smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCS(=O)(=O)N1CCC(NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 12523131 ZVXWWCNZJAXANO-UHFFFAOYSA-N 432.502 2.882 5 40 IFBB O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)Nc1ccc(F)cc1[N+](=O)[O-] 14126150 RMRARPSQYYMENB-UHFFFAOYSA-N 440.416 2.887 5 40 IFBB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 21094852 URDBYQVFNCBZCU-CQSZACIVSA-N 427.413 2.528 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H]1CCCc2ccccc21)S(C)(=O)=O 22367468 VWKVZUOVJOYHFV-QGZVFWFLSA-N 433.486 2.563 5 40 IFBB O=c1c([N+](=O)[O-])c(N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)nc2ccccn12 101814608 RNTMUSFIEKGETR-HOTGVXAUSA-N 442.422 2.986 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3cccs3)CC2)c([N+](=O)[O-])c1 408576261 WRCZFXPQPGSHRQ-UHFFFAOYSA-N 448.526 2.670 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 408672390 WGXDEYMQFKMHBV-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32125032 NEQHTEDHZAIDGG-NVNXTCNLSA-N 440.499 2.915 5 40 IFBB CC(C)NC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409874 PNJSTZRRTONBFJ-AWEZNQCLSA-N 448.501 2.526 5 40 IFBB COc1ccc(NC(=O)c2nn(C)c(C(=O)Nc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 857669 RZRMXLQBLQEQNM-UHFFFAOYSA-N 425.401 2.850 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 10186844 FFXFOYIKTFFKHT-UHFFFAOYSA-N 425.488 2.704 5 40 IFBB CC(C)Oc1cccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415301 DLEIKUMJJAZCOT-HNNXBMFYSA-N 435.502 2.853 5 40 IFBB CC[C@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546342 VKQGHCMOYPBRDE-QGZVFWFLSA-N 435.502 2.773 5 40 IFBB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc3c(cc21)OCO3 101035440 YTDPGZARONAJBZ-VXPUYCOJSA-N 429.410 2.644 5 40 IFBB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422914 YALUAKKRCDMBFY-CVEARBPZSA-N 435.502 2.641 5 40 IFBB Cc1cc2nc3s/c(=C/c4cc([N+](=O)[O-])ccc4N4CCOCC4)c(=O)n3c2cc1C 409389080 AHWFUPWBOGIACV-UDWIEESQSA-N 436.493 2.819 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35851622 HYDLLJOQCTWYSF-ZVVFGRKBSA-N 446.463 2.588 5 40 IFBB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 38828490 VAFJVBLMCARFIL-ZOWXZIJZSA-N 440.460 2.510 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1ccccc1Br)c1cccc([N+](=O)[O-])c1 409025953 BRQYKYMSEFQJOR-UHFFFAOYSA-N 428.264 2.762 5 40 IFBB O=[N+]([O-])c1ccc2c(cnn2CN2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1 22309250 MKTFIGPTKROEOJ-MDWZMJQESA-N 427.486 2.520 5 40 IFBB CCc1cccc2c(C(=O)COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c[nH]c12 9390278 GZTPSVZIPFJTPS-UHFFFAOYSA-N 435.392 2.661 5 40 IFBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Oc2cccc(C(C)(C)C)c2)c([N+](=O)[O-])c1 12933116 GFUYLHGTWXNRRA-UHFFFAOYSA-N 442.515 2.910 5 40 IFBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25830486 XRNPKUBRZDLVPY-GOEBONIOSA-N 425.441 2.939 5 40 IFBB CCN(CC)CCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199408186 KWOGCKKJSISQRT-LJQANCHMSA-N 448.907 2.682 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220380778 YBBZTRAKZQEBJY-CQSZACIVSA-N 449.485 2.873 5 40 IFBB CC[C@@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543782 ZNMANYCJQQFRKL-KRWDZBQOSA-N 435.502 2.507 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1-n1ccnc1 6444513 GPXTURFRMUFCHP-UHFFFAOYSA-N 440.397 2.707 5 40 IFBB C[C@@H](c1nc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 24572742 HCZYQDDSVIUTHM-ZDUSSCGKSA-N 447.542 2.735 5 40 IFBB Cn1/c(=N/C(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2cc(S(C)(=O)=O)ccc21 100859790 PWXPAYOOSWRASB-VLGSPTGOSA-N 425.875 2.946 5 40 IFBB COC(=O)c1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222372981 NSIIVCBELFTVJW-UHFFFAOYSA-N 449.485 2.875 5 40 IFBB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546509 RURBRBNCRKRZAG-QGZVFWFLSA-N 435.502 2.773 5 40 IFBB COc1ccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1 9511215 BRURZYXDZWUZAN-INIZCTEOSA-N 431.426 2.588 5 40 IFBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)s1 15391425 IRKQGEQXVTZXFI-UHFFFAOYSA-N 448.438 2.869 5 40 IFBB Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] 26232109 IJFDLPMBBFJMRC-INIZCTEOSA-N 439.921 2.736 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 35828589 VTQUSRNWSGYSPE-ZHNFZGJGSA-N 446.463 2.643 5 40 IFBB Cc1ccc(CNC(=O)C2CCN(Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)cc1F 48288026 BHIDDGYDEGKHHV-UHFFFAOYSA-N 442.447 2.936 5 40 IFBB C[C@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 3593416 UKYUJOKSBXRQDV-GOSISDBHSA-N 447.245 2.763 5 40 IFBB Cc1ccc(CS(=O)(=O)c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])s2)cc1 13625678 ZUIOCHKMIAEDCK-UHFFFAOYSA-N 448.482 2.746 5 40 IFBB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21 20308287 YQLRJLMEQWCWCJ-UHFFFAOYSA-N 436.468 2.981 5 40 IFBB COC(=O)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222685818 RBUXUJIHRGISRX-UHFFFAOYSA-N 435.458 2.566 5 40 IFBB Cn1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(Br)c1Br 1309289 ZJLXFJDCINNRNW-UHFFFAOYSA-N 425.058 2.686 5 40 IFBB CCOC(=O)c1c(NC(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)sc(C)c1C 9128348 QTYMDVINIXEFSQ-UHFFFAOYSA-N 430.442 2.798 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1ccc(N2CCOCC2)cc1 9442352 OVWMLAXGTXCPOQ-UHFFFAOYSA-N 