRZZOWTKKEQK-UHFFFAOYSA-N 362.307 4.829 5 1 FJBF CC[C@H](c1ccc([N+](=O)[O-])c(O)c1)[C@@H](CC)c1ccc([N+](=O)[O-])c(O)c1 27656214 SKSJXRNTISGENT-OKILXGFUSA-N 360.366 4.602 5 1 FJBF COc1cc2c3c(c1)O[C@@H](c1c4ccccc4nc4ccccc14)[C@@H](C2)C3=O 587436293 NCMMQXKCOQQZCW-BXKMTCNYSA-N 367.404 4.885 5 1 FJBF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc1 587271453 CYYLMHWCNDDICM-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(C(=O)O)cc2[nH]1 586969149 NVCQUYBGYLQJRX-UHFFFAOYSA-N 371.418 4.584 5 1 FJBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)C(F)(F)F 587645325 QABCGIIEPUAWRG-UHFFFAOYSA-N 364.270 4.754 5 1 FJBF O[C@H](c1cc(C(F)(F)F)nc2c1ccc1ccccc12)[C@H]1CCCCN1 27524092 NXVWKSOWLLYBBO-VQIMIIECSA-N 360.379 4.582 5 1 FJBF COc1ccc([C@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 587937911 RGHRYOODADNIPJ-NRFANRHFSA-N 373.412 4.968 5 1 FJBF CCO/C(O)=C1\C(C)=Nc2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1 100961460 PJFOWOHTJANKKS-SELCWUDQSA-N 353.378 4.660 5 1 FJBF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1ccccc1[N+](=O)[O-] 587626733 HTFYQZJPXNXVBU-UHFFFAOYSA-N 372.808 4.811 5 1 FJBF COc1cc(C)c2c(=O)c3c(OC)cc(OC)c(Cl)c3oc2c1Cl 13451856 SXEYRLITBAHZOS-UHFFFAOYSA-N 369.200 4.587 5 1 FJBF biogenic O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587783643 DGBNNASUNOZJST-DHZHZOJOSA-N 372.384 4.616 5 1 FJBF CC(C)(SCC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 586960459 WIGMLYYTCNMGFK-UHFFFAOYSA-N 350.443 4.922 5 1 FJBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cccc([N+](=O)[O-])c1C3 587105034 LTQRYSSXDHFQEL-UHFFFAOYSA-N 364.360 4.926 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCS[C@H](c1ccccc1)c1ccccc1F 28472398 ZDIIEBPKDXMIQO-LJQANCHMSA-N 371.437 4.762 5 1 FJBF CCN(CC)C(=O)Cn1c2ccccc2c2c(C)c3cnccc3c(C)c21 28760897 XJKPMNPRMLSMKS-UHFFFAOYSA-N 359.473 4.828 5 1 FJBF C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152294 UMEDKGJVCBVATI-ROUUACIJSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)ccc2cccnc12 963115589 AKJVUQUASFPNEX-QGZVFWFLSA-N 374.227 4.685 5 1 FJBF CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(-c2ccccc2)c1C 82157886 FSSQIHUVFUXSIC-UHFFFAOYSA-N 364.401 4.846 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c3ccccc3nc3ccccc13)O2 587396316 ZADDZRBOCIMXKL-OAQYLSRUSA-N 354.409 4.985 5 1 FJBF O=[N+]([O-])c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587955717 LBQIFXXTJZJDBE-MRXNPFEDSA-N 361.376 4.985 5 1 FJBF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc([N+](=O)[O-])ccc1C3 587105081 NQVZIJBWKREGMS-UHFFFAOYSA-N 364.360 4.926 5 1 FJBF CCOc1ccc([N+](=O)[O-])cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587512236 MJFFULLVRJELCJ-HXUWFJFHSA-N 367.401 4.579 5 1 FJBF Cc1ccc2c(c1)c(CN1CCCCC1)cn2Cc1ccccc1[N+](=O)[O-] 1857771361 VQZFIBLXQDWSBN-UHFFFAOYSA-N 363.461 4.892 5 1 FJBF O=C(c1ccc(F)cc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280269 QOLYXURVIWCYKX-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF Cc1cc(C)cc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 587565149 YSLYNULFHDZKCT-UHFFFAOYSA-N 354.413 4.855 5 1 FJBF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 962943304 GOQQQZKUSNJANP-VOJFVSQTSA-N 355.825 4.743 5 1 FJBF CN(C)c1ccc2nc3c4ccccc4/c(=N/c4ccncc4)cc-3oc2c1 71340555 VKWLRXHKZNJVLY-LKUDQCMESA-N 366.424 4.779 5 1 FJBF COc1ccccc1Nc1ccccc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 587240945 SEHBIFNSCOGCID-UHFFFAOYSA-N 360.373 4.890 5 1 FJBF CCNCCCNc1nccc2c(C)c3[nH]c4ccc(OC)cc4c3cc12 29545393 AKOGJMHJWZXZDH-UHFFFAOYSA-N 362.477 4.598 5 1 FJBF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 6222868 MHKXNCMCLMBLIP-OAQYLSRUSA-N 371.396 4.586 5 1 FJBF FC(F)CN1CCC(COc2nc3ccccc3c3ccccc23)CC1 103248566 CQYAZLVMTFZXTP-UHFFFAOYSA-N 356.416 4.744 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1cccc([N+](=O)[O-])c1Cl)CC2=O 587461073 JTJFVMDHHCIGAY-INIZCTEOSA-N 361.781 4.613 5 1 FJBF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587645274 NPKRFYXNAQIUKY-UHFFFAOYSA-N 362.307 4.888 5 1 FJBF CCCCCN(CCCCC)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 68572471 DUEWGFVJEDXLEF-UHFFFAOYSA-N 365.430 4.634 5 1 FJBF biogenic O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl 587048614 XSIBSHBCNWLDKK-RQOWECAXSA-N 369.595 4.997 5 1 FJBF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587149065 COEWTLVKEZCDFX-ZETCQYMHSA-N 353.712 4.543 5 1 FJBF CC[C@H](C)c1ccc2[nH]c(CC(=O)OC)c(-c3cccc([N+](=O)[O-])c3)c2c1 587642607 NRUHOSIYKOZKCD-ZDUSSCGKSA-N 366.417 4.972 5 1 FJBF O=c1cc(Cc2c3ccccc3nc3ccccc23)c2cc(O)ccc2o1 64527084 YJDVRJDMYWBOIM-UHFFFAOYSA-N 353.377 4.791 5 1 FJBF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 586882090 JXMBRGXGMALQAT-UHFFFAOYSA-N 371.396 4.986 5 1 FJBF O=C1C[C@](c2cccc([N+](=O)[O-])c2)(C2CC2)Oc2c1ccc1c2CCCC1 587510394 AJPCTWHJKBOQBJ-JOCHJYFZSA-N 363.413 4.744 5 1 FJBF O=[N+]([O-])c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587955716 LBQIFXXTJZJDBE-INIZCTEOSA-N 361.376 4.985 5 1 FJBF O=C1C[C@H](c2ccc3cccnc3c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513402 SCIBPOIXKTYZJR-LJQANCHMSA-N 374.396 4.728 5 1 FJBF C[C@]12CCC=C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)C2=O 36388139 GKUXPEUVWFIVKU-URVUXULASA-N 362.429 4.651 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc([N+](=O)[O-])c1)CC2=O 587463632 WKYYKXDBQACLTL-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF O=C(c1c(F)cccc1C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 587280312 SCMMVSCBBMDESB-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587951051 INOZXSCZGWAZJN-NSHDSACASA-N 351.337 4.903 5 1 FJBF C[C@H]1CCC[C@H](C)[N+]1(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218914 YAKRIFUJVRPBPI-SXWKCWPCSA-N 368.541 4.561 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 28825403 CHCFFXBWNOXOJJ-DFNIBXOVSA-N 371.526 4.661 5 1 FJBF CCO[P@]1(=O)OC(c2ccc([N+](=O)[O-])cc2)=Cc2ccc(Cl)cc21 49784974 MVMJUJFZYABYKT-DEOSSOPVSA-N 365.709 4.631 5 1 FJBF C[C@H]1CC=C[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13829898 PHVLNRZLQDGIAJ-JWOSDPRPSA-N 362.429 4.507 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 101152145 GNQCCPIYKSBVEZ-ZBYYUNFXSA-N 365.497 4.600 5 1 FJBF CC[C@H](Oc1ccc(C)c(C)c1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279539 KOASCBLZFXRYDQ-SFHVURJKSA-N 353.374 4.998 5 1 FJBF Cn1c2cc3ccccc3cc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 26485490 ZZLHRNDUALOUNI-UHFFFAOYSA-N 357.409 4.735 5 1 FJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3cccc(F)c3)c2n1 1772621215 RJTWMYKXPMWCMT-UHFFFAOYSA-N 353.784 4.750 5 1 FJBF O=[N+]([O-])c1ccc2c(c1)c(OCC1CCCCC1)nn2Cc1ccccc1 103262997 VLMJWSVJQMZYSE-UHFFFAOYSA-N 365.433 4.952 5 1 FJBF Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1nc(O)c1ccccc12 1857558776 AIOQBMZRABXSCF-UHFFFAOYSA-N 370.452 4.765 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13776245 ISWOZYSXNVNFIH-WCRBZPEASA-N 358.452 4.841 5 1 FJBF CCc1[nH]c2cccc([N+](=O)[O-])c2c1Cc1ccc(Br)cc1 587644134 NSERTKSRLGFHEV-UHFFFAOYSA-N 359.223 4.992 5 1 FJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C/C=C/C3 169297504 YYFUIDNQTIPGRU-AATRIKPKSA-N 363.420 4.716 5 1 FJBF COc1c(Cl)cc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1Cl 587280217 OMGHXQAELDTLJD-UHFFFAOYSA-N 366.156 4.887 5 1 FJBF O=C(c1cc(F)c(F)c(Cl)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280279 QWJFFZBHQBWHMT-UHFFFAOYSA-N 355.655 4.643 5 1 FJBF Cc1oc2c(c1-c1nc3c4cccnc4c4ncccc4c3[nH]1)C(=O)CCC2 586903681 LDQLMISOAHHFMA-UHFFFAOYSA-N 368.396 4.747 5 1 FJBF COc1ccc2[nH]c3c(C)c4ccnc(NCCCCCN)c4cc3c2c1 28227562 OHBGIOGADIARAP-UHFFFAOYSA-N 362.477 4.727 5 1 FJBF O[C@@H](c1cc(C(F)(F)F)nc2c1ccc1ccccc12)[C@@H]1CCCCN1 27524091 NXVWKSOWLLYBBO-LPHOPBHVSA-N 360.379 4.582 5 1 FJBF Cc1ccc([C@H](C)[C@@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586885771 DENJIFNPBHKALY-RCDICMHDSA-N 368.440 4.805 5 1 FJBF Cc1nc(-c2ccccc2)sc1Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587012234 QAWRZTJDGGSFIU-UHFFFAOYSA-N 368.393 4.633 5 1 FJBF O=C(c1cncc(-c2cccs2)c1)c1coc2cc([N+](=O)[O-])ccc12 587279867 FIJJANWPMWPXGH-UHFFFAOYSA-N 350.355 4.696 5 1 FJBF O[C@H](c1cccnc1Cl)c1nc2ccccc2c2ccnc(Cl)c12 1661979 ZGYVIEJKFBVLEH-MRXNPFEDSA-N 356.212 4.567 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 28825415 UMEDKGJVCBVATI-DFNIBXOVSA-N 371.526 4.661 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101152168 LPXIRSSTWSVBRH-RTBURBONSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1cc2c(cc1Br)Cc1c-2nc2cccc3c2c1CC3 587207570 GTLNZTUWPBDRQE-UHFFFAOYSA-N 367.202 4.575 5 1 FJBF O=[N+]([O-])c1cc2nc(Cc3ccccc3C(F)(F)F)[nH]c2cc1Cl 587098636 RFJHKWCTCNGAFS-UHFFFAOYSA-N 355.703 4.734 5 1 FJBF CCCCNc1c2c(=O)nc(-c3ccccc3)nc-2n(CC)c2ccccc12 40936811 WHJIZFUMCXKPGH-UHFFFAOYSA-N 372.472 4.795 5 1 FJBF CC[C@@H](C)c1cc(C=O)cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)oc12 1857644742 WVVXKXRKKVXFFR-GFCCVEGCSA-N 351.358 4.898 5 1 FJBF COc1c([N+](=O)[O-])cc(/C=C\c2ccc3ccccc3c2)cc1[N+](=O)[O-] 28113490 BLHQCCBDGWGFJW-SREVYHEPSA-N 350.330 4.835 5 1 FJBF C[N@+]1(Cc2ccccc2)CC[C@H](CCC(=O)c2ccc3c(c2)CCO3)CC1 253694994 XHKYPQJDZKCEOF-FEHRVWHQSA-N 364.509 4.641 5 1 FJBF O=C(Cc1cccc(Br)c1)c1coc2cc([N+](=O)[O-])ccc12 587279552 LDCSKQJMYCTCSU-UHFFFAOYSA-N 360.163 4.529 5 1 FJBF CC(C)Oc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269894 IQWKHHIIHBXFLU-UHFFFAOYSA-N 374.400 4.987 5 1 FJBF O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\C(c1ccccc1)c1ccccc1 102404221 FCQHILMBWIGOJN-BSYVCWPDSA-N 372.380 4.737 5 1 FJBF Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2C(=O)C(F)(F)F)s1 587645258 MYOMAZPVARCXCD-UHFFFAOYSA-N 354.309 4.858 5 1 FJBF Cc1ccc(-c2nc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c(C)s2)cc1 587012795 KHTRKOFBIBNXLX-UHFFFAOYSA-N 350.403 4.878 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)cc1 587271540 FFVSFPWKULCTDZ-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])c(Cl)c1)CC2=O 587463102 UAROBIMKHQBJCL-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF O=C1C[C@@H](c2ccc3cccnc3c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513400 SCIBPOIXKTYZJR-IBGZPJMESA-N 374.396 4.728 5 1 FJBF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)F 587645819 DVLLYQIIEVKMNI-UHFFFAOYSA-N 350.708 4.844 5 1 FJBF C[C@@H]1CC=C[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@@H]21 13829896 PHVLNRZLQDGIAJ-CGRMTHRGSA-N 362.429 4.507 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 103225841 ISWOZYSXNVNFIH-AERCQKQUSA-N 358.452 4.841 5 1 FJBF C[C@@H]1CCC[C@@H](C)[N+]1(C)C[C@@H](O)COC(c1ccccc1)c1ccccc1 28218902 YAKRIFUJVRPBPI-TXTKFYIRSA-N 368.541 4.561 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3cccc(O)c3[nH]2)cc([N+](=O)[O-])c1 587136129 CQTPTLNUQPDXDE-UHFFFAOYSA-N 363.348 4.958 5 1 FJBF O=C(COc1ccc(Cl)cc1Cl)c1coc2cc([N+](=O)[O-])ccc12 587280238 PILUUGVVSPCXDQ-UHFFFAOYSA-N 366.156 4.910 5 1 FJBF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc([N+](=O)[O-])c12 587644785 NPJVMLZLWOTBFE-UHFFFAOYSA-N 365.172 4.677 5 1 FJBF Cc1ccc([N+]2=NC(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)C2)cc1 5850181 SQCHGMRZOOLNDW-UHFFFAOYSA-N 372.408 4.839 5 1 FJBF O=[N+]([O-])c1cc(Br)ccc1-c1cc2c3c(cccc3n1)CC2 587208758 YZQVZDSMJKMJQF-UHFFFAOYSA-N 355.191 4.671 5 1 FJBF O=C1C[C@H](c2ccc3cc([N+](=O)[O-])ccc3n2)Oc2c1ccc1c2CCCC1 587511803 JARYGXBTSYQRJX-OAQYLSRUSA-N 374.396 4.728 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587783644 DGBNNASUNOZJST-FLIBITNWSA-N 372.384 4.616 5 1 FJBF O=c1[nH]c2cc(CN3CC=C(c4ccccc4)CC3)ccc2c2ccccc12 28527089 RXXRSJMPZOLNLZ-UHFFFAOYSA-N 366.464 4.971 5 1 FJBF O=C(c1ccc(C(F)(F)F)c(F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280327 SYMCLJACPRHZJD-UHFFFAOYSA-N 371.217 4.869 5 1 FJBF O=[N+]([O-])c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148297 AXRXJEMGZQLEFP-LJQANCHMSA-N 362.364 4.812 5 1 FJBF COc1ccc2[nH]c3cc(Cl)ccc3c(=Nc3ccc(F)cc3)c2n1 1772632242 WSAWMKHQFBOYSV-UHFFFAOYSA-N 353.784 4.750 5 1 FJBF C[C@H]1CC=C[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(Cc3ccccc3)C(=O)[C@H]12 13829894 PHVLNRZLQDGIAJ-LWILDLIXSA-N 362.429 4.507 5 1 FJBF CC1(C)CC(=O)c2c(nn(-c3ccc([N+](=O)[O-])cc3)c2C2CCCCC2)C1 73240761 VYNZFFHAACFBSO-UHFFFAOYSA-N 367.449 4.983 5 1 FJBF CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3cc4c(cc3oc21)OCO4 238760716 NZIXOIZQAHGHPZ-UHFFFAOYSA-N 364.353 4.635 5 1 FJBF O=C1C[C@@]2(CCCc3ccc([N+](=O)[O-])cc32)Oc2c1ccc1c2CCCC1 587512075 KJOHSQHITLOKRH-JOCHJYFZSA-N 363.413 4.671 5 1 FJBF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)c(C)o1 587644834 CUGRZEIOGMFPHF-UHFFFAOYSA-N 352.268 4.536 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152296 UMEDKGJVCBVATI-BWTSREIZSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587044583 ZGUSSCLFNREJRI-UHFFFAOYSA-N 373.459 4.529 5 1 FJBF Cc1c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cccc1[N+](=O)[O-] 587260893 KYJGWBMAEXYBRD-UHFFFAOYSA-N 357.369 4.678 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccccc1)C2 28825402 GNQCCPIYKSBVEZ-CBQGHPETSA-N 365.497 4.600 5 1 FJBF CCN(CC)c1cc2oc3cc(=[N+](CC)CC)ccc-3nc2c2ccccc12 4737553 FZTLKNOZZHBRBI-UHFFFAOYSA-N 374.508 4.744 5 1 FJBF Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)Cc2nc3ccccc3[nH]2)cc1 96922635 FIKHWZYFIDUZRG-UHFFFAOYSA-N 372.428 4.986 5 1 FJBF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587111753 AWBSFNMMBUZLFA-VIFPVBQESA-N 367.302 4.975 5 1 FJBF Cc1ccc2c(c1)sc1c(=O)n(CCCN(C)C)c3ccccc3c12 27521356 NNSSEUMRYLEBBM-UHFFFAOYSA-N 350.487 4.630 5 1 FJBF Cc1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878839 FGQWNNAMIGUOPD-UHFFFAOYSA-N 373.368 4.812 5 1 FJBF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587645301 OZLIHBAVDYTUNT-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF COc1c2c(cc3oc(=O)c4c5cccc(O)c5oc4c13)OC(C)(C)C=C2 15251800 WXXBWKZFEQJHCJ-UHFFFAOYSA-N 364.353 4.591 5 1 FJBF biogenic C[N+]1(C)[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800507 ISWOZYSXNVNFIH-PMACEKPBSA-N 358.452 4.841 5 1 FJBF O=[N+]([O-])c1cc2nc([C@H]3SCCc4sccc43)[nH]c2cc1Cl 587037848 ZKSYHKWUAQJOKC-ZDUSSCGKSA-N 351.840 4.565 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2cc1Cl 587108919 JFOYVXRVVJJHPU-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF Cc1ccc(-c2nc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(C)s2)cc1 587012950 PAQNZDTXQTYFQO-UHFFFAOYSA-N 350.403 4.878 5 1 FJBF CN(C)c1ccc2c(-c3ccccc3)c3ccc(=[N+](C)C)cc-3sc2c1 38346243 XCNNTOFZVRCYDB-UHFFFAOYSA-N 359.518 4.771 5 1 FJBF Cn1c2c3cc([N+](=O)[O-])ccc3nc-2cc2cc(Br)ccc21 136097464 NDXPBXBTCLVYQH-UHFFFAOYSA-N 356.179 4.502 5 1 FJBF COc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(OC)c1C 587786164 DELNTXYHXYVTCQ-UHFFFAOYSA-N 370.412 4.652 5 1 FJBF Cc1ccc(OCCOc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 66113802 SUZAMSKTUNAVAS-UHFFFAOYSA-N 366.373 4.548 5 1 FJBF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 587631636 RJTZVSHOXYYQAO-UHFFFAOYSA-N 362.744 4.534 5 1 FJBF Clc1ccc2c(c1)C[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 587081445 WLYXXHAJQADBLB-MRXNPFEDSA-N 372.815 4.989 5 1 FJBF CCOc1cc2cnc3c4cc(OC)c(OC)cc4ccc3c2cc1OC 1629549 WUZPDVYKQBJBLE-UHFFFAOYSA-N 363.413 4.966 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1F 587139397 JKINPSURJLYCHY-UHFFFAOYSA-N 361.547 4.632 5 1 FJBF COc1ccc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 40861325 QBRBRYXYAAAOJP-UHFFFAOYSA-N 374.296 4.682 5 1 FJBF O=C1C[C@H](c2ccnc3c([N+](=O)[O-])cccc23)Oc2c1ccc1c2CCCC1 587511679 IBAWZZFKTOUBPY-HXUWFJFHSA-N 374.396 4.728 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587461545 KWCKIRLTOOSCTC-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF Cc1ccc2oc(=O)c3c(oc4ccc5c(c43)CN(CC3CC3)CO5)c2c1 1772623949 HZZXOQQDSMQUBJ-UHFFFAOYSA-N 361.397 4.563 5 1 FJBF O=[N+]([O-])c1ccc(-c2cn3nc(-c4c[nH]c5ccccc45)sc3n2)cc1 1857557948 JPESEOFLTAYBMZ-UHFFFAOYSA-N 361.386 4.514 5 1 FJBF CCOc1cc2c(cnc3c4cc(OC)c(OC)cc4ccc23)cc1OC 1629532 RSHWJQCEUMDEJZ-UHFFFAOYSA-N 363.413 4.966 5 1 FJBF O=c1c(O)c(-c2ccc(N3CCCC3)cc2)oc2c1ccc1ccccc12 102899854 GOMGWQZJNXSMQS-UHFFFAOYSA-N 357.409 4.919 5 1 FJBF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645083 URVMQHZGTCGANW-UHFFFAOYSA-N 365.172 4.677 5 1 FJBF Cc1ccc(-c2nc(N)c3nc4c(Cl)ccc(Cl)c4nc3n2)cc1F 96915910 BWNNCSOTRDYHQP-UHFFFAOYSA-N 374.206 4.577 5 1 FJBF CC1(C)COc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cccc21 586910938 DCTJVWODHXGEMC-UHFFFAOYSA-N 366.424 4.996 5 1 FJBF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cncc([N+](=O)[O-])c2[nH]1 587011735 JSYJTYFTWMOYNG-UHFFFAOYSA-N 371.809 4.618 5 1 FJBF CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279538 KOASCBLZFXRYDQ-GOSISDBHSA-N 353.374 4.998 5 1 FJBF CC/C(=C\c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(C)cc1 587966038 HCQQXGPQURUODL-XYOKQWHBSA-N 352.350 4.638 5 1 FJBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)NC3CCCC3)ccc21 169326779 HONCQUHMIVQMJU-UHFFFAOYSA-N 362.473 4.627 5 1 FJBF Cc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1[N+](=O)[O-] 587032671 MQKFDPKOFNIRKN-UHFFFAOYSA-N 364.430 4.787 5 1 FJBF O=[N+]([O-])c1cccc2c1nc(Nc1c(Cl)cccc1Cl)c1cncn12 26569377 PAFSZINPBPSLBT-UHFFFAOYSA-N 374.187 4.841 5 1 FJBF CCc1nc2c(C)ccc3c2c(c1C[C@H](C)[N+](=O)[O-])-c1ccccc1C3=O 587096396 AEXDGYWPTICFHI-ZDUSSCGKSA-N 360.413 4.525 5 1 FJBF O=C(c1cc(Cl)nc2ccccc12)c1coc2cc([N+](=O)[O-])ccc12 587280520 YVBRKRWMDGOZPF-UHFFFAOYSA-N 352.733 4.774 5 1 FJBF C[C@@H]1CC=C[C@@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@@H]2c1cccc([N+](=O)[O-])c1 299813055 PHVLNRZLQDGIAJ-HUJKARHJSA-N 362.429 4.507 5 1 FJBF CCCc1c(O)ccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1Cl)CC2=O 587460433 GCGRCCKPUBAIIH-QGZVFWFLSA-N 361.781 4.613 5 1 FJBF O=C(c1ccc(Cl)cc1)c1c(C(F)F)[nH]c2cc([N+](=O)[O-])ccc12 587646356 PRHRREOKFJJAPC-UHFFFAOYSA-N 350.708 4.898 5 1 FJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC=CC3 43022142 YYFUIDNQTIPGRU-UHFFFAOYSA-N 363.420 4.716 5 1 FJBF Clc1ccc2c(c1)C[C@@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)O2 587081745 ZQGYSVPLZKXEEE-FQEVSTJZSA-N 372.815 4.989 5 1 FJBF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645427 UMRBGGHJHXQMMA-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF CC1=C[C@@H](C)[C@@H](CN(CCC[N+](C)(C)C)C(=O)Nc2ccccc2)[C@@H](C)C1 169312982 BUAJNOTVFDETEE-RZUBCFFCSA-O 372.577 4.855 5 1 FJBF CCCCCC[N+]1(CCCCCC)C[n+]2c(C)cc(C)c(C(=O)O)c2N1 2382241338 CTUJHACLFMRKJZ-UHFFFAOYSA-P 363.546 4.565 5 1 FJBF CC[C@H](C)c1cc(C=O)cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)oc12 1857644743 WVVXKXRKKVXFFR-LBPRGKRZSA-N 351.358 4.898 5 1 FJBF OCCOc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 95558699 DETHYJAXAOHGCR-UHFFFAOYSA-N 354.409 4.907 5 1 FJBF CC(C)(C)c1ccc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587047793 NLRWCVFMSHYDDW-UITAMQMPSA-N 356.813 4.987 5 1 FJBF Cc1cc(F)ccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73159078 KXRZQMBZXHBNTQ-UHFFFAOYSA-N 370.391 4.759 5 1 FJBF O=C1Nc2c(sc3ccc(Cl)cc23)[C@@H](c2cccc([N+](=O)[O-])c2)N1 1857559330 BEEPBHRRPPQJTG-CYBMUJFWSA-N 359.794 4.687 5 1 FJBF COc1ccc(-c2nnc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)cc1 103211822 DOHGIZCBVZJOAT-UHFFFAOYSA-N 363.329 4.580 5 1 FJBF O=C(Cc1ccc(Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587071483 