432.502 2.960 5 40 IFBB CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12553946 ANPUPMZAYQAPAD-UHFFFAOYSA-N 425.894 2.906 5 40 IFBB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409057862 LNPRTZFUQAQPAQ-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB C[C@H](c1nc2ccccc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 24572738 HCZYQDDSVIUTHM-CYBMUJFWSA-N 447.542 2.735 5 40 IFBB COC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccc(F)cc1 2724057 ZFINKDIMAJTPSO-UHFFFAOYSA-N 445.432 2.510 5 40 IFBB CCc1c(C(=O)NCc2ccnc(N3CCOCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 30636659 KOWLBNQDVWHCTC-UHFFFAOYSA-N 436.472 2.505 5 40 IFBB CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ncccn4)C[C@@H]32)C(=O)C1 9060702 PASMGLLBNNMJCV-GOSISDBHSA-N 435.484 2.581 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1Cl 9414127 NHSHOIPVTKHSAE-PLRJNAJWSA-N 436.855 2.757 5 40 IFBB O=C(c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 72328743 CLVXBCHMSJFMFB-UHFFFAOYSA-N 435.440 2.672 5 40 IFBB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C1=O)CC2 102332258 ZUIJEPQFBAFKLW-SFHVURJKSA-N 425.441 2.611 5 40 IFBB CC(C)(C)c1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 223776281 WTHILNLVZPLWKJ-UHFFFAOYSA-N 449.529 2.854 5 40 IFBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 409031231 JLHNANWJQIZVHT-MTGKDYNDSA-N 449.488 2.707 5 40 IFBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9059327 AYRJEPVYRPNSSW-UHFFFAOYSA-N 444.429 2.941 5 40 IFBB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 10255356 LICXWZGZCJKNGA-OAHLLOKOSA-N 430.486 2.550 5 40 IFBB O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 71796242 DBDCAUWGMGVDAX-UHFFFAOYSA-N 425.488 2.570 5 40 IFBB O=C(c1cnc2c(ccc3c(=O)c([N+](=O)[O-])c[nH]c32)c1)N1CCN(Cc2ccccc2)CC1 95641938 HPDVDDAVQSIBPH-UHFFFAOYSA-N 443.463 2.943 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 408647075 SIPIFWSRMNIVDQ-UHFFFAOYSA-N 441.318 2.900 5 40 IFBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220414447 WGCHQKJPSGDEQT-JTQLQIEISA-N 442.837 2.950 5 40 IFBB CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 1641542719 RAKNCCXBRVPLHL-UHFFFAOYSA-N 448.526 2.665 5 40 IFBB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 10255535 LTFNFCFUSUEYGA-MRXNPFEDSA-N 444.513 2.940 5 40 IFBB CNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222780435 BMPBYFAOJWOOFE-HNNXBMFYSA-N 431.514 3.000 5 40 IFBB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12821996 TZUHGSVXPYCWEH-UHFFFAOYSA-N 433.486 2.708 5 40 IFBB O=C1C[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399720 QJLIKTVTLWPWJB-GFCCVEGCSA-N 438.375 2.625 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 3069529 UWYZUIDVKMGQJD-UHFFFAOYSA-N 440.484 2.653 5 40 IFBB O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 25436171 LFPCAKFRQQPMKQ-UHFFFAOYSA-N 443.403 2.760 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 104099100 ALIPBAZNQJSQLD-NBYUQASBSA-N 430.420 2.500 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1C 409356308 GMEAXCPOQBKLFD-UHFFFAOYSA-N 433.486 2.951 5 40 IFBB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12991664 DZKOQLVCWHQXCH-SFHVURJKSA-N 439.921 2.908 5 40 IFBB CSc1n[nH]c(-n2ccc3nc4ccn(CCc5ccccc5)c(=O)c4cc3c2=O)n1 40398883 LPMWBRFVCRQALE-UHFFFAOYSA-N 430.493 2.783 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 225526915 URMAPLRKNLWJFQ-UHFFFAOYSA-N 449.470 2.816 5 40 IFBB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408661686 GXDOKYQJKGZEJH-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O 408685174 OWTYMWSGVLUNJC-UHFFFAOYSA-N 432.776 2.863 5 40 IFBB O=Cc1ccc(Sc2nnc(CN3CCOCC3)n2-c2ccccc2)c([N+](=O)[O-])c1 408607764 UQUUEYKIDKCKCB-UHFFFAOYSA-N 425.470 2.971 5 40 IFBB Cc1c(NC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 408703337 FGRADQFGRXXMGH-UHFFFAOYSA-N 435.458 2.817 5 40 IFBB COCCn1ccc2cc(C(=O)N3C[C@@H]4C[C@@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)ccc21 524731080 JQZFZOOSWKNFQB-YJBOKZPZSA-N 436.468 2.617 5 40 IFBB biogenic C[C@H](OC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 95963936 ZUOYEHBOVPYQGJ-NSHDSACASA-N 430.392 2.696 5 40 IFBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(I)c1 10646934 IPHKGGUBCMSFRA-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 17046068 NGKKKFKTIZCIEN-RCCFBDPRSA-N 446.368 2.647 5 40 IFBB Cc1cccc(C)c1NC(=O)CN1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 31653178 IRSCUGGUWLHKQL-UHFFFAOYSA-N 449.515 2.684 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCN(Cc2ccccc2)CC1 58159135 YKDTYMNHFRMCJS-UHFFFAOYSA-N 430.530 2.702 5 40 IFBB CC[C@@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222530394 ODEWQHGPTGQXRB-FQEVSTJZSA-N 448.545 2.782 5 40 IFBB O=C([C@@H]1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 32758982 JTONBHUOCXWYRK-GOSISDBHSA-N 429.498 2.548 5 40 IFBB COc1ccc(CN2CCCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)cc1 40039604 UEWRIVHDNXVNBD-UHFFFAOYSA-N 436.472 2.532 5 40 IFBB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1 71980579 BHCYLYKRQYAGFW-LJQANCHMSA-N 425.441 2.513 5 40 IFBB CCCCn1/c(=N/C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100823303 ABFXQTSBKMRZGX-SZXQPVLSSA-N 445.479 2.762 5 40 IFBB COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 218260363 BXKHSCBDYILPME-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB COc1cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)cc1Cl 220056295 WNQPYOGDCJRHRC-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 223958620 LXTARAVNWZQMRL-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB CC(=O)Nc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408660541 AIFZNQRQPLDWKZ-UHFFFAOYSA-N 442.428 2.762 5 40 IFBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 409095866 DRBWRQNZTQMTBL-OVCLIPMQSA-N 440.412 2.539 5 40 IFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1ccccc1 409345153 KAYWAZDWMOZMPS-CSKARUKUSA-N 445.409 2.743 5 40 IFBB Cc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 14080406 ARRMGPPPHRYUOG-UHFFFAOYSA-N 445.907 2.705 5 40 IFBB COc1c2c(cc3c1[C@@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)CC3)OCO2 70672294 JLAHHIWZGARIGP-OAHLLOKOSA-N 446.372 2.920 5 40 IFBB biogenic CCOc1ccc(NC(=O)C[C@@H](NCCc2ccc(OC)cc2)C(=O)O)c([N+](=O)[O-])c1 10186425 FNIVSDMRPOKFII-GOSISDBHSA-N 431.445 2.616 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113890024 CJJOHFYLMNQDLH-UHFFFAOYSA-N 429.794 2.525 5 40 IFBB Cc1c(N(CCCC(=O)NCCc2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224861287 GOGXHDWVSOLPCA-UHFFFAOYSA-N 437.493 2.947 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 408678822 DIHVNIBQLINOAJ-LRGYGIHKSA-N 447.447 2.866 5 40 IFBB CCCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807587 PWVYZVKLTGSSMZ-UHFFFAOYSA-N 425.397 2.786 5 40 IFBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(OC)c1 19644515 KVUXQHDQKXEHBB-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 32115486 CJEPHKJMSIOAAO-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB COc1cc(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)ccc1O 95451802 VXCRIZSVVPDUGK-UHFFFAOYSA-N 428.182 2.844 5 40 IFBB Cc1c(N(CC(=O)NCc2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220032549 JSRCTZRMSVCODF-UHFFFAOYSA-N 435.502 2.773 5 40 IFBB CCc1nnc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)s1 9240875 AASFDONMKSOBCX-UHFFFAOYSA-N 442.486 2.844 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(C)cc1)N1CCC[C@H]21 9486891 XRFUZDGZJQPXTQ-OTNPHJDUSA-N 449.463 2.747 5 40 IFBB CC(C)C[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 10860760 LGZJDVQDJQUWGM-GOSISDBHSA-N 439.424 2.787 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223631898 JTYROKHVSIGDRX-INIZCTEOSA-N 429.473 2.844 5 40 IFBB COc1cc(C(=O)OCc2nc3ccc(Cl)cc3n2CCO)c([N+](=O)[O-])cc1OC 9285066 PADUYXHUDVFYCE-UHFFFAOYSA-N 435.820 2.964 5 40 IFBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(CCC(C)C)c(=O)c3cc2c1=O 40399089 MTKKKUJUSVJRMW-UHFFFAOYSA-N 435.484 2.955 5 40 IFBB Cc1c(N(CCCC(=O)NCCOCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224861545 VBBFDHYPWSTQMZ-UHFFFAOYSA-N 449.529 2.782 5 40 IFBB CC(C)N1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C(=O)NC1=S 9409475 CAWPIMQXEPMBLE-GCJKJVERSA-N 438.509 2.967 5 40 IFBB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 14626298 QUHLZNWKTAELLM-UHFFFAOYSA-N 426.473 2.759 5 40 IFBB COc1ccccc1CNC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470760 NQSFZKASIJSBKJ-KRWDZBQOSA-N 449.511 2.979 5 40 IFBB CCOc1ccc(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 69924006 GNVJONBLNGFGGT-UHFFFAOYSA-N 448.501 2.881 5 40 IFBB CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1O 106755186 FUAXBBKDWYOSRX-DHDCSXOGSA-N 435.458 2.748 5 40 IFBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 408593670 QVNIMIVGJVKPLN-CXUHLZMHSA-N 441.396 2.550 5 40 IFBB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 3425292 QEAPGOCHRYZIHY-UHFFFAOYSA-N 428.445 2.574 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 9329177 IHHBCBQHEQVUOZ-FDGPYGQJSA-N 446.463 2.643 5 40 IFBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11691799 HRSWXPBHQXZLBK-ZQIUZPCESA-N 441.387 2.569 5 40 IFBB COc1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1 13865758 XHMNQAGCTVKCGL-UHFFFAOYSA-N 430.446 2.627 5 40 IFBB Cc1c(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cccc1[N+](=O)[O-] 16250125 GVMJJGRKTMDMSD-UHFFFAOYSA-N 429.458 2.648 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 408656725 OCZMFDICHAMLCZ-GDBMZVCRSA-N 441.440 2.695 5 40 IFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16010220 YZHAQZXTTRKELF-CMCWBKRRSA-N 446.463 2.588 5 40 IFBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 16051200 OQOXGIPKDPBNEL-LJQANCHMSA-N 439.468 2.782 5 40 IFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102815892 YZHAQZXTTRKELF-MTXNFPGFSA-N 446.463 2.588 5 40 IFBB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccccc1[N+](=O)[O-] 9426882 KEGZWTUPNBVXAU-UHFFFAOYSA-N 427.442 2.674 5 40 IFBB COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1O 40072743 UKBTWVBBTOHFNM-UHFFFAOYSA-N 428.441 2.947 5 40 IFBB COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 220381787 LHKWQQSBECPJJW-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 225040620 XRPVGFIZUNDHPS-UHFFFAOYSA-N 430.822 2.545 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487408 JYQKECMMEZRDPQ-GTAWCEEGSA-N 448.410 2.639 5 40 IFBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 16694790 RFRQCBSQRGGNAS-GJBLVYBDSA-N 434.474 2.510 5 40 IFBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1N1CCOCC1 22603551 VECVLZCXPUBVFG-UHFFFAOYSA-N 432.864 2.843 