LBNXYBGZNDBLIZ-UHFFFAOYSA-N 372.815 4.738 5 1 FJBF CCN1CCc2c(sc3ccccc23)[C@@H](c2cccc([N+](=O)[O-])c2)C1 13781861 KUJMJVJTQWVBSI-GOSISDBHSA-N 352.459 4.819 5 1 FJBF NCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12 95572997 NGYHAHAYOIPDSL-UHFFFAOYSA-N 370.250 4.609 5 1 FJBF CC(C)(C)c1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccc(F)cc1F 587646031 QPJKGRFZCSJJES-UHFFFAOYSA-N 373.359 4.904 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1F 587139669 OSZIFBIKDAHYCU-UHFFFAOYSA-N 361.547 4.632 5 1 FJBF Cc1ccc([N+](=O)[O-])c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511465 QBHGQFRGRVUBLJ-NRFANRHFSA-N 351.402 4.663 5 1 FJBF O=[N+]([O-])c1ccc(C2=NO[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 84730907 JWDKILRIGFAIMS-QGZVFWFLSA-N 353.765 4.662 5 1 FJBF FC(F)(F)c1cccnc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587108674 OPNALTHSRVCCGZ-UHFFFAOYSA-N 365.318 4.740 5 1 FJBF CN(CCCOc1ccc2c(c1)oc(=O)c1ccccc12)Cc1ccccc1 221962281 VWMVVTZSFRCBOF-UHFFFAOYSA-N 373.452 4.847 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1F 587139943 UDBVVPSCOBITIY-UHFFFAOYSA-N 361.547 4.632 5 1 FJBF Oc1ccc2cc(-c3nc4ccccc4[nH]3)c3nc4ccccc4n3c2c1 1511560 OYIQMGCLJSASEW-UHFFFAOYSA-N 350.381 4.890 5 1 FJBF c1ccc(C[N@+]23CCc4cc5c(cc4[C@@H]2Cc2ccccc2C3)OCO5)cc1 253639870 WADSZSZAXANUOR-OZXSUGGESA-N 370.472 4.786 5 1 FJBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)cc1Br 587278986 CKEWFHYJFMAGEN-UHFFFAOYSA-N 360.163 4.643 5 1 FJBF COc1ccc2c(c1OC)[C@@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 40568006 HXLUHMRPCPJSHC-OAQYLSRUSA-N 362.493 4.773 5 1 FJBF O[C@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@H]2O[C@H]2[C@H]1O 195434543 WVRJTJXJEXHJBK-XQUALCHDSA-N 352.389 4.585 5 1 FJBF FC(F)(F)[C@@](F)(Cl)c1nc2c3cccnc3c3ncccc3c2[nH]1 587090587 SBEIOLFGHDKLJM-CQSZACIVSA-N 354.694 4.583 5 1 FJBF O=[N+]([O-])c1cnn(-c2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)c1 587631499 OIUZTOJVARYZTP-UHFFFAOYSA-N 356.744 4.721 5 1 FJBF CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3=O 5839302 MKBYRMKWMBPATP-UHFFFAOYSA-N 367.408 4.723 5 1 FJBF O=C1C[C@H](c2cc(Cl)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587502654 SHDITHFKWLUOOV-GOSISDBHSA-N 357.793 4.834 5 1 FJBF O=[N+]([O-])c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148336 BIQSKLYAQOLTBY-SFHVURJKSA-N 362.364 4.812 5 1 FJBF O=C1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587503940 HLLZHGQOZXRCEK-SFHVURJKSA-N 357.793 4.834 5 1 FJBF CCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(C(F)(F)F)cc1 587646170 KUVVIYFJNGHVKW-UHFFFAOYSA-N 362.307 4.888 5 1 FJBF COc1cc2oc3c(Cl)c(OC)cc(C)c3c(=O)c2c(OC)c1Cl 2356850992 QCVBBEYCXWJERE-UHFFFAOYSA-N 369.200 4.587 5 1 FJBF O=[N+]([O-])c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)cc1 5933290 AVCDEWJXZNTXSR-UHFFFAOYSA-N 356.596 4.953 5 1 FJBF Cc1cc2c3[nH]c4cc(OCc5ccccc5)ccc4c3cc[n+]2nc1C 26577497 HKYOKSQMBWTRFB-UHFFFAOYSA-O 354.433 4.651 5 1 FJBF Cc1cccc(C)c1-n1c(=O)c2nc3ccccc3nc2c2ccccc21 206052289 FNZNRXHJMNYHGI-UHFFFAOYSA-N 351.409 4.704 5 3 FJBF O[C@@H](c1cccnc1Cl)c1nc2ccccc2c2ccnc(Cl)c12 6583921 ZGYVIEJKFBVLEH-INIZCTEOSA-N 356.212 4.567 5 1 FJBF Cc1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2cc1[N+](=O)[O-] 586980510 UZKVIKORZKDPOZ-UHFFFAOYSA-N 366.602 4.862 5 1 FJBF CC(C)(CO)[C@@H]1C[C@H](Sc2ccccc2)c2cc([N+](=O)[O-])ccc2N1 13919821 RMHWLUAJWVIAPO-ROUUACIJSA-N 358.463 4.631 5 1 FJBF CCc1ccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1Br 586976782 HKVRITKFHLGOOR-UHFFFAOYSA-N 364.174 4.602 5 1 FJBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c(C)cc(Cl)cc12 587627092 NRQICUFRUURJLK-UHFFFAOYSA-N 358.781 4.882 5 1 FJBF CCN(CC)CCNCc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1 27202062 JSACRLHHNJWESO-UHFFFAOYSA-N 374.532 4.918 5 1 FJBF Cc1cc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878825 FEDULDKITBKCEO-UHFFFAOYSA-N 373.368 4.812 5 1 FJBF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644983 SUTLWODAJGUQJS-UHFFFAOYSA-N 358.781 4.759 5 1 FJBF CC[C@H](C)Nc1ncc(-c2nc(C)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 82174689 RLABMHIXYIRKJZ-NSHDSACASA-N 367.409 4.534 5 1 FJBF Cc1cc([N+](=O)[O-])ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587510409 ALOBYGVWWUIBJK-OAQYLSRUSA-N 351.402 4.663 5 1 FJBF O=C(O)c1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccc(Cl)c(Cl)c1 587645108 VQPXAIGOQLQPNI-UHFFFAOYSA-N 351.145 4.748 5 1 FJBF O=[N+]([O-])c1cccc2c(Oc3cccc(C(F)(F)F)c3)cc(O)nc12 299864312 MCJZSXVYAZGTNS-UHFFFAOYSA-N 350.252 4.660 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3ccc(O)cc3[nH]2)cc([N+](=O)[O-])c1 587136481 IWKGCZVCEUELLK-UHFFFAOYSA-N 363.348 4.958 5 1 FJBF O=[N+]([O-])c1cc(F)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587160093 GHZRYDKXVMOHGJ-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@H]1C3 14824827 RFPUTOSCASFEEO-AWEZNQCLSA-N 363.457 4.539 5 1 FJBF biogenic O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(Cl)cc2[nH]1 587108983 FFHCUGVTLAHLFY-UHFFFAOYSA-N 355.703 4.734 5 1 FJBF COc1c(F)ccc(F)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 587133393 UZFLOWYOQKJUIF-UHFFFAOYSA-N 362.339 4.613 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)o1 587265195 PPQWEZZPPLJNEY-UHFFFAOYSA-N 374.278 4.812 5 1 FJBF CCN(CC)CCSc1c2cc(OC)ccc2nc2ccc(OC)cc12 5582577 FTXHPXJPAANONC-UHFFFAOYSA-N 370.518 4.839 5 1 FJBF COc1c(F)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1F 587135211 VDKLYKQULGIKOT-UHFFFAOYSA-N 362.339 4.613 5 1 FJBF CCOC(=O)c1cc2c3ccn(Cc4ccccc4)c3c3c(C)noc3c2[nH]1 1654364 JUTKKXSXDZYZBT-UHFFFAOYSA-N 373.412 4.797 5 1 FJBF Cc1ncc2c(n1)c(Nc1cccc(Cl)c1)nc1cc(C(=O)O)ccc12 66112430 YIYHYBQXZRHMJC-UHFFFAOYSA-N 364.792 4.582 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc3ncccc3c2[nH]1 587109862 ONSOGDAMAWLZHB-UHFFFAOYSA-N 372.306 4.629 5 1 FJBF C[C@@H](Oc1ccc(F)cc1Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280555 ZYAUYSFVBXITEQ-SECBINFHSA-N 363.728 4.784 5 1 FJBF CCCN1[C@@H](C)Cc2ccccc2[C@]1(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963258042 NEPUDXUHHYLIKN-YCRPNKLZSA-N 374.431 4.955 5 1 FJBF O=C1C[C@H](c2ccc([N+](=O)[O-])cc2Cl)Oc2c1ccc1c2CCCC1 587501731 CWKIKOVEMNMXHO-GOSISDBHSA-N 357.793 4.834 5 1 FJBF NCCOc1ccc(C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 1857558682 YFCICCKRZQUXAX-UHFFFAOYSA-N 358.397 4.502 5 1 FJBF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c([N+](=O)[O-])cccc2[nH]1 587066837 SHROMJOVMMTDTQ-UHFFFAOYSA-N 352.781 4.891 5 1 FJBF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587644250 RLBMNJVYUMEUPO-UHFFFAOYSA-N 359.179 4.708 5 1 FJBF COC(=O)[C@H](c1ccc(OC)cc1)c1c2ccccc2nc2ccccc12 26816024 KBQGRULKAIRHCV-OAQYLSRUSA-N 357.409 4.702 5 1 FJBF COc1c2c(cc3oc(=O)c4c5ccc(O)cc5oc4c13)OC(C)(C)C=C2 33831315 YURHIASRSSMERJ-UHFFFAOYSA-N 364.353 4.591 5 1 FJBF biogenic,in-vitro O=c1c2ccccc2n(CCCN2CCCCC2)c2ccc(Cl)cc12 29037553 BLCYNSSSSGKXKD-UHFFFAOYSA-N 354.881 4.684 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c(-c3cc(OCc4ccccc4)ccc3CO)cc2c1 35878134 NIRRLDQDRLQZMR-UHFFFAOYSA-N 374.396 4.814 5 1 FJBF O=c1c2ccccc2oc2cc(O)c(-c3c(O)ccc4ccccc34)c(O)c12 72181547 JNSZARMDMHCBSI-UHFFFAOYSA-N 370.360 4.883 5 1 FJBF O=C(c1c(-c2ccccc2F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)F 587645067 JTOMRIXGQGWUHG-UHFFFAOYSA-N 352.243 4.627 5 1 FJBF O=[N+]([O-])c1cccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc32)c1 5933134 UUUNUJKWUPNNIC-UHFFFAOYSA-N 356.596 4.953 5 1 FJBF O=[N+]([O-])c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 103970923 WAQQTYBLNGPSOE-IBGZPJMESA-N 360.373 4.616 5 1 FJBF Cc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512400 XIQRJHBLOPVGJT-JOCHJYFZSA-N 365.429 4.749 5 1 FJBF O=C(c1c(-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)Cl 587644697 AYIQWFACWKGBIA-UHFFFAOYSA-N 368.698 4.897 5 1 FJBF CC[C@H](c1ccc([N+](=O)[O-])c(O)c1)[C@H](CC)c1ccc([N+](=O)[O-])c(O)c1 27656221 SKSJXRNTISGENT-ZIAGYGMSSA-N 360.366 4.602 5 1 FJBF Cc1c(-c2nc3ccc(Cl)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586979296 ANXVPCXFMZMIDP-UHFFFAOYSA-N 366.602 4.862 5 1 FJBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)C(F)(F)F 587645367 SJIXUXNFBDGJHX-UHFFFAOYSA-N 364.270 4.754 5 1 FJBF CC[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(OC)cc1)n1ccnc1 28240042 GSZYHKDDFOVVFV-UXHICEINSA-N 351.406 4.583 5 1 FJBF CCc1cc(OCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Cl 587052795 NAEFOIKXJQSZET-UHFFFAOYSA-N 366.204 4.919 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccc(F)cc3c3ncccc13)O2 587386328 XKZOEFGRSQEJKP-LJQANCHMSA-N 373.387 4.519 5 1 FJBF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 587955180 LSWLTTHPRJCWSZ-UHFFFAOYSA-N 374.238 4.868 5 1 FJBF C[C@@H](COC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 45496469 GKAJQAONRDPCLI-NSHDSACASA-N 350.827 4.765 5 1 FJBF Cc1c(CCc2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587643942 KZHMVJGNXCZZET-UHFFFAOYSA-N 359.223 4.932 5 1 FJBF NCCOc1cccc(C=C2c3ccccc3-c3ccc([N+](=O)[O-])cc32)c1 1857589812 XEXNIJNFCSCXGZ-UHFFFAOYSA-N 358.397 4.502 5 1 FJBF COc1ccc(-c2csc3c2[N+]2(C)C=CC=C2[C@@H]3N2CCCC2)cc1 31871193 AOMXUERMDCAJHH-HSTJUUNISA-N 351.495 4.923 5 1 FJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2Cl)Oc2c1ccc1c2CCCC1 587501732 CWKIKOVEMNMXHO-SFHVURJKSA-N 357.793 4.834 5 1 FJBF CC(=O)n1c2ccccc2c2ccnc(/C=C/c3ccc([N+](=O)[O-])cc3)c21 40901282 UQJJNIDHSWOUSV-DHZHZOJOSA-N 357.369 4.928 5 1 FJBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OCC(F)(F)F)cc1 587646187 LGBPZLMSEZLUNH-UHFFFAOYSA-N 350.296 4.993 