5 40 IFBB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23181898 DUKABAPPUREZJZ-DNVCBOLYSA-N 438.575 2.702 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 24663120 PUZJTNKIJCPPGQ-UHFFFAOYSA-N 437.474 2.651 5 40 IFBB COc1cc(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c(OC)c1OC 95448131 VTXLHNQGFLTVGN-CYBMUJFWSA-N 428.800 2.877 5 40 IFBB COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)Nc1cccc([N+](=O)[O-])c1)=C2C 219189558 VWQJCOBFQFXNCN-UHFFFAOYSA-N 433.442 2.761 5 40 IFBB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224129846 IPXKOSAQCFYXQF-SFHVURJKSA-N 429.473 2.926 5 40 IFBB Cn1ccnc1[C@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 12559900 KWMUPUPBGOYJGL-GOSISDBHSA-N 427.848 2.617 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H]3CCS(=O)(=O)C3)c([N+](=O)[O-])c2)c(C)c1 18899413 YQAYACIVWUIDBB-AWEZNQCLSA-N 439.515 2.611 5 40 IFBB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C1=O)CC2 22609377 SXDSPKMFYHTOEW-GOSISDBHSA-N 425.441 2.611 5 40 IFBB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 97165574 FTZUHVNKTWQLHM-IAGOWNOFSA-N 427.523 2.794 5 40 IFBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@@H]3CCCO3)c2=N)cc1 100426146 JTXXNCZZNVMGHC-SFHVURJKSA-N 443.507 2.546 5 40 IFBB CCOC(=O)[C@H](C)Sc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 9368375 WJNCHFJMPHIIBY-QMMMGPOBSA-N 442.475 2.760 5 40 IFBB CC(C)C[C@H](C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 22708269 AQDPTWRSPUBLCN-QGZVFWFLSA-N 445.472 2.598 5 40 IFBB COc1ccccc1NC(=O)c1nn(C)c(C(=O)Nc2ccccc2OC)c1[N+](=O)[O-] 3139458 HVVDUZXRBYMBQP-UHFFFAOYSA-N 425.401 2.850 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 9741213 MUQYURCHNGDYSA-HNNXBMFYSA-N 442.496 2.743 5 40 IFBB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3CCOCC3)c([N+](=O)[O-])c1)CC2 31204795 XRBNWLQXJINFJZ-UHFFFAOYSA-N 427.457 2.647 5 40 IFBB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224746434 VVVSQIGVMVAJHD-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(N(C)[C@H]3CCc4ccccc43)c([N+](=O)[O-])c2)CC1 12527333 LSOSDZQHLDUQNO-IBGZPJMESA-N 430.530 2.655 5 40 IFBB CCn1c(CN2CCOCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 20893222 PNKNHPDVMNWLNH-UHFFFAOYSA-N 439.472 2.814 5 40 IFBB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 22375034 YRZYLTVNLBDRPX-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB O=C(NCc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 8685605 MQXMYWVZKDOMBR-UHFFFAOYSA-N 437.905 2.965 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O 9089754 FRGSXXLVPZYBBX-LPHOPBHVSA-N 434.452 2.550 5 40 IFBB O=C(COCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 9849910 KBYKNVPEBWMYKD-UHFFFAOYSA-N 432.864 2.552 5 40 IFBB CCOC(=O)c1ccc2c(c1)s/c(=N\C(=O)c1ccc([N+](=O)[O-])s1)n2CC(=O)OC 100876153 CVOCRYIRNILOFS-HNENSFHCSA-N 449.466 2.763 5 40 IFBB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409148612 ZTNNKVYRJAIUCE-CYBMUJFWSA-N 440.485 2.945 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CCc1cc(OC)c(OC)c(OC)c1 9403493 WKSCDZZUMRFTFC-UHFFFAOYSA-N 448.428 2.744 5 40 IFBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)c2ccccc2O)CC1 72308214 RKGLQMQZVZIXGC-CYBMUJFWSA-N 432.864 2.739 5 40 IFBB Cc1c(I)ccc(=O)n1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 89536841 XFJKVUFRBPOQBT-UHFFFAOYSA-N 447.616 2.962 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 139004770 BULPOGIRZDWNSP-SNHGZMDHSA-N 445.431 2.642 5 40 IFBB Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409339562 WFAPIOJGYCTJAT-UHFFFAOYSA-N 426.458 2.635 5 40 IFBB COC(=O)c1cc(C(=O)OC)cc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)c1 22607828 IATAVWRRIFEWCV-UHFFFAOYSA-N 428.404 2.760 5 40 IFBB Cc1cccc(-n2c(-c3cccc([N+](=O)[O-])c3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9312601 QANQIDRTOIKVKF-UHFFFAOYSA-N 430.424 2.559 5 40 IFBB CSCC[C@H](NC(=O)c1ccco1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3443921 MOJCYRGQWXCGJX-HNNXBMFYSA-N 436.442 2.649 5 40 IFBB CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 17098462 NPUVLVCJYFTDFD-UHFFFAOYSA-N 433.515 2.704 5 40 IFBB Cc1c(NC(=O)CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] 25051461 JTNYOXRGPAZTPZ-UHFFFAOYSA-N 446.529 2.675 5 40 IFBB CCOc1cccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222366716 SDQHHSDOYRNBRG-UHFFFAOYSA-N 435.502 2.856 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223587266 UTZMJGUPTGRZPU-INIZCTEOSA-N 429.473 2.844 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408672754 ZWKZNCBIMVXLSX-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1 12563168 IYMPYPMOHVLNJD-UHFFFAOYSA-N 438.937 2.821 5 40 IFBB CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 107724625 QSBRQIRURVMALW-UHFFFAOYSA-N 444.473 2.768 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(C)cc1)S(C)(=O)=O 222370101 QFTPVSBGXRSHKA-UHFFFAOYSA-N 435.502 2.774 5 40 IFBB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020550 VNIFWZIBLYNQBJ-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)c1ccc([N+](=O)[O-])cc1 11689619 MDOMHVULUNSSBQ-UHFFFAOYSA-N 445.453 2.560 5 40 IFBB CNS(=O)(=O)c1ccc(N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c([N+](=O)[O-])c1 40135250 NTNCPQQARFHZLK-HNNXBMFYSA-N 430.530 2.923 5 40 IFBB O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)c(S(=O)(=O)N2CCC2)c1 