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccc([N+](=O)[O-])c1)O2 587388879 HDCJOQUOKLUSJO-OAQYLSRUSA-N 374.396 4.859 5 1 FJBF Cc1cc(N(C)Cc2nc3cccc(C(C)(C)C)c3[nH]2)c([N+](=O)[O-])cc1F 587136423 FOZVAWRLJYLUIW-UHFFFAOYSA-N 370.428 4.853 5 1 FJBF Cc1c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cccc1[N+](=O)[O-] 587261134 VQJYWZMQLCEVMF-UHFFFAOYSA-N 360.211 4.826 5 1 FJBF CC1(C)CCC(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 587963760 SIXOMEMEZBZCOZ-UHFFFAOYSA-N 366.259 4.993 5 1 FJBF NC(=O)c1cc2c(ccc3ccccc32)o/c1=N/c1ccc(F)c(Cl)c1 1514150 JDWDJEGAZCIBRO-HIXSDJFHSA-N 366.779 4.710 5 1 FJBF CCC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 64633624 OVDHXXNKOQAGFQ-UHFFFAOYSA-N 354.514 4.628 5 1 FJBF in-vitro Cc1c(F)ccc2c1[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)NCC2 962147798 QMSGNORPTCNRRO-QFIPXVFZSA-N 362.404 4.944 5 1 FJBF NCCCCNCCCCCNCc1c2ccccc2cc2ccccc12 13522115 OQHFEZBPEPFPNE-UHFFFAOYSA-N 363.549 4.581 5 1 FJBF COc1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 586972982 KXSOTTJYFDNODB-UHFFFAOYSA-N 357.435 4.895 5 1 FJBF CCc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)c1ccc(Br)cc1 587644191 PJBOTBIUXSYHHL-UHFFFAOYSA-N 373.206 4.632 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587951077 VWTGHKQGAKPSLN-ZHACJKMWSA-N 358.357 4.829 5 1 FJBF CC(C)(C)NCCCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1 1857562963 NIOQXNVLQPWESG-UHFFFAOYSA-N 374.431 4.507 5 1 FJBF O=c1c2ccccc2n(CCCCN2CCCC2)c2ccc(Cl)cc12 29037575 CJQVTWKRLOEISU-UHFFFAOYSA-N 354.881 4.684 5 1 FJBF CCO[C@@H](C)c1nc(C)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)s1 587015088 WXJAPQULMXASFS-QMMMGPOBSA-N 366.830 4.654 5 1 FJBF O=C(O)c1cc2c(Nc3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2[nH]1 103244229 ALOWQADTHIOASP-UHFFFAOYSA-N 365.267 4.537 5 1 FJBF COc1cc2oc3c(OC)cc4c(=O)ccc5ccc(c2cc1OC)c3c54 238737794 QVBIFRCFOSAWOL-UHFFFAOYSA-N 360.365 4.716 5 1 FJBF COc1ccc(-c2csc3c2[N@+]2(C)C=CC=C2[C@H]3N2CCCC2)cc1 254073906 AOMXUERMDCAJHH-AUSIDOKSSA-N 351.495 4.923 5 1 FJBF Cc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1C(F)(F)F 587095117 QBFOUUNQFWXREL-UHFFFAOYSA-N 353.275 4.528 5 1 FJBF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)OCc1ccc([N+](=O)[O-])cc1 587626383 GEZHBWKIXYCNLU-UHFFFAOYSA-N 358.781 4.703 5 1 FJBF O=[N+]([O-])c1cc(Br)cc(-c2cc3c4c(cccc4n2)CC3)c1 587208531 TWFZZCGEFHJMOX-UHFFFAOYSA-N 355.191 4.671 5 1 FJBF C=C(c1cc(OC)cc(OC)c1)c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 1857745883 CBEOPSJWRFOPKP-UHFFFAOYSA-N 369.295 4.572 5 1 FJBF Cc1ccccc1C(O)(C[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1C 103233980 NSBBSEOLGKYCEK-KOUNCHBCSA-N 364.553 4.947 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587082690 BHZVQEBHXGDXOO-UHFFFAOYSA-N 359.172 4.993 5 1 FJBF O=C(OCCC1CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82086375 MWSKVOWOJZXPLF-UHFFFAOYSA-N 360.435 4.846 5 1 FJBF Cc1cc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2cc1[N+](=O)[O-] 587052936 UTBYBROKHYOLPY-UHFFFAOYSA-N 352.781 4.891 5 1 FJBF O=[N+]([O-])c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587148296 AXRXJEMGZQLEFP-IBGZPJMESA-N 362.364 4.812 5 1 FJBF c1ccc2nc3cc4[nH]c(C[C@@H]5OCCc6ccsc65)nc4cc3nc2c1 587035873 VIMDOYWQQLJTCE-IBGZPJMESA-N 372.453 4.577 5 1 FJBF Cc1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cccc1[N+](=O)[O-] 587261065 RLMRSVKQIIGYPK-UHFFFAOYSA-N 366.602 4.862 5 1 FJBF Cc1ccc([C@]2(C(F)(F)F)NCCc3c2sc(C)c3C)cc1[N+](=O)[O-] 963029421 USSPVPHDMGFEBN-INIZCTEOSA-N 370.396 4.533 5 1 FJBF O=[N+]([O-])c1cccc2c1NC[C@H]1C2=NN(c2ccccc2)[C@@H]1c1ccccc1 1772647346 ANPAOVBAIMJBDJ-PGRDOPGGSA-N 370.412 4.602 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCSC(c1ccccc1)c1ccccc1 13646334 VMWDSEAJSUHMKI-UHFFFAOYSA-N 353.447 4.623 5 1 FJBF c1cnc2c(c1)c1nc(-c3csc([C@H]4CCCO4)n3)[nH]c1c1cccnc12 587015720 ABTSZJCQBIISBW-CQSZACIVSA-N 373.441 4.634 5 1 FJBF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1 587642795 OTYXSBIEYSWIEO-GTJPDFRWSA-N 368.433 4.988 5 1 FJBF CCc1ccc2nc(NC(=S)Nc3cccc([N+](=O)[O-])c3)sc2c1 653719870 ABSIKMGMCWUIPA-UHFFFAOYSA-N 358.448 4.576 5 1 FJBF CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 103246262 QSERTEBXUBWYIA-KRWDZBQOSA-N 364.338 4.972 5 1 FJBF c1cnc2c(c1)c1nc(C[C@H]3OCCc4ccsc43)[nH]c1c1cccnc12 587034916 JLKWLEQTCZEOMU-OAHLLOKOSA-N 372.453 4.577 5 1 FJBF O=[N+]([O-])c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1 13761867 KFMKDAFANAIVEZ-UHFFFAOYSA-N 351.259 4.605 5 1 FJBF O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2[N+](=O)[O-])[N@]1C1CCCCC1 1857623777 OFIHBIHVNYDAGB-URVUXULASA-N 350.418 4.536 5 1 FJBF CCOc1ccccc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587780604 VNSLIOIEHXTPKJ-UHFFFAOYSA-N 370.412 4.637 5 1 FJBF COc1cccc(-c2cc(O)cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)c1 587933159 LCPUZACDEVDXEO-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF O=C1C[C@@H](c2ccc3cccc([N+](=O)[O-])c3n2)Oc2c1ccc1c2CCCC1 587511313 FWZLCRZEUYFPBR-FQEVSTJZSA-N 374.396 4.728 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(Br)c3[nH]2)c1F 587139430 KAXXUMVKPQUXQZ-UHFFFAOYSA-N 370.565 4.693 5 1 FJBF O=[N+]([O-])c1cccc(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587270244 KUKYBUMAQVABHR-UHFFFAOYSA-N 373.412 4.835 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c3nccc(NCc4cccc(Cl)c4)c3c2c1 1857763563 VCDSHKSQYBUJEG-UHFFFAOYSA-N 352.781 4.890 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCS[C@@H](c1ccccc1)c1cccc(F)c1 28469109 ADDKPQKZFXXXDW-IBGZPJMESA-N 371.437 4.762 5 1 FJBF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@@H]1c1cccc([N+](=O)[O-])c1 100665498 VZLQGKDGWRSDGQ-GROYHEBESA-N 356.403 4.950 5 1 FJBF CCC[C@@H]1CC(=O)Oc2c1c1c(c3oc([N+](=O)[O-])cc23)C=CC(C)(C)O1 169342983 GNMDNNXZYYOPKP-SNVBAGLBSA-N 357.362 4.718 5 1 FJBF COC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2ccccc12 26818912 WCIYXANHYASICQ-FQEVSTJZSA-N 372.380 4.601 5 1 FJBF Cc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 587512401 XIQRJHBLOPVGJT-QFIPXVFZSA-N 365.429 4.749 5 1 FJBF O=C(O)c1ccccc1/C=C/c1nc2c3cccnc3c3ncccc3c2[nH]1 586880177 OKMBAFQQSCZBHZ-MDZDMXLPSA-N 366.380 4.528 5 1 FJBF O=C(Nc1cccc(Br)c1)Nc1cc(Cl)ccc1[N+](=O)[O-] 13586813 SDDAUARQYMNCKA-UHFFFAOYSA-N 370.590 4.655 5 1 FJBF COc1ccc(C[C@@H]2c3c(cccc3C(C)C)CC[N+]2(C)C)cc1OC 13648590 UUUSUENFPYRGLJ-HXUWFJFHSA-N 354.514 4.744 5 1 FJBF Cc1cc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2cc1[N+](=O)[O-] 587076520 VRCSXISOGQIKSD-UHFFFAOYSA-N 367.796 4.594 5 1 FJBF O=[N+]([O-])c1cc(Cl)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1F 587139324 HKAYRDKVRRXEAM-UHFFFAOYSA-N 359.666 4.949 5 1 FJBF O=[N+]([O-])c1cc([N+](=O)[O-])c2ccc(/C=C/c3ccc(Cl)cc3)nc2c1O 28957931 RVKGWPGELHTDQD-ZZXKWVIFSA-N 371.736 4.581 5 1 FJBF COc1ccc2c(c1OC)[C@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 40568004 HXLUHMRPCPJSHC-NRFANRHFSA-N 362.493 4.773 5 1 FJBF Cc1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)oc2c1[C@H](O)CCC2 586903497 KQBNOOMSSDJNGG-GOSISDBHSA-N 370.412 4.597 5 1 FJBF NCCOc1ccccc1C=C1c2ccccc2-c2ccc([N+](=O)[O-])cc21 1857543293 BJIFXXDQMBHYKG-UHFFFAOYSA-N 358.397 4.502 5 1 FJBF C[C@@H](Oc1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587169528 YKPFSOCXKPKLDV-GFCCVEGCSA-N 358.376 4.938 5 1 FJBF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cccc([N+](=O)[O-])c12 587648697 JZFHNXLFSWOABW-HNNXBMFYSA-N 359.426 4.847 5 1 FJBF COc1ccc2c(c1)oc1c(O)c3c(oc4ccc(OC)cc43)c(O)c12 85637382 VQKWLEQHKOZURS-UHFFFAOYSA-N 350.326 4.914 5 1 FJBF biogenic CCc1ccc(C(=O)CCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 587955440 JVZQJDCXQRNJMI-UHFFFAOYSA-N 357.797 4.502 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1SC1CCCCC1 40861976 SXGNKJXSOZMJRS-UHFFFAOYSA-N 350.318 4.947 5 1 FJBF CCCN1CCC(COc2nc3ccc(OC)cc3c3ccccc23)CC1 95574645 UNTKPDCHLNXXQO-UHFFFAOYSA-N 364.489 4.897 5 1 FJBF O=C1C[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2O)Oc2c1ccc1c2CCCC1 587500065 LLEBTGWEXHNDPI-KRWDZBQOSA-N 373.792 4.539 5 1 FJBF CCCN1CCc2c(c3cc(OC)ccc3c3cc(OC)c(OC)cc23)C1 95572893 QHMDDSAWORCLLW-UHFFFAOYSA-N 365.473 4.787 5 1 FJBF Nc1cccc(C(=O)O)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587249842 KOCITEVVVDNAMC-UHFFFAOYSA-N 353.381 4.817 5 1 FJBF O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587644973 GNKZYSOPNRYNSF-UHFFFAOYSA-N 368.698 4.979 5 1 FJBF O=C(c1cnc(Nc2cccc([N+](=O)[O-])c2)s1)c1ccccc1Cl 473129054 FHEGTCZYVXNNJC-UHFFFAOYSA-N 359.794 4.679 5 1 FJBF O=[N+]([O-])c1cccc(-c2ccc([C@H]3CC(c4ccc(Cl)cc4)=NN3)o2)c1 6018844 YSCLRLYWQWXUPT-QGZVFWFLSA-N 367.792 4.947 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cncc(Cl)c2[nH]1 586968300 BZOFVVINWUAANO-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2cc(Cl)c(F)cc12 587631801 VAVJKMXTKPIPDS-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)cc1C 587645015 HMUGQYHUAVHZAA-UHFFFAOYSA-N 362.307 4.943 5 1 FJBF CCc1nc2c(C)ccc3c2c(c1C[C@@H](C)[N+](=O)[O-])-c1ccccc1C3=O 587096391 AEXDGYWPTICFHI-CYBMUJFWSA-N 360.413 4.525 5 1 FJBF O=C(O)c1cc([N+](=O)[O-])ccc1Nc1ccc(CCc2ccccc2)cc1 40935016 CJEIRWQLNMMBHR-UHFFFAOYSA-N 362.385 4.822 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc([N+](=O)[O-])c2[nH]1 586972550 IFKMBCQBAMACKT-UHFFFAOYSA-N 372.406 4.794 5 1 FJBF COc1cc(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c([N+](=O)[O-])cc1OC 587631125 HECZQGJARSDXAM-UHFFFAOYSA-N 364.760 4.861 5 1 FJBF O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3 835648 WFUKWKOBAPLGDT-UHFFFAOYSA-N 369.449 4.808 5 1 FJBF O=[N+]([O-])c1cncc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587129366 XBVTUHLSTSNEIP-UHFFFAOYSA-N 373.344 