84340964 MEHBHXXKAVBLSA-UHFFFAOYSA-N 427.841 2.712 5 40 IFBB O=c1nc2s/c(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2nc1-c1ccccc1 15988013 ZLESZEOZBWKAAO-LDADJPATSA-N 444.428 2.894 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 19164836 ARPJCGWIJBYPKQ-UHFFFAOYSA-N 433.486 2.951 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1[N+](=O)[O-] 20460960 HGWDKHPXPQAZAL-UHFFFAOYSA-N 448.482 2.900 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O 9507780 GEPPHTWMTHEGJW-IBGZPJMESA-N 432.820 2.663 5 40 IFBB Cc1ccc(-n2c(=O)[nH]c3c(C(=O)Nc4ccc(F)c([N+](=O)[O-])c4)cn(C)c3c2=O)cc1 9820953 PAMRMKLOPVCQOX-UHFFFAOYSA-N 437.387 2.626 5 40 IFBB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17096902 FIWGDTJEIQUQQQ-UHFFFAOYSA-N 430.486 2.881 5 40 IFBB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223053075 WYPBVESOSLXLSO-GOSISDBHSA-N 429.473 2.844 5 40 IFBB CC(C)C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)O 8926024 OAZZMOWQUNORBD-BIRYMOPTSA-N 425.441 2.981 5 40 IFBB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516740 NQDVJGQLUZRWGL-KRWDZBQOSA-N 435.458 2.565 5 40 IFBB COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC 222685551 WPTWQLQJZOKHIO-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB COc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c([N+](=O)[O-])cc1OC 9582809 DQROEZSRRCXMCE-UHFFFAOYSA-N 443.412 2.533 5 40 IFBB O=C(NC(=S)Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])cc1 9012300 ISZFGVNDMZBFAQ-UHFFFAOYSA-N 428.211 2.721 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 9956201 JGHTUPCPUXGEQX-UHFFFAOYSA-N 443.403 2.760 5 40 IFBB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 13000293 DYAJFFUXDDJZRT-UHFFFAOYSA-N 442.515 2.910 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccccc1 31934194 HUSRKJFHMLINOV-ZPBCLNFZSA-N 449.488 2.815 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 222368585 OJHZNKYTUNGZPM-UHFFFAOYSA-N 435.502 2.808 5 40 IFBB CC[C@@H](C(=O)NCc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534634 ZLVSOQAHMYEPNF-KRWDZBQOSA-N 435.502 2.773 5 40 IFBB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772401 RERHAYJEEZDYDM-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1 408730254 GIFGSWWBHQHCOM-LVSKKATPSA-N 449.488 2.815 5 40 IFBB C[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12882693 YVFSJPFJWHAWLB-HWPZZCPQSA-N 433.804 2.908 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@@H]1C 108322065 IYXQKNVLLSQGHI-HUBLWGQQSA-N 425.869 2.605 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)c([N+](=O)[O-])c1 408575221 TVJBVUMIGNCEEI-UHFFFAOYSA-N 443.456 2.751 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16186295 QLFOWVMRVCRUCU-UHFFFAOYSA-N 429.433 2.540 5 40 IFBB COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]2CS(=O)(=O)C[C@H]21 32640675 OEXDRIWUCQPADP-NVXWUHKLSA-N 433.511 2.878 5 40 IFBB COC(=O)C1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 37355754 HUNZLQQOLDTSCI-OAHLLOKOSA-N 431.474 2.687 5 40 IFBB COc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 40115987 KYJCTWBQYVEGRF-RISCZKNCSA-N 425.850 2.753 5 40 IFBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 89768291 SQBMBKAQXPSMQH-UHFFFAOYSA-N 427.413 2.762 5 40 IFBB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023328 USODAHCZOUDJLM-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB Cn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1cccc([N+](=O)[O-])c1 409147416 WJTOGEGMKIXMHF-UHFFFAOYSA-N 430.402 2.735 5 40 IFBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)S[C@@H](C)C2 11726529 MNKJHOHYVUXNCC-NSHDSACASA-N 436.515 2.565 5 40 IFBB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 16687780 HIJLDIUDMDBOMZ-UHFFFAOYSA-N 429.429 2.869 5 40 IFBB O=C1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399724 BXWJDFVZYPXCED-CQSZACIVSA-N 438.375 2.625 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 44902109 LBSGLOSTJGFWHH-UHFFFAOYSA-N 425.894 2.981 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN([C@H]2CCSC2)CC1 79076597 FFOSTKCOZKDUTP-NSHDSACASA-N 425.454 2.516 5 40 IFBB COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 220381719 LHKWQQSBECPJJW-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(c2ccccc2O)CC1 9403916 ZCALYGNZMXQVLJ-UHFFFAOYSA-N 431.392 2.921 5 40 IFBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2OC)cc1[N+](=O)[O-] 9616763 CXPCFURTLQWURZ-UHFFFAOYSA-N 442.881 2.558 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11990794 BYOFVPUEDDYENS-HUBLWGQQSA-N 447.416 2.631 5 40 IFBB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 24596478 ZDABISFRHDYZCV-UHFFFAOYSA-N 435.440 2.648 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 100077695 CJFCGLDRIYXXAK-NVXWUHKLSA-N 442.815 2.546 5 40 IFBB COC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C 220389096 YTOKIKXLENMXMO-CQSZACIVSA-N 449.485 2.791 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])c1 9662787 RIMZKVLKYSVZCI-UHFFFAOYSA-N 425.438 2.782 5 40 IFBB Cc1cccc(C)c1OC[C@H](O)Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21 12848268 AXNBJAVTEGMBJR-GOSISDBHSA-N 438.484 2.962 5 40 IFBB CCOC(=O)C1=C(N)O[C@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16682556 XJJJMFWPPXFHSX-JYJNAYRXSA-N 433.417 2.724 5 40 IFBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100575495 JYSHPOZBFNJAAJ-GNTOHDJUSA-N 431.404 2.931 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 103159710 WXAQPJPABGAKLU-SLEUVZQESA-N 431.417 2.925 5 40 IFBB CC[C@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546193 YBPLUNXNNIGKFY-GOSISDBHSA-N 447.513 2.733 5 40 IFBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N1 409030345 FLWUZPKJQDKRCJ-MTGKDYNDSA-N 449.488 2.707 5 40 IFBB COc1cccc2c1ccn2CCC(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 524729903 NVFFPSSFPDZDFK-JKSUJKDBSA-N 436.468 2.756 5 40 IFBB biogenic CC(=O)N1CCN(c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])CC1 11512650 WPOFLEXRMHXZCH-UHFFFAOYSA-N 448.426 2.795 5 40 IFBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 12522198 HMMSOLGVGCAIJC-UHFFFAOYSA-N 445.906 2.607 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(C)=O)N1C=Cc3ccccc3[C@H]21 103966662 UPBYRKFPAKVBFS-XSDIEEQYSA-N 433.420 2.708 5 40 IFBB CCN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)CC1 5217242 VUKNRQIYKAIHTF-UHFFFAOYSA-N 425.537 2.568 5 40 IFBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)c([N+](=O)[O-])c1 8647432 TUQIHJJBTUZFKY-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 11758619 HMDSNOWKFRWNAH-UHFFFAOYSA-N 425.405 2.989 5 40 IFBB CC(=O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17095791 OSWZMOUKUDHNOV-UHFFFAOYSA-N 428.470 2.761 5 40 IFBB COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 32901575 JVZRWFTVWLQAFS-UHFFFAOYSA-N 425.850 2.950 5 40 IFBB COc1cc([C@H]2N[C@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])ccc1O 33929650 LWFVMHYOVYRDHE-WTGUMLROSA-N 447.444 2.817 5 40 IFBB O=C1C[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399722 QJLIKTVTLWPWJB-LBPRGKRZSA-N 438.375 2.625 5 40 IFBB COc1ccccc1CNC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470761 NQSFZKASIJSBKJ-QGZVFWFLSA-N 449.511 2.979 5 40 IFBB CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21 100557082 IRFNUUFXOSNMJP-UHFFFAOYSA-N 445.479 2.506 5 40 IFBB CCc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 223312203 KPSQRMUBPPWCQG-AWEZNQCLSA-N 435.502 2.809 5 40 IFBB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224100534 XTWKHNSJUPSUQG-KRWDZBQOSA-N 449.529 2.870 5 40 IFBB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408662589 KHSUIHHMNVNGLH-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409066578 PAIQIGXRSAGVNQ-ONUAPLEPSA-N 431.220 2.661 5 40 IFBB COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 9960787 NRCYBKPNTVJMPZ-IBGZPJMESA-N 432.820 2.663 5 40 IFBB CCCCNC(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 29966384 JDDLMAKTDUJTPV-UHFFFAOYSA-N 433.387 2.560 5 40 IFBB CC[C@@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224037115 OXQQQFCJVALZLW-IBGZPJMESA-N 449.529 2.951 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 408672835 XKAUTTSVWNWBLE-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB CS(=O)(=O)c1ccc(C(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1[N+](=O)[O-] 3305654 GZNBCSXWSPGRBM-UHFFFAOYSA-N 443.433 2.950 5 40 IFBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 19162847 WRTCAEUZBQWJEU-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 20802362 MKKSNLBGWHOXHE-RBUKOAKNSA-N 438.440 2.706 5 40 IFBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 139090563 NJSOZMGWMSOBLK-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB NC(=O)OC[C@H](COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1624693 PRZKFAPINLZRBT-HNNXBMFYSA-N 439.764 2.856 5 40 IFBB COCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3ccccc3c(=O)c2c1=O 2438618 ABKCFISXPHPMMD-UHFFFAOYSA-N 438.436 2.842 5 40 IFBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1CCCO 3454961 TVZDSQPJKGPUPV-UHFFFAOYSA-N 429.454 2.846 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 10008495 GCAQVUAHJNLYSQ-AWEZNQCLSA-N 449.485 2.651 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 10756052 HDBFFVZDHMCRTP-LBPRGKRZSA-N 425.488 2.704 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1 12941548 OGPFCHCSLUANIN-UHFFFAOYSA-N 433.848 2.700 5 40 IFBB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]23)cc1 100204567 KDZGOUZYBVKMTF-PUFBLQPOSA-N 433.420 2.778 5 40 IFBB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220037256 AXOGNRXJFZQZKE-HNNXBMFYSA-N 435.502 2.561 5 40 IFBB O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 2794647 VWXIWKHHSDYIBQ-UHFFFAOYSA-N 435.440 2.564 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC[C@H]4CCCO4)c(=N)n3C3CCCCC3)c(=O)n2c1 16750865 LZCOBUDGZOBTHZ-QGZVFWFLSA-N 435.528 2.851 5 40 IFBB O=C(O)c1ccc(CNC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 20153350 WAOAFJTYPNQEAQ-UHFFFAOYSA-N 428.470 2.698 5 40 IFBB COC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 10213206 ZYRODJBPDAEDES-MRXNPFEDSA-N 442.453 2.637 5 40 IFBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 32835949 URKWTPRPXFVFBZ-UHFFFAOYSA-N 438.366 2.645 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851636 YUSCMPHGYDSGAM-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB Cn1c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br 40068968 OKBUASFCSQQUKS-LBPRGKRZSA-N 447.083 2.922 5 40 IFBB CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224087143 NDKJSBBCMLTHOF-MRXNPFEDSA-N 429.473 2.578 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 9846229 VHLOVYNKEAQTAJ-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB Cc1ccc(C)c(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 89623879 IFNRVXYNDQCGMY-UHFFFAOYSA-N 436.486 2.690 5 40 IFBB CC[C@@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547021 TZQCMEQPCKWHRX-AWEZNQCLSA-N 447.579 2.796 5 40 IFBB CC[C@H](C(=O)NCCSC1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223777399 ZFYZEVVEMHMUSN-QGZVFWFLSA-N 429.564 2.931 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 15952818 LOEUXBUATRGTDE-SFHVURJKSA-N 443.507 2.546 5 40 IFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 59416446 PNECACSGKDMMOY-SJLPKXTDSA-N 426.816 2.880 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 408653943 QEALQNNXTZDKQW-OALUTQOASA-N 433.420 2.786 5 40 IFBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)NCc1ccco1 2437681 LOSHGZBDYTYCDM-UHFFFAOYSA-N 439.526 2.867 5 40 IFBB COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(C(C)=O)cc3)CC2)c([N+](=O)[O-])c1 8855462 UIVJKZLYSSJMGW-UHFFFAOYSA-N 426.429 2.938 5 40 IFBB Cn1c(=O)c2c(SCc3ccc([N+](=O)[O-])cc3)nc(-c3cccs3)nc2n(C)c1=O 9411609 LAJQNULTPXUFJP-UHFFFAOYSA-N 441.494 2.956 5 40 IFBB CCOC(=O)N1CCN(c2ccc(C(=O)c3ccccc3C(=O)OC)cc2[N+](=O)[O-])CC1 29232365 XKNCYTZHPWRLAR-UHFFFAOYSA-N 441.440 2.891 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900070 UMKCVPTZIIDMLQ-UHFFFAOYSA-N 435.458 2.620 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1nnc(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 225238081 VKDRWVKGPGGZOA-UHFFFAOYSA-N 433.471 2.518 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 9359647 ALIPBAZNQJSQLD-FFGOWVMKSA-N 430.420 2.500 5 40 IFBB COc1cc(C(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)c([N+](=O)[O-])cc1OC 10220790 KBCLPDDHCNTXPP-UHFFFAOYSA-N 435.458 2.577 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 103527092 YUSCMPHGYDSGAM-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 138608817 ZNZZMGZPSDXIKR-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCCC3)CC2)cc1[N+](=O)[O-] 12645403 LPNCYXZVSCOQQG-UHFFFAOYSA-N 438.550 2.734 5 40 IFBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 13576307 ACAMOXOLVGNROB-INIZCTEOSA-N 425.444 2.948 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113888856 KIOYABCDMGVYGJ-UHFFFAOYSA-N 443.821 2.915 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408664654 CUDDFQWVRGDUGW-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 20041066 XKWBCCZWFJFZCG-UHFFFAOYSA-N 448.482 2.733 5 40 IFBB Nc1nc(CCCN2CCOCC2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 20462680 JYFSDHLBILYHEO-UHFFFAOYSA-N 440.548 2.691 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223453584 HYCLMUHKPDLONL-SFHVURJKSA-N 445.472 2.544 5 40 IFBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225696581 BIZWQQDSYNGQBW-KRWDZBQOSA-N 443.500 2.967 5 40 IFBB CNc1ccc([N+](=O)[O-])cc1-n1cc2c(c1-c1ccc(OC)cc1)c(=O)n(C)c(=O)n2C 8659832 LPZRVAWODKMVIP-UHFFFAOYSA-N 435.440 2.653 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408574514 ROQCMEOEUQOORP-UHFFFAOYSA-N 442.428 2.951 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1 9356455 DXCMICNGJXAFSE-UHFFFAOYSA-N 435.458 2.649 5 40 IFBB O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 22527976 CHNPWWWAVCFIRG-UHFFFAOYSA-N 449.467 2.526 5 40 IFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 100942496 QLVUYWXSVLLTJQ-DOTOQJQBSA-N 442.815 2.546 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(C(C)=O)cc2)c1 138596140 PECGHGBMDNWRQD-UHFFFAOYSA-N 443.412 2.707 5 40 IFBB CC[C@@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222512581 FNCVEMQWFIKGIZ-IBGZPJMESA-N 435.502 2.807 5 40 IFBB COC(=O)c1cn(C(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc12 222600621 NYECWUZMHBSJFN-UHFFFAOYSA-N 445.453 2.751 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 14400492 GRRQQPOACLIGID-UHFFFAOYSA-N 425.438 2.927 5 40 IFBB COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 32967206 KIMCUBLBJCCEFM-INIZCTEOSA-N 444.440 2.923 5 40 IFBB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545409 UIDUQHYRNYGMIP-MRXNPFEDSA-N 437.474 2.795 5 40 IFBB CC(C)Sc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225098965 WTKZILGTWWBPCK-JTQLQIEISA-N 445.548 2.740 5 40 IFBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1[N+](=O)[O-] 253572495 QGFBQMYDZCAACH-OCCSQVGLSA-N 440.460 2.842 5 40 IFBB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8752924 VLDPEQZREGWKRN-JOCHJYFZSA-N 438.440 2.839 5 40 IFBB COC[C@@H](Nc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])C(=O)OC 36393678 HXIJKGPOUALMJI-LLVKDONJSA-N 444.217 2.630 5 40 IFBB Cn1c(=O)nc2n(-c3ccc(Br)cc3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497857 ZAQWPJFKSYGTLM-UHFFFAOYSA-N 427.214 2.860 5 40 IFBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 13580770 WEDJOWSZCCQIGY-ZDUSSCGKSA-N 437.449 2.782 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C 45221710 OLFNAISOLPOLIZ-CQSZACIVSA-N 443.460 2.929 5 40 IFBB COc1ccccc1CNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57517082 DWWBNZHFLLJQHW-UHFFFAOYSA-N 435.484 2.590 5 40 IFBB O=c1nc2s/c(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2nc1-c1ccccc1 16730624 YBOUPPSQCZCALH-LDADJPATSA-N 444.428 2.894 5 40 IFBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 21177108 CJBSCRBHVMLTJI-AWEZNQCLSA-N 431.420 2.605 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1 