4.594 5 1 FJBF Cc1c(F)ccc2c1[C@@]1(CCCC[C@H]1c1ccc([N+](=O)[O-])cc1)NCC2 962302523 TVNZGIAKTQGDNL-RXVVDRJESA-N 354.425 4.741 5 1 FJBF CC1(C)C[C@](CCNc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CCO1 72109404 MRNIYWPXONCHFK-OAQYLSRUSA-N 354.450 4.924 5 1 FJBF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587149055 COEWTLVKEZCDFX-SSDOTTSWSA-N 353.712 4.543 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Cl 587048612 XQLAOWUTXLWVEX-RQOWECAXSA-N 371.677 4.851 5 1 FJBF C[C@H](Oc1ccc(F)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587169529 YKPFSOCXKPKLDV-LBPRGKRZSA-N 358.376 4.938 5 1 FJBF O=[N+]([O-])c1ccc2c(-c3ncc[nH]3)c(-c3ccc(Cl)cc3F)[nH]c2c1 587645891 NRZHQEGAKCYTMM-UHFFFAOYSA-N 356.744 4.926 5 1 FJBF Cc1c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cccc1[N+](=O)[O-] 587260855 JBTODKXODDSXQP-UHFFFAOYSA-N 371.702 4.999 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101152164 LPXIRSSTWSVBRH-ACDBMABISA-N 371.526 4.661 5 1 FJBF c1ccc(C[N@+]23CCc4cc5c(cc4[C@H]2Cc2ccccc2C3)OCO5)cc1 253639866 WADSZSZAXANUOR-BVAGGSTKSA-N 370.472 4.786 5 1 FJBF Cc1cccc(OCc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1C 587564502 UOCVDWFWYBKRDW-UHFFFAOYSA-N 354.413 4.855 5 1 FJBF O=[N+]([O-])c1ccc(-c2cc3c(NCc4ccccc4)ncnc3s2)cc1 1857771791 PCXYHTGYKQGCBH-UHFFFAOYSA-N 362.414 4.879 5 1 FJBF C[n+]1ccccc1-c1c2ccccc2c(-c2cccc[n+]2C)c2ccccc12 1911580901 QFJCRJGLRZBGJK-UHFFFAOYSA-N 362.476 4.976 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc3cn[nH]c3cc2[nH]1 586971925 BLAMWQQBHDGAAM-UHFFFAOYSA-N 367.434 4.763 5 1 FJBF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2cc([N+](=O)[O-])ccc12 587649084 PFKCHAPSHRTHEF-MRXNPFEDSA-N 359.426 4.847 5 1 FJBF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 587269026 HMYPCHFOTSURGV-UHFFFAOYSA-N 360.776 4.531 5 1 FJBF O=C(c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 169702025 BXXUGJYCEIAZGL-OAQYLSRUSA-N 371.396 4.586 5 1 FJBF O=C(O)c1ccc2c(c1)nc(Nc1cc(F)cc(F)c1)c1ccncc12 199791615 DQIIAHRXAWQFKS-UHFFFAOYSA-N 351.312 4.503 5 1 FJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccc(Cl)cc1Cl 587644774 NDYNNEPOUTUYAM-UHFFFAOYSA-N 364.188 4.944 5 1 FJBF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2cccc([N+](=O)[O-])c12 587645679 HQAOOULIFUSEBG-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF O=c1cc(CSC(=S)N2CCCC2)c2ccc3ccccc3c2o1 299861298 IECXMAFBSLLRHX-UHFFFAOYSA-N 355.484 4.560 5 1 FJBF CC[C@H](C)c1ccc2[nH]c(C)c([C@H](O)c3cc([N+](=O)[O-])ccc3OC)c2c1 587642798 OTYXSBIEYSWIEO-LAJNKCICSA-N 368.433 4.988 5 1 FJBF COc1cc(O)c2c(c1)oc1c3ccc4c(c3oc(=O)c12)C=CC(C)(C)O4 238730852 YWQIWBOEOZYLKJ-UHFFFAOYSA-N 364.353 4.591 5 1 FJBF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccccc1[N+](=O)[O-])CC2=O 587468085 ANWPFCMOQJGQPE-OAQYLSRUSA-N 369.417 4.610 5 1 FJBF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc([N+](=O)[O-])ccc12 587644796 OFSQYTAKDMKMHZ-UHFFFAOYSA-N 365.172 4.677 5 1 FJBF O=[N+]([O-])c1ccc(OCc2ccsc2)cc1/C=C(/CO)c1ccccc1 13780372 YAGYEYSRBFDVBO-ZDLGFXPLSA-N 367.426 4.768 5 1 FJBF COc1ccc([C@@H](c2ccccc2)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 587937912 RGHRYOODADNIPJ-OAQYLSRUSA-N 373.412 4.968 5 1 FJBF COc1ccc([C@@H](c2ccccc2)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 587938737 ZJQXAYVFQJEUNN-LJQANCHMSA-N 359.385 4.660 5 1 FJBF O=[N+]([O-])c1ccc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2O)cc1 40938391 JUUSSPRCCVECNA-UNZYHPAISA-N 366.373 4.515 5 1 FJBF O=C(O)c1cc2c(Nc3cccc(C(F)(F)F)c3)ccc([N+](=O)[O-])c2[nH]1 103244228 JIUJORAGUALOGE-UHFFFAOYSA-N 365.267 4.537 5 1 FJBF CN(C)CCn1c2ccccc2c2sc3cc(Cl)ccc3c(=O)c21 43020091 AHUYEJBHLVXZFJ-UHFFFAOYSA-N 356.878 4.584 5 1 FJBF COc1cc(Br)cc2nc3cc(Cl)c(Cl)cc3nc12 72108222 DQLYSMRTSNEMBV-UHFFFAOYSA-N 358.022 4.861 5 1 FJBF O=C(CCc1ccccc1Br)c1coc2cc([N+](=O)[O-])ccc12 587279693 ONEYUBBASUUOJU-UHFFFAOYSA-N 374.190 4.919 5 1 FJBF c1ccc(COC[C@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 40762693 PLGKYLWPTNKXFR-QFIPXVFZSA-N 356.425 4.873 5 1 FJBF O=C1C[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587502656 SHDITHFKWLUOOV-SFHVURJKSA-N 357.793 4.834 5 1 FJBF Cc1[nH]nc2c1N=C(c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N2 3927199 UVLBAPBHAHFJSY-UHFFFAOYSA-N 353.769 4.506 5 1 FJBF biogenic COc1cc(CCNC(=O)C=C(C)C)c2[nH]c3ccccc3c3ccnc1c23 103174005 VSRXTBXYVFEZKB-UHFFFAOYSA-N 373.456 4.503 5 1 FJBF biogenic CC(C)(C)CC(=O)Nc1cccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)c1 587241283 ARMXHSXQOCJYTH-UHFFFAOYSA-N 352.394 4.513 5 1 FJBF COc1ccc2c(oc3c4ccc(O)cc4oc(=O)c23)c1CC=C(C)C 49088338 IPNXSQTYICCBKP-UHFFFAOYSA-N 350.370 4.915 5 1 FJBF biogenic O=C(c1ccc(F)cc1)c1c(C(F)(F)Cl)[nH]c2cccc([N+](=O)[O-])c12 587645361 RWWINCDNWVYGTH-UHFFFAOYSA-N 368.698 4.734 5 1 FJBF O=c1c2cnc3c4ccccc4sc3c2[nH]n1-c1ccc(Cl)cc1 137548913 QIMXRGIGYKTFMR-UHFFFAOYSA-N 351.818 4.735 5 1 FJBF CCCN(CCC)c1nc(O)c2c(n1)c(OC)cc1c3ccccc3oc12 653699957 YCTRUPBXOQWTTM-UHFFFAOYSA-N 365.433 4.870 5 1 FJBF O=[N+]([O-])c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@H]3CCC2)c2ccccc12 169718574 VQRZUXKMLXQVAW-CHWSQXEVSA-N 362.385 4.871 5 1 FJBF C[N+](C)=c1ccc2nc3c(cc(Nc4ccccc4)c4ccccc43)oc-2c1 4522689 VMBGRJCPNUZDOL-UHFFFAOYSA-O 366.444 4.861 5 1 FJBF Cc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Cl 587269071 JZYRKYJBVDLVSO-UHFFFAOYSA-N 356.813 4.700 5 1 FJBF O=C(c1c(Cl)cnc(Cl)c1Cl)c1coc2cc([N+](=O)[O-])ccc12 587279801 BALISMWSMCOVMD-UHFFFAOYSA-N 371.563 4.927 5 1 FJBF CCCc1cc(=O)oc2c1c1c(c3oc([N+](=O)[O-])cc32)CCC(C)(C)O1 169342982 YJVXNTQPXSFATO-UHFFFAOYSA-N 357.362 4.504 5 1 FJBF Cc1c(Br)cc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1C 587160273 OWRQKKRUBUUJTE-UHFFFAOYSA-N 364.174 4.657 5 1 FJBF O=C1C[C@H](c2c(O)ccc([N+](=O)[O-])c2Cl)Oc2c1ccc1c2CCCC1 587502842 FWCKUEIABMFAIH-MRXNPFEDSA-N 373.792 4.539 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1F 587083997 QMUGJZBYAAIGAS-UHFFFAOYSA-N 368.755 4.993 5 1 FJBF O=[N+]([O-])c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc4ccccc4n32)cc1 103970918 WAQQTYBLNGPSOE-LJQANCHMSA-N 360.373 4.616 5 1 FJBF Cc1c(CC[C@H](C)[N+](=O)[O-])nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097414 HDBWBGYAKIWDRE-ZDUSSCGKSA-N 360.413 4.661 5 1 FJBF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 587242436 SWJIJUQWAGYFMS-UHFFFAOYSA-N 370.384 4.652 5 1 FJBF Cc1nc(C2CC2)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 587012133 OTHGUJJNOMPALP-UHFFFAOYSA-N 357.442 4.969 5 1 FJBF CCCC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 34630718 IZHWEAMWJAXZAJ-UHFFFAOYSA-N 350.526 4.723 5 1 FJBF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1 587242331 SPPSSOGXLKPXKB-UHFFFAOYSA-N 372.812 4.776 5 1 FJBF O=C(c1cc2cc([N+](=O)[O-])ccc2s1)c1coc2cc([N+](=O)[O-])ccc12 587280827 ZWHSRSGGXSETDU-UHFFFAOYSA-N 368.326 4.695 5 1 FJBF CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccc(F)c(Cl)c12 587630707 AXBVCGMZVVOCIZ-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)cc1 587271895 KRTYPPLWCQIFDN-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc12 73142128 IXLHWDDKCRTAAT-UHFFFAOYSA-N 362.820 4.540 5 1 FJBF FC(F)Oc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 587130103 DYSJGPDMYVNFTN-UHFFFAOYSA-N 362.339 4.928 5 1 FJBF Cc1cnc2[nH]c(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)nc2c1 587136435 GRBTVOZUCSVHIO-UHFFFAOYSA-N 362.364 4.956 5 1 FJBF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]3C[N+](=O)[O-])c1 587363081 NRTBSJIJZPUUNN-CQSZACIVSA-N 374.396 4.963 5 1 FJBF O=C1C[C@@H](c2ccc3ncccc3c2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587513447 SQPFBZMIGHYTJJ-FQEVSTJZSA-N 374.396 4.728 5 1 FJBF CC[C@@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511851 JRDACXMQHYWBSY-NRFANRHFSA-N 351.402 4.744 5 1 FJBF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c([N+](=O)[O-])cccc3[nH]2)cc1 586879506 JSFHWAFOLPRQCS-UHFFFAOYSA-N 373.368 4.812 5 1 FJBF COc1c(N2CCCCC2)c2c(=O)c3ccccc3oc2c2cc(C)oc12 5553003 ZVBXPTZCLHOWTR-UHFFFAOYSA-N 363.413 5.000 5 1 FJBF O=C1C[C@@H](c2ccc3cc([N+](=O)[O-])ccc3n2)Oc2c1ccc1c2CCCC1 587511802 JARYGXBTSYQRJX-NRFANRHFSA-N 374.396 4.728 5 1 FJBF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc([N+](=O)[O-])cc1 198627111 HSRUEZPCQDBAMP-UHFFFAOYSA-N 365.433 4.858 5 3 FJBF CSc1ccc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2c1 587269213 ILVWNHVCSCAYFU-UHFFFAOYSA-N 362.414 4.922 5 1 FJBF O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCO)c1ccccc1-2 1857556147 HJIFEQYIGBKBPY-UHFFFAOYSA-N 359.381 4.535 5 1 FJBF Cc1ccc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2n1 587137331 ZZTTWJPEQGCRKQ-UHFFFAOYSA-N 362.364 4.956 5 1 FJBF O=[N+]([O-])c1cnc(NC2CCCC2)nc1Sc1cccc(Cl)c1 64521306 VGYYLOBDWJQTMQ-UHFFFAOYSA-N 350.831 4.544 5 1 FJBF COc1cc2c3c(c4ccc(O)cc4c2cc1OC)CN1CCCC[C@@H]1C3 211160497 QQVQWZFYCBFODR-CQSZACIVSA-N 363.457 4.626 5 1 FJBF O=C1c2ccccc2-c2cc(-c3cccc(O)c3[N+](=O)[O-])nc3cccc1c23 587105172 REZMHPKSVJIKJE-UHFFFAOYSA-N 368.348 4.727 5 1 FJBF COc1c(F)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1F 587134736 LYUQAYZWQMHPOI-UHFFFAOYSA-N 362.339 4.613 5 1 FJBF O=C(c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587645965 HDVCRHFKQIBJGX-UHFFFAOYSA-N 374.387 4.992 5 1 FJBF FC(F)(F)c1ccc(Cn2c3cccc4cccc(c43)n3cnnc23)cc1 1772656561 IRESICWDRSFBBV-UHFFFAOYSA-N 366.346 4.904 5 1 FJBF O=c1oc2ccccc2c2oc3ccc4c(c3c12)CN(C1CCCC1)CO4 1772655228 NTBOYPQMNGIEQP-UHFFFAOYSA-N 361.397 4.787 5 1 FJBF CCOC(=O)Nc1ccc2cc3ccccc3nc2c1COC(=O)OCC 40763406 ZDYPNCYABMXZKJ-UHFFFAOYSA-N 368.389 4.630 5 1 FJBF CCOc1ccccc1-c1cccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)c1 587780418 SPPNDKFHCWHKSR-UHFFFAOYSA-N 360.373 4.599 5 1 FJBF Cc1ccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)c(C)c1Br 587279907 SYHJXCFUJKVYKD-UHFFFAOYSA-N 374.190 4.951 5 1 FJBF CCOC(=O)c1ccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F 15935073 JAOJEMNUOFOYFR-UHFFFAOYSA-N 361.372 4.664 5 3 FJBF Nc1ccc([N+](=O)[O-])cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104803 JQJQLFFJEXTVGS-UHFFFAOYSA-N 367.364 4.604 5 1 FJBF C[C@@H]1CC=C[C@@H]2[C@@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 299813054 PHVLNRZLQDGIAJ-DOVSJBTNSA-N 362.429 4.507 5 1 FJBF C[C@H](Oc1ccc(F)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 587168823 NPMBVWPHTHCFPM-LBPRGKRZSA-N 358.376 4.938 5 1 FJBF O=C1C[C@H](c2ccc([N+](=O)[O-])c3cccnc23)Oc2c1ccc1c2CCCC1 587514539 ZLHHGHBSBFZBRW-HXUWFJFHSA-N 374.396 4.728 5 1 FJBF O=C(O)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2-c2ccccn2)cc1 587648281 BDXAVKIQHCRYCS-UHFFFAOYSA-N 359.341 4.503 5 1 FJBF CN(c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)nc2ccccc12 1857564059 UZONLOJYDPWYHO-UHFFFAOYSA-N 356.385 4.973 5 1 FJBF Cn1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C(F)(F)F)c1 587114952 APZGQOLWCYLGLQ-UHFFFAOYSA-N 367.334 4.684 5 1 FJBF O=C(c1c(-c2ccc(Cl)cc2)[nH]c2cc([N+](=O)[O-])ccc12)C(F)F 587645943 FXNTZZJNKNDRBC-UHFFFAOYSA-N 350.708 4.844 5 1 FJBF CC(C)(C)OC(=O)Cc1ccccc1Oc1c(Cl)cccc1[N+](=O)[O-] 26396023 YHMDZIYTYAMORC-UHFFFAOYSA-N 363.797 4.925 5 1 FJBF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[N+](C)(C)CCCS(=O)(=O)O 26575876 IPTGHUMOONTJAX-LCAIAVFMSA-O 372.595 4.760 5 1 FJBF O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)ccc1O 95603164 OPCFESYTPXDZHL-UHFFFAOYSA-N 368.776 4.873 5 1 FJBF Cc1ccc([C@@H](C)[C@@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586885764 DENJIFNPBHKALY-JLCFBVMHSA-N 368.440 4.805 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083209 JSEUBSCXMZNAND-UHFFFAOYSA-N 359.172 4.993 5 1 FJBF CCc1cc2cc(OC(C)=O)ccc2c2cc3ccc(OC(C)=O)cc3n12 29347271 OQFHPRFYMIIUIQ-UHFFFAOYSA-N 361.397 4.659 5 1 FJBF O=[N+]([O-])c1c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)ccc2ncccc12 963121572 NPLIGWAMHKOPPA-KRWDZBQOSA-N 374.227 4.685 5 1 FJBF O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(Cl)cc3)nc12 587069064 HTQUXHRRGXINSI-UHFFFAOYSA-N 352.575 4.554 5 1 FJBF O=C(c1ccc(C(F)(F)F)c(F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280488 YJNLKPDWYWINPH-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF CCOC(=O)c1c(Cc2ccccc2[N+](=O)[O-])[nH]c2c(C)cc(Cl)cc12 587627020 LTYXYFUSCHNPDK-UHFFFAOYSA-N 372.808 4.805 5 1 FJBF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1Cl 587870808 JDXPISWZRSVLIT-UHFFFAOYSA-N 361.760 4.639 5 1 FJBF Clc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc12 73142027 WNOHFJIMKSDPHP-UHFFFAOYSA-N 372.819 4.965 5 1 FJBF in-vitro O=[N+]([O-])c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)nc1 38621105 OMDOTTSQZGOSBB-UHFFFAOYSA-N 365.780 4.930 5 1 FJBF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 586885757 DDXQDBBTVAISCW-RCDICMHDSA-N 368.440 4.805 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc([N+](=O)[O-])c3)cc1)O2 587391370 WFKUCUPZZHFLGA-OAQYLSRUSA-N 374.396 4.859 5 1 FJBF O=[N+]([O-])c1cccc2c1NC[C@@H]1C2=NN(c2ccccc2)[C@@H]1c1ccccc1 1772647347 ANPAOVBAIMJBDJ-XMSQKQJNSA-N 370.412 4.602 5 1 FJBF CC[C@]1(CSc2ccccc2[N+](=O)[O-])NCCc2ccc(F)c(C)c21 962299549 OLTPVSGTZWHPOV-LJQANCHMSA-N 360.454 4.586 5 1 FJBF CC(C)(C)c1ccc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2n1 587047794 NLRWCVFMSHYDDW-WEVVVXLNSA-N 356.813 4.987 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Cl)cc3F)c(-c3ncc[nH]3)c12 587645441 BFENMCPCRDZTCI-UHFFFAOYSA-N 356.744 4.926 5 1 FJBF O=[N+]([O-])c1ccc(CN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 2356827495 ULLCZJZVZARGTR-JOCHJYFZSA-N 357.413 4.946 5 1 FJBF CC1(C)C[C@@](CCNc2ccc([N+](=O)[O-])cc2)(c2ccccc2)CCO1 72109403 MRNIYWPXONCHFK-NRFANRHFSA-N 354.450 4.924 5 1 FJBF O=C(c1ccccc1)c1ccccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279409 JHTXFVVWSNSRSC-UHFFFAOYSA-N 371.348 4.803 5 1 FJBF CN(C)c1ccc2c(-c3cccs3)c3ccc(=[N+](C)C)cc-3sc2c1 40861596 SPADMIMJBAUOLW-UHFFFAOYSA-N 365.547 4.832 5 1 FJBF O=C(O)[C@@H](Cc1ccccc1)NCc1c2ccccc2cc2ccccc12 95552998 XQYKVQHJKQWNFR-HSZRJFAPSA-N 355.437 4.779 5 1 FJBF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587931142 RAFVYCJHVSXNNX-ADLMAVQZSA-N 357.797 4.578 5 1 FJBF O=[N+]([O-])c1ccc2nc(Nc3c(Cl)cccc3Cl)c3cncn3c2c1 13860309 ANRZFCUWSFUDGX-UHFFFAOYSA-N 374.187 4.841 5 1 FJBF O=C1C[C@]2(CCCc3c([N+](=O)[O-])cccc32)Oc2c1ccc1c2CCCC1 587511381 GMFKRFXBOSZDHN-QFIPXVFZSA-N 363.413 4.671 5 1 FJBF CCn1c2ccc(OC(C)=O)cc2c2ccc3cc(OC(C)=O)ccc3c21 27304359 GSGMKGGKAKSMMO-UHFFFAOYSA-N 361.397 4.818 5 1 FJBF O=[N+]([O-])c1ccc(Cn2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237288 FXCDRGJYHHQPSD-UHFFFAOYSA-N 370.368 4.801 5 1 FJBF Cc1cc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2cc1[N+](=O)[O-] 587060315 AFKYHXFYMWAMAH-UHFFFAOYSA-N 354.753 4.755 5 1 FJBF O=[N+]([O-])c1ccc(Nc2nccc(-c3ccc(Br)cc3)n2)cc1 103300962 FOJHLFLQVXKXMT-UHFFFAOYSA-N 371.194 4.558 5 1 FJBF CCOC(=O)c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(Cl)c(F)cc12 587631099 GCRIKWPCKLXKPG-UHFFFAOYSA-N 362.744 4.712 5 1 FJBF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc([N+](=O)[O-])c2Cl)N1 962943306 GOQQQZKUSNJANP-ZMZPIMSZSA-N 355.825 4.743 5 1 FJBF c1cnc2c(c1)c1nc(-c3csc([C@@H]4CCCO4)n3)[nH]c1c1cccnc12 587015717 ABTSZJCQBIISBW-AWEZNQCLSA-N 373.441 4.634 5 1 FJBF O=C(c1cc(F)cc(C(F)(F)F)c1)c1coc2cc([N+](=O)[O-])ccc12 587280316 SFEAQQWLISXPOF-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)CC2=O 587459375 IGCGOIUXOHLDDZ-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1 1647166 RUJMERFUMDLBHZ-UHFFFAOYSA-N 359.385 4.572 5 1 FJBF CC(=O)c1c(Nc2ccc(C)cc2)nc2c([N+](=O)[O-])cc(Cl)cc2c1O 84614678 ALORNQQGJCDXEL-UHFFFAOYSA-N 371.780 4.757 5 1 FJBF Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2C(=O)C(F)(F)F)s1 587645248 MHNYKEVUFYKVNA-UHFFFAOYSA-N 354.309 4.858 5 1 FJBF Nc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 587647763 OMROKTBJEBRQRM-UHFFFAOYSA-N 373.368 4.545 5 1 FJBF CCN(CC)CCCNc1nncc2cc3c([nH]c4ccccc43)c(C)c12 1653986 PNZUMUGPPDGMRM-UHFFFAOYSA-N 361.493 4.717 5 1 FJBF CC[C@]1(c2cccc([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 587511852 JRDACXMQHYWBSY-OAQYLSRUSA-N 351.402 4.744 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1ccc(Cl)cc1 5893107 IZPCROSYAJNLQO-LJQANCHMSA-N 371.824 4.559 5 1 FJBF CCCCCN(CCCCC)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 68572261 UVHKEHYDBCLVOS-UHFFFAOYSA-N 366.418 4.717 5 1 FJBF biogenic OCc1c(CO)c2c3ccccc3c3ccccc3n2c1-c1ccccc1 2382250042 GPHZKJQUUQIFBP-UHFFFAOYSA-N 353.421 4.897 5 1 FJBF Cc1cc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c(C)n1 587272468 UBRBODRFABDCFL-UHFFFAOYSA-N 360.373 4.942 5 1 FJBF Cc1cc(N(C)Cc2nc3ccc(C(C)(C)C)cc3[nH]2)c([N+](=O)[O-])cc1F 587136074 BAEPZBBWFRVSTQ-UHFFFAOYSA-N 370.428 4.853 5 1 FJBF Cc1c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165933 IACPBWROECFXBM-UHFFFAOYSA-N 350.353 4.591 5 1 FJBF O=[N+]([O-])c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159461 QQIFSLIUYZBLDO-UHFFFAOYSA-N 373.347 4.616 5 1 FJBF COc1ccccc1Nc1ccccc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 587239935 CGYDZAXWMKVYJF-UHFFFAOYSA-N 360.373 4.890 5 1 FJBF O=C1C[C@@H](c2c[nH]c3c([N+](=O)[O-])cccc23)Oc2c1ccc1c2CCCC1 587514359 XETBLZCYGSWNFA-IBGZPJMESA-N 362.385 4.661 5 1 FJBF O=[N+]([O-])c1cc(-c2nc3ccccc3[nH]2)cc(-c2nc3ccccc3[nH]2)c1 1857749218 QKZUJKPFSOAFEQ-UHFFFAOYSA-N 355.357 4.681 5 1 FJBF CCCC(=O)[C@H]1C(=O)Nc2ccc(Cl)c3c(O)c4ccccc4c1c23 1857548214 PEYGDJRWJXLCJL-GOSISDBHSA-N 353.805 4.757 5 1 FJBF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587196579 WEYYPEAGBCGTHG-CQSZACIVSA-N 367.456 4.877 5 1 FJBF O=C1C[C@@H](c2cc([N+](=O)[O-])cc3cccnc23)Oc2c1ccc1c2CCCC1 587512839 OWSXXYUCWZAAPK-FQEVSTJZSA-N 374.396 4.728 5 1 FJBF CCCCCCOc1c(C)cc(C(=O)OCCCC[N+](C)(C)C)cc1C 26263486 FVTCUXIAEJVITF-UHFFFAOYSA-N 364.550 4.906 5 1 FJBF CC1(C)[C@@H]2CCC[C@]1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 101378562 FFSCPZBJYXHNHZ-YBOAYWMSSA-N 365.452 4.842 5 1 FJBF Cc1c(-c2cc(Br)cc([N+](=O)[O-])c2O)[nH]c2cc(F)ccc12 587632832 RURJDMGHIISMJF-UHFFFAOYSA-N 365.158 4.659 5 1 FJBF CCc1cccc(CC(C)C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1O 45393282 WUVBBGWNBMGGLP-UHFFFAOYSA-N 357.410 4.705 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151869 PNLHOADYGQJVLG-PMOLBWCYSA-N 371.526 4.661 5 1 FJBF FC(F)Oc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 587130878 SHRRNMQBEOOYPI-UHFFFAOYSA-N 362.339 4.928 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cc1Cl 587023351 JHBGKJQMFMLDAQ-UHFFFAOYSA-N 362.823 4.977 5 1 FJBF Cc1ccccc1C(C)(C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 587955362 NXPOQCAQGOTUPB-UHFFFAOYSA-N 374.238 4.868 5 1 FJBF Nc1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1CC(=O)O 587250342 SDHLIUPAQCCIAR-UHFFFAOYSA-N 367.408 4.746 5 1 FJBF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587646234 LTRMKYCBQFJVRA-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF COc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Cl 587048020 OZUWVCSEZWIZFJ-HYXAFXHYSA-N 364.188 4.957 5 1 FJBF COc1ccc(-c2cccc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2)cc1O 587786653 NHVNFWUSCHPCBO-UHFFFAOYSA-N 361.357 4.519 5 1 FJBF Cc1ccc([C@H](C)[C@H](O)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 586885761 DENJIFNPBHKALY-FPTDNZKUSA-N 368.440 4.805 5 1 FJBF CCCN1[C@H](C)Cc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963258038 NEPUDXUHHYLIKN-VFNWGFHPSA-N 374.431 4.955 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3cncc(C)c3[nH]2)cc([N+](=O)[O-])c1 587136753 LWHUHZTUFDNNHY-UHFFFAOYSA-N 362.364 4.956 5 1 FJBF Nc1cc(C(=O)O)ccc1Cc1nc2c3ccccc3c3ccccc3c2[nH]1 587250232 QTVJBVMUIIGSLK-UHFFFAOYSA-N 367.408 4.741 5 1 FJBF CCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)ccc23)C1 95575166 VEQUWWYJBUONNT-UHFFFAOYSA-N 365.473 4.787 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)ncc2[nH]1 586969548 UZAFCIKTEAXFRO-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF COc1cc(C2(c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)CC2)ccc1C 587925840 QRVKAUQWZATLJD-UHFFFAOYSA-N 357.797 4.521 5 1 FJBF O=[N+]([O-])c1cccc2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)nc12 1772614391 VLYDKIXEBOQJNP-UHFFFAOYSA-N 358.279 4.705 5 1 FJBF c1ccc(C[N@@+]23CCc4cc5c(cc4[C@H]2Cc2ccccc2C3)OCO5)cc1 253639873 WADSZSZAXANUOR-ZEQKJWHPSA-N 370.472 4.786 5 1 FJBF Cc1cc2c(Br)ccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2o1 587002785 DLPBJPDMKUDTRS-UHFFFAOYSA-N 372.178 4.955 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587064106 ARSRQFDJVAHXQO-UHFFFAOYSA-N 369.764 4.964 5 1 FJBF O[C@H](C[C@@H]1CCCCN1)c1cc(C(F)(F)F)nc2c1ccc1ccccc12 169333995 SDAMQELJAHESIM-KBXCAEBGSA-N 374.406 4.972 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c3ccccc3nc3ccccc13)O2 587396315 ZADDZRBOCIMXKL-NRFANRHFSA-N 354.409 4.985 5 1 FJBF CC[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(OC)cc1)n1ccnc1 28240049 GSZYHKDDFOVVFV-PMACEKPBSA-N 351.406 4.583 5 1 FJBF CCOC(=O)C1=C(C)N(c2ccccc2)C=C[C@H]1c1ccccc1[N+](=O)[O-] 52566345 FCHWSHDWDLEYPK-SFHVURJKSA-N 364.401 4.549 5 1 FJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1cccc(C(F)(F)F)c1 587646629 YIAZXBBWUPGLNH-UHFFFAOYSA-N 363.295 4.656 5 1 FJBF Clc1cccc(C2(c3nc4c5cccnc5c5ncccc5c4[nH]3)CC2)n1 587083904 BVCPHPUBXZVFIX-UHFFFAOYSA-N 371.831 4.788 5 1 FJBF CN1CCCN(c2c3c4ccccc4nc-3oc3ccc(Cl)cc23)CC1 95579456 NHSCIJYRRYNSJG-UHFFFAOYSA-N 365.864 4.881 5 1 FJBF FC(F)(F)[C@@](F)(Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587089663 FSEZVAVVNSATNQ-CQSZACIVSA-N 354.694 4.583 5 1 FJBF COc1cccc(-c2cc(F)cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c1 587160208 LZRQCRODYRLKPN-UHFFFAOYSA-N 363.348 4.953 5 1 FJBF Cc1ccc2c3c(cc(-c4ccncc4[N+](=O)[O-])nc13)-c1ccccc1C2=O 587096579 DDLREWAUDUDLOH-UHFFFAOYSA-N 367.364 4.725 5 1 FJBF O=[N+]([O-])c1ccc([C@H]2Nc3ccc4cc5ccccc5nc4c3CO2)cc1 34867556 PJTRLRACXVEWHX-NRFANRHFSA-N 357.369 4.937 5 1 FJBF CO/C(O)=C1\C(C)=Nc2ccccc2S[C@@H]1c1ccc([N+](=O)[O-])cc1 101477152 ZWJRSDJQGHWZJS-GROYHEBESA-N 356.403 4.950 5 1 FJBF Cc1cc(Cl)ccc1OCCCc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 587066152 KJFJNIDNZCASPY-UHFFFAOYSA-N 359.813 4.753 5 1 FJBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)Nc1ccccc1C(F)(F)F 587646331 OHHMSTRPLUAZME-UHFFFAOYSA-N 363.295 4.656 5 1 FJBF COc1cc2c(oc(=O)c3cc4ccoc4c(OC)c32)c2cccc(O)c12 1633428 AXEPOELCIJWDNH-UHFFFAOYSA-N 362.337 4.568 5 1 FJBF Cc1ccoc1CN(C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 101152228 FPBBKOFNQVUXDJ-RTBURBONSA-N 369.485 4.501 5 1 FJBF O=C1C[C@@H](c2ccc(Cl)cc2[N+](=O)[O-])Oc2c1ccc1c2CCCC1 587498715 GDEZDGAWALSQJF-SFHVURJKSA-N 357.793 4.834 5 1 FJBF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc([N+](=O)[O-])ccc23)s1 587645222 LINHFOLDAAGQNY-UHFFFAOYSA-N 354.309 4.696 5 1 FJBF O=c1c(-c2ccc([N+](=O)[O-])cc2)c2[nH]c3ccccc3nc-2c2ccccc12 104327166 SLLXBYFBRNVNHF-UHFFFAOYSA-N 367.364 4.756 5 3 FJBF O=[N+]([O-])c1cnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587951075 VWTGHKQGAKPSLN-KHPPLWFESA-N 358.357 4.829 5 1 FJBF O=C(O)c1ccccc1/C=C\c1nc2cc3nc4ccccc4nc3cc2[nH]1 586878414 CVCJKWNOLVRKFV-KTKRTIGZSA-N 366.380 4.528 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccc(F)cc3c3ncccc13)O2 587386324 XKZOEFGRSQEJKP-IBGZPJMESA-N 373.387 4.519 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1ccc([N+](=O)[O-])c(Cl)c1)CC2=O 587463101 UAROBIMKHQBJCL-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF Clc1ccc2c(c1)C[C@@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)O2 587081444 WLYXXHAJQADBLB-INIZCTEOSA-N 372.815 4.989 5 1 FJBF COc1cc2c3c(c4ccc(F)cc4c2cc1OC)C[C@@H]1CCCN1C3 72126096 PWFUCLSCKGYHIS-AWEZNQCLSA-N 351.421 4.670 5 1 FJBF Cc1ccc(N2CCN(c3cc(=O)oc4c3ccc3ccccc34)CC2)cc1 1857604882 FXSWOVQYWSOKCJ-UHFFFAOYSA-N 370.452 4.581 5 1 FJBF O=[N+]([O-])c1cc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2cc1Cl 587085226 NNYXKLOWZOBXNQ-UHFFFAOYSA-N 359.172 4.993 5 1 FJBF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(Cl)c(F)cc2[nH]1 587109881 PKGCDLRCMWJQSF-UHFFFAOYSA-N 373.693 4.873 5 1 FJBF COc1ccc(C2(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC3(CCC3)C2)cc1 587936252 VFCLDCXKKXXPKW-UHFFFAOYSA-N 363.417 4.730 5 1 FJBF O=[N+]([O-])c1cccc2c(Oc3ccc(C(F)(F)F)cc3)cc(O)nc12 299857377 CSAVJWCGPIYRII-UHFFFAOYSA-N 350.252 4.660 5 1 FJBF c1ccc2nc3cc4[nH]c(-c5csc([C@@H]6CCCO6)n5)nc4cc3nc2c1 587017459 WWHDGWBOKRLYNA-SFHVURJKSA-N 373.441 4.634 5 1 FJBF Cc1c(F)cccc1-c1cc(-c2nc3c(C)nccc3[nH]2)cc([N+](=O)[O-])c1 587137240 VRNFCSDBCKEXHC-UHFFFAOYSA-N 362.364 4.956 5 1 FJBF O=[N+]([O-])c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083621 CIOAGQGLDNNEBD-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)Nc1ccccc1C(F)(F)F 587646090 JIZOEABVJWGMBF-UHFFFAOYSA-N 363.295 4.656 5 1 FJBF Cc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 1635292211 FCMHHXZPPWBVRD-UHFFFAOYSA-N 373.368 4.964 5 1 FJBF CCCCn1c(=O)c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 169327705 DHSMNHWMUHAQNA-UHFFFAOYSA-N 362.473 4.581 5 1 FJBF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)o1 587266142 VVBLEYSOABISPY-UHFFFAOYSA-N 356.341 4.946 5 1 FJBF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 587645941 FUJAUWJPAIOQJB-UHFFFAOYSA-N 364.279 4.549 5 1 FJBF CCN(CCF)C(=O)c1sc2ccccc2c2nc3ccccc3c1-2 96909223 ULHWCHHBNGQWMU-UHFFFAOYSA-N 352.434 4.986 5 1 FJBF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587196577 WEYYPEAGBCGTHG-AWEZNQCLSA-N 367.456 4.877 5 1 FJBF O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2[N+](=O)[O-])[N@]1C1CCCCC1 1857623775 OFIHBIHVNYDAGB-ONTIZHBOSA-N 350.418 4.536 5 1 FJBF COc1c2c(cc3oc(=O)c4c5ccc(O)cc5oc4c13)OC(C)(C)CC2 5762351 CFWLRXJPRRCJTI-UHFFFAOYSA-N 366.369 4.510 5 3 FJBF biogenic,in-vitro O=[N+]([O-])c1cn([C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C2CC2)cn1 96938219 CWCUYRUCAOMBHE-HXUWFJFHSA-N 367.380 4.509 5 1 FJBF CCO/C(O)=C1\C(C)=Nc2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1 100961459 PJFOWOHTJANKKS-GHNGSUTGSA-N 353.378 4.660 5 1 FJBF Cc1cc(C)c(Oc2cc(Nc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2)c(C)c1 103259707 DXUBSMJSDBNUBJ-UHFFFAOYSA-N 365.389 4.744 5 1 FJBF C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152298 UMEDKGJVCBVATI-REPLKXPHSA-N 371.526 4.661 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3cccc(Cl)c3)c(CC3OCCCO3)c12 587644940 RKNLCGKPOHGWQM-UHFFFAOYSA-N 372.808 4.702 5 1 FJBF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587931152 RAFVYCJHVSXNNX-ZMZPIMSZSA-N 357.797 4.578 5 1 FJBF CC(C)c1ccc(-c2cc(NCCc3ccc([N+](=O)[O-])cc3)ncn2)cc1 82161803 PTQIEPIUAMQUNR-UHFFFAOYSA-N 362.433 4.830 5 1 FJBF O=C1C[C@@H](c2c[nH]c3cccc([N+](=O)[O-])c23)Oc2c1ccc1c2CCCC1 587510484 APBKKLGCDFEJCN-IBGZPJMESA-N 362.385 4.661 5 1 FJBF O=[N+]([O-])c1ccc(CN2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 2356827496 ULLCZJZVZARGTR-QFIPXVFZSA-N 357.413 4.946 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3ccc4ncccc4c3[nH]2)ccc1Cl 587047151 CRBJZOWTMQDWNA-YWEYNIOJSA-N 350.765 4.843 5 1 FJBF C[C@H](Oc1ccc(F)cc1Cl)C(=O)c1coc2cc([N+](=O)[O-])ccc12 587280556 ZYAUYSFVBXITEQ-VIFPVBQESA-N 363.728 4.784 5 1 FJBF NCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2cc3ccccc3cc12 299844652 OETDTSFVQFMRCJ-JXMROGBWSA-N 374.875 4.977 5 1 FJBF Cc1c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166317 QNMFKODLFLPDHN-UHFFFAOYSA-N 368.343 4.730 5 1 FJBF Cc1nc(N(C)C)ncc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 587194711 LTBCTUTXWZJUML-UHFFFAOYSA-N 353.429 4.701 5 1 FJBF C[C@H](COC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 45496471 GKAJQAONRDPCLI-LLVKDONJSA-N 350.827 4.765 5 1 FJBF Cc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1F 587109013 FVIPFEBKRNEXNN-UHFFFAOYSA-N 353.275 4.528 5 1 FJBF O[C@@H]1[C@@H]2O[C@H]2c2cc3ccc4cccc5c6ccccc6c(c2[C@H]1O)c3c45 299813767 WVRJTJXJEXHJBK-SBFWRKJZSA-N 352.389 4.585 5 1 FJBF O=[N+]([O-])c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Cl 587068245 NJLNXNZPLKDBOJ-UHFFFAOYSA-N 374.187 4.835 5 1 FJBF COc1ccc(-c2csc3c2[N+]2(C)C=CC=C2[C@H]3N2CCCC2)cc1 31871195 AOMXUERMDCAJHH-HWYAHNCWSA-N 351.495 4.923 5 1 FJBF COc1ccc(-c2cccc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2)cc1 587934598 FCFRYEMDUAYBSM-UHFFFAOYSA-N 363.348 4.953 5 1 FJBF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)CN1CCC[C@@H]1C3 14824829 RFPUTOSCASFEEO-CQSZACIVSA-N 363.457 4.539 5 1 FJBF biogenic,in-vitro CCCc1c(O)ccc2c1O[C@](CC)(c1cccc([N+](=O)[O-])c1)CC2=O 587472362 HJOMHQKUCOHPFI-FQEVSTJZSA-N 355.390 4.524 5 1 FJBF Nc1ccc([N+](=O)[O-])c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587105367 ZUSDEPNYFCDJBM-UHFFFAOYSA-N 367.364 4.604 5 1 FJBF CCc1[nH]c2cc([N+](=O)[O-])ccc2c1Cc1ccc(Br)cc1 587644526 ZAKRNQSCZIXSRI-UHFFFAOYSA-N 359.223 4.992 5 1 FJBF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(Cc1ccc([N+](=O)[O-])cc1)C(F)F 963258029 NEPUDXUHHYLIKN-BTYIYWSLSA-N 374.431 4.955 5 1 FJBF CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc([N+](=O)[O-])cc3)cc12 49069886 RUBSILGMNGZJMZ-UHFFFAOYSA-N 358.785 4.530 5 1 FJBF COc1ccc(-c2nnc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 103210254 CWRHEDMEGRIEHR-UHFFFAOYSA-N 363.329 4.580 5 1 FJBF Cc1cc2cc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc3oc(C)cc(n1)c23 169350128 LMILISJMBSBGHP-UHFFFAOYSA-N 362.341 4.725 5 1 FJBF Clc1ccccc1NCc1nc2c3cccnc3c3ncccc3c2[nH]1 587061143 BDOFEZAJBUBTPN-UHFFFAOYSA-N 359.820 4.925 5 1 FJBF CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1Cl)CC2=O 587461542 KWCKIRLTOOSCTC-KRWDZBQOSA-N 361.781 4.613 5 1 FJBF CCOc1ccccc1-c1cccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)c1 587780403 SBSYNVUQKVOHLP-UHFFFAOYSA-N 360.373 4.599 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Cl 587048512 WTHHWVHTOVREAY-RQOWECAXSA-N 353.687 4.712 5 1 FJBF Cn1c2c3ccccc3nc-2c(NC2CCNCC2)c2ccc(Cl)cc21 169729266 CFUWLMSJPFIWNX-UHFFFAOYSA-N 364.880 4.649 5 1 FJBF CCN(CC)CCOc1ccc2c(c1)oc1c(O)c3ccccc3c(O)c12 169716542 RLDUSFODMUWPNX-UHFFFAOYSA-N 365.429 4.871 5 1 FJBF O=[N+]([O-])c1cccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587270987 ZYMZQNKXSLSEEU-UHFFFAOYSA-N 367.352 4.868 5 1 FJBF O=[N+]([O-])c1ccn(CCCc2nc3c4ccccc4c4ccccc4c3[nH]2)n1 587272689 AJUWZLAHPATXHU-UHFFFAOYSA-N 371.400 4.607 5 1 FJBF O=[N+]([O-])c1cc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2cc1[N+](=O)[O-] 587073671 JHSQBQMLBPHLLI-UHFFFAOYSA-N 372.768 4.503 5 1 FJBF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 587644273 SILSMBHZFWWQHL-UHFFFAOYSA-N 359.179 4.708 5 1 FJBF CCN(CC)CCCCn1c2ccccc2c(=O)c2cc(C)cc(C)c21 1772579129 AOMLWIQEGAAUKD-UHFFFAOYSA-N 350.506 4.894 5 1 FJBF Cc1ncsc1-c1c[nH]cc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 587027710 HBEIHPQQVFYWCH-UHFFFAOYSA-N 359.798 4.552 5 1 FJBF C(=C\c1ccccc1)\COCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587780904 LJTOHWUUSFEEOU-TWGQIWQCSA-N 366.424 4.889 5 1 FJBF Cc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2c1c(Br)cc1n[nH]cc12 587623060 KFXOEOGBZZISLY-UHFFFAOYSA-N 371.194 4.690 5 1 FJBF O=C(c1ccc(F)cc1)c1c(C(F)(F)Cl)[nH]c2cc([N+](=O)[O-])ccc12 587645011 HKSXNIXNNINLCB-UHFFFAOYSA-N 368.698 4.734 5 1 FJBF O[C@@H]1c2c(cc3ccc4cccc5c6ccccc6c2c3c45)[C@@H]2O[C@@H]2[C@@H]1O 71277345 WVRJTJXJEXHJBK-JLLPCOHGSA-N 352.389 4.585 5 1 FJBF O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccc(COc3ccccc3)cc2)cc1F 1857648833 DOEPZUQRMMNBHR-UHFFFAOYSA-N 368.320 4.888 5 1 FJBF COc1cccc2sc3cc(NCc4ccc(C)o4)ccc3c(=O)c12 102838849 JKQZQWNQYFUWJE-UHFFFAOYSA-N 351.427 4.937 5 3 FJBF Cc1cccc([C@@H](SCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 28474212 MWBMMEFTIOCUIM-FQEVSTJZSA-N 367.474 4.931 5 1 FJBF c1ccc(C[N+]23CCc4cc5c(cc4[C@H]2Cc2ccccc2C3)OCO5)cc1 43511495 WADSZSZAXANUOR-GEPVFLLWSA-N 370.472 4.786 5 1 FJBF O=C1C[C@@](c2cccc([N+](=O)[O-])c2)(C2CC2)Oc2c1ccc1c2CCCC1 587510402 AJPCTWHJKBOQBJ-QFIPXVFZSA-N 363.413 4.744 5 1 FJBF O=[N+]([O-])c1cccc(CNc2nc(-c3ccccc3)nc3ccccc23)c1 13743190 IAZIPQAHFGORDU-UHFFFAOYSA-N 356.385 4.817 5 1 FJBF CCC(=O)OCn1ccc2c(C)c3nc4ccc(OC)cc4c3c(C)c2c1 377840566 MHMFWOSPZFKWRO-UHFFFAOYSA-N 362.429 4.879 5 1 FJBF Cc1c(Br)cccc1C(=O)c1coc2cc([N+](=O)[O-])ccc12 587279310 FYKLCAJTEKRVPN-UHFFFAOYSA-N 360.163 4.643 5 1 FJBF C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151879 PNLHOADYGQJVLG-RTBURBONSA-N 371.526 4.661 5 1 FJBF Cn1c2c3cc(Br)c([N+](=O)[O-])cc3nc-2cc2ccccc21 138270184 GUVANVKQJYIJDY-UHFFFAOYSA-N 356.179 4.502 5 1 FJBF Cc1cc(Cl)cc2c(-n3cc([N+](=O)[O-])cn3)c(-c3ccccc3)[nH]c12 587627001 LLPGFHIOCSAPNT-UHFFFAOYSA-N 352.781 4.891 5 1 FJBF COc1cc2[nH]c3cc(F)c(F)cc3c(=O)c2cc1OCc1ccccc1 84652016 NHAFRFUIJBTGAH-UHFFFAOYSA-N 367.351 4.547 5 1 FJBF Cc1cc(F)c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3C)nc2c1 586979514 DWFBQSMJKUYORF-UHFFFAOYSA-N 364.174 4.657 5 1 FJBF O=[N+]([O-])c1cn([C@H](c2ccc(OCc3ccc(F)cc3)cc2)C2CC2)cn1 96938220 CWCUYRUCAOMBHE-FQEVSTJZSA-N 367.380 4.509 5 1 FJBF Cc1cc2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1[N+](=O)[O-] 587226382 PTPGSPONKKUGDB-INIZCTEOSA-N 374.441 4.536 5 1 FJBF Cc1cccc([C@H](SCCn2c([N+](=O)[O-])cnc2C)c2ccccc2)c1 28474214 MWBMMEFTIOCUIM-HXUWFJFHSA-N 367.474 4.931 5 1 FJBF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(Cl)cnc2[nH]1 586969002 LZGQCCVXACYIEM-UHFFFAOYSA-N 362.842 4.935 5 1 FJBF Cc1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1[N+](=O)[O-] 587017174 HODRKQICTYXDPN-UHFFFAOYSA-N 371.809 4.618 5 1 FJBF O=[N+]([O-])c1cccc(C2=NN(c3ccccc3)[C@@H]3c4ccccc4OC[C@H]23)c1 5823938 POMPFSPBIKPLIR-DENIHFKCSA-N 371.396 4.569 5 1 FJBF N[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587269989 HBUVCJWBCNBSJF-SFHVURJKSA-N 374.400 4.506 5 1 FJBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3ccccc3c3ccccc3c2[nH]1 587273083 DHCSJDMUMBQEEB-CYBMUJFWSA-N 371.400 4.778 5 1 FJBF CC(C)(C)c1[nH]c2cccc([N+](=O)[O-])c2c1OC(=O)c1ccccc1F 587646056 SBZUCJXZSSXNLP-UHFFFAOYSA-N 356.353 4.732 5 1 FJBF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 587070697 UJTVFTVKEHDPRY-SECBINFHSA-N 361.760 4.640 5 1 FJBF Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1-c1ccc([N+](=O)[O-])cc1 1772574237 UHFIKMPHYMMCIH-UHFFFAOYSA-N 358.401 4.921 5 1 FJBF O=C(c1ccccc1)c1ccc2nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c2c1 587160183 KVNGEXFGLHDODE-UHFFFAOYSA-N 361.332 4.508 5 1 FJBF CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1-c1ccccc1Cl 587645193 YUECWFSDGZYQOC-UHFFFAOYSA-N 358.781 4.502 5 1 FJBF C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1cccc([N+](=O)[O-])c1 13662075 PHVLNRZLQDGIAJ-DVMWJLJYSA-N 362.429 4.507 5 3 FJBF Cc1nn(-c2cccc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2)c(C)c1Cl 587065458 PYSXPEWPQSIORQ-UHFFFAOYSA-N 367.796 4.594 5 1 FJBF O=C1C[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 587511369 GKUJHXBMMBKPRK-FQEVSTJZSA-N 362.385 4.661 5 1 FJBF Cc1c(CC(=O)c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643619 HAFIBLUQQRTMKL-UHFFFAOYSA-N 373.206 4.572 5 1 FJBF O=C1NC(=O)c2c1c1c3ccccc3ncc1c1[nH]c3cc(Cl)ccc3c21 13488706 PXFLFPWEMPROGG-UHFFFAOYSA-N 371.783 4.560 5 1 FJBF COc1cc2c(cc1OC)[C@@H](Cc1ccc3ccccc3c1)[N+](C)(C)CC2 36184619 ZZKRLARTJDHWDQ-JOCHJYFZSA-N 362.493 4.773 5 1 FJBF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc([N+](=O)[O-])c23)cc1 587644801 CBKATIDIENUUKV-UHFFFAOYSA-N 362.307 4.888 5 1 FJBF O=c1oc(OCCC2CCCCC2)c(Cl)c2ccc([N+](=O)[O-])cc12 40957131 CYFUXDPXUDVXAP-UHFFFAOYSA-N 351.786 4.704 5 1 FJBF O=C(O[C@@H]1Cc2cccc3cccc1c23)c1ccc(Cl)c([N+](=O)[O-])c1 98084809 LGEZDTCWVFHPCS-QGZVFWFLSA-N 353.761 4.856 5 1 FJBF O=[N+]([O-])c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587075451 DPFGPHMKKORUDU-UHFFFAOYSA-N 350.765 4.854 5 1 FJBF Cc1cc(O)c(-c2ccc([C@@H](C)CN)cc2)c2c1nc(O)c1ccccc12 1857546224 YLALUUTXYLNKNT-AWEZNQCLSA-N 358.441 4.837 5 1 FJBF Cc1ncc([N+](=O)[O-])n1CCO[C@H](c1ccccc1)c1cccc(Cl)c1 13473027 ASIJIZKHURAAOW-LJQANCHMSA-N 371.824 4.559 5 1 FJBF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2cccc([N+](=O)[O-])c12 587647371 XFGALVBIWRESOQ-UHFFFAOYSA-N 357.369 4.995 5 1 FJBF O=c1c2ccccc2oc2c(OC3CCCC3)ccc(Cn3ccnc3)c12 95591353 KUGSZDPIYOMNBS-UHFFFAOYSA-N 360.413 4.512 5 1 FJBF COc1cc(C)ccc1OCc1nc2cc3nc4ccccc4nc3cc2[nH]1 587563935 KJODFFHIKWWGNF-UHFFFAOYSA-N 370.412 4.555 5 1 FJBF CN(C)Cc1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 587643559 GIDCBEJFOKFDRU-UHFFFAOYSA-N 374.238 4.567 5 1 FJBF COC(=O)CCc1ccc(N=c2c3ccccc3[nH]c3ccccc23)cc1 1857766708 GJJSKTIFOZWYAT-UHFFFAOYSA-N 356.425 4.659 5 1 FJBF O=C1C[C@@H](c2ccc([N+](=O)[O-])c(Cl)c2)Oc2c1ccc1c2CCCC1 587505820 LSAZNVBGLXWAMV-SFHVURJKSA-N 357.793 4.834 5 1 FJBF COc1ccc(C[C@H]2c3c(cccc3C(C)C)CC[N+]2(C)C)cc1OC 13648593 UUUSUENFPYRGLJ-FQEVSTJZSA-N 354.514 4.744 5 1 FJBF CC(C)n1c(=S)nc(-c2cccc([N+](=O)[O-])c2)c2cc3c(cc21)OCO3 39290323 WQWGBYMRVRHSPV-UHFFFAOYSA-N 369.402 4.651 5 1 FJBF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)cc1)O2 587390547 REJXQMXGLFLRFR-OAQYLSRUSA-N 374.396 4.859 5 1 FJBF O=[N+]([O-])c1ccc2c(CC3OCCCO3)c(-c3ccccc3Cl)[nH]c2c1 587645162 YEPMQHHGSZUMGL-UHFFFAOYSA-N 372.808 4.702 5 1 FJBF O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 13588870 NJBLUMDRPYYYHE-UHFFFAOYSA-N 365.172 4.603 5 1 FJBF COc1ccc2nc3c(cnc4c3cnn4-c3ccccc3)c(Cl)c2c1 28975795 LDIKKKNABLGVIW-UHFFFAOYSA-N 360.804 4.784 5 1 FJBF O=[N+]([O-])c1cc(/C=C\c2nc3cnc4ccccc4c3[nH]2)ccc1Cl 587047325 GKSXXKFIOYINJK-VURMDHGXSA-N 350.765 4.843 5 1 FJBF O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)c1 299866589 PBSAQCQTQBXICL-UHFFFAOYSA-N 366.308 4.571 5 1 FJBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 587646567 VDEXMCAYAQMBEY-UHFFFAOYSA-N 365.267 4.979 5 1 FJBF COc1ccc(-c2nc3c(cc(OC)c4c(=O)c5ccccc5oc43)o2)cc1 1857638295 QOJMSDCVWNWYCV-UHFFFAOYSA-N 373.364 4.772 5 1 FJBF CCOC(=O)C1=C(C)N(c2ccccc2)C=C[C@@H]1c1ccccc1[N+](=O)[O-] 52566344 FCHWSHDWDLEYPK-GOSISDBHSA-N 364.401 4.549 5 1 FJBF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)cc1 587271542 FHQNRJOFTPWIIU-UHFFFAOYSA-N 366.764 4.979 5 1 FJBF Cc1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1[N+](=O)[O-] 587087154 ICBOHBGOYBBBQW-UHFFFAOYSA-N 365.780 4.557 5 1 FJBF O=[N+]([O-])c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1F 587950589 SIVYOFGGFSAYDD-UHFFFAOYSA-N 363.348 4.993 5 1 FJBF N[C@@H](Cc1ccccc1Cl)c1nc2cc3nc4ccccc4nc3cc2[nH]1 587058780 JBIAEMBMMBUBQT-AWEZNQCLSA-N 373.847 4.555 5 1 FJBF CC1(C)[C@H]2CCC[C@]1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 64560195 FFSCPZBJYXHNHZ-QXATTWAWSA-N 365.452 4.842 5 1 FJBF O=[N+]([O-])c1cnc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2c1 587123562 DPLZNYSAMUQOFK-ZZXKWVIFSA-N 366.324 4.648 5 1 FJBF O=C(c1cccc(C(F)(F)F)c1F)c1coc2cc([N+](=O)[O-])ccc12 587280100 IZIKMCXDKPDYSW-UHFFFAOYSA-N 353.227 4.730 5 1 FJBF