408656731 OCZMFDICHAMLCZ-ZBFHGGJFSA-N 441.440 2.695 5 40 IFBB Cc1nn(-c2cc(N3CCN(C(=O)C(C)C)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4199568 SEEPBBDVBCOQCE-UHFFFAOYSA-N 435.484 2.907 5 40 IFBB O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 12910629 QBWNQCKTRWNHDJ-UHFFFAOYSA-N 432.454 2.650 5 40 IFBB COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 14022880 YCYUAKSHELKHGN-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB COc1cc(/C=C/C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc2c1OCCO2 58025399 RLOUCOBVAPYLGJ-AATRIKPKSA-N 439.468 2.732 5 40 IFBB CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)sc2cc([N+](=O)[O-])ccc21 100821185 NGUNUBNMRNIQRQ-HNENSFHCSA-N 434.499 2.622 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]2[C@@]2(C)C[C@H]3CC(C)(C)C2)C1=O 101325315 DHODMZNNQNKHKU-ZWWNWMABSA-N 440.500 2.961 5 40 IFBB COc1ccc(Cl)cc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408643529 AKYXLXVHHHKCIG-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 12700464 VFIMXRXHFQPNHJ-QGZVFWFLSA-N 446.529 2.627 5 40 IFBB CC(=O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17095793 WFJIFGKVIJJYPE-UHFFFAOYSA-N 428.470 2.761 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1 40005722 KKKNZLFYSJJSJD-UHFFFAOYSA-N 429.502 2.607 5 40 IFBB CCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101168586 XDKGWDVPQNEDSY-QQTULTPQSA-N 434.452 2.878 5 40 IFBB NC(=O)OC[C@@H](COc1ccc(Cl)cc1)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8653212 PRZKFAPINLZRBT-OAHLLOKOSA-N 439.764 2.856 5 40 IFBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25830480 XRNPKUBRZDLVPY-GDBMZVCRSA-N 425.441 2.939 5 40 IFBB CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc(F)ccc1OC 39986373 GZXMSFXMACLVHF-UHFFFAOYSA-N 425.438 2.700 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(CC(=O)N2CCc3ccccc32)CC1 59419180 VZGGPLIZAOWJRH-UHFFFAOYSA-N 428.876 2.595 5 40 IFBB CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 18891986 DRFXVYHXBHDUKI-UHFFFAOYSA-N 439.516 2.826 5 40 IFBB COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 408563296 KZAISGKXLDHXEZ-GOSISDBHSA-N 439.346 2.870 5 40 IFBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCCCc1ccccc1 10021751 DZUAYAYZFGVCOU-UHFFFAOYSA-N 447.513 2.507 5 40 IFBB CNc1ccc(C(=O)c2ccccc2C(=O)NCc2nnc3ccccn23)cc1[N+](=O)[O-] 28436570 QPUHTLFBRZKQPA-UHFFFAOYSA-N 430.424 2.840 5 40 IFBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc([N+](=O)[O-])c1O 106757399 YQSHABHLCJDSIB-GDNBJRDFSA-N 435.458 2.748 5 40 IFBB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220216157 HFRVQEOUYKRLNF-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223587196 UTZMJGUPTGRZPU-MRXNPFEDSA-N 429.473 2.844 5 40 IFBB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 409208603 CTXUZLCPGGDVLT-MFOYZWKCSA-N 427.438 2.962 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 20802074 ZYBSJQKINYWSSO-OALUTQOASA-N 438.440 2.706 5 40 IFBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)cc1OCC 22990063 AAHYLEXKWOQWOT-UHFFFAOYSA-N 425.463 2.597 5 40 IFBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nnc(CN2CCOCC2)n1-c1ccccc1 408602503 BYQLCNCKEDFAFZ-UHFFFAOYSA-N 425.470 2.971 5 40 IFBB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12822509 VLYWTOMMZFYQKT-UHFFFAOYSA-N 428.470 2.531 5 40 IFBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2cc(C(=O)OCC)ccc21 100877219 WSMSEINHADIZDE-VXPUYCOJSA-N 447.425 2.685 5 40 IFBB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)nc1 9508008 PWMBVNXGOMXSFR-UHFFFAOYSA-N 438.893 2.991 5 40 IFBB COc1ccc(OC)c(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 138523139 UOEXVJWRINJUCB-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220034274 IHKCJZZWUFJPML-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O 223434342 UJYZYYFXHYRXSV-UHFFFAOYSA-N 427.866 2.657 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408701809 GBRIPVCPCJNJIX-UHFFFAOYSA-N 439.877 2.830 5 40 IFBB C[C@@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1 9982791 RTSDMDCDOGEXBT-GFCCVEGCSA-N 444.513 2.969 5 40 IFBB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 12993541 SSQORYWCPROPQX-HXUWFJFHSA-N 433.530 2.872 5 40 IFBB O=C(O)/C=C/C(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 113561200 CJCAFRQXYYATSM-ROJDOSBLSA-N 441.421 2.598 5 40 IFBB COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 220235356 XFWGHMCGHOLRDF-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641848 DDLJAYCEVWOQMD-DZGCQCFKSA-N 442.424 2.780 5 40 IFBB O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 8917342 RQAZXKFVJUWVBV-QGZVFWFLSA-N 438.889 2.843 5 40 IFBB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C)(C3)C2 13109747 RZAQHQXZEGUDNW-MBWAJUJLSA-N 429.473 2.860 5 40 IFBB COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 19171538 ZUGSKSUVRQAMHQ-FHWLQOOXSA-N 442.859 2.792 5 40 IFBB O=[N+]([O-])c1cc(-n2cnnn2)ccc1N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 32809720 YFWQQVCEWNWDEN-UHFFFAOYSA-N 434.382 2.701 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c([N+](=O)[O-])c1 408571782 FYEZZNCWBMUCHN-UHFFFAOYSA-N 442.428 2.951 5 40 IFBB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 409209401 FFMUCKOSGJUBEU-MFOYZWKCSA-N 443.437 2.662 5 40 IFBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC(F)F)cc2)C1=O 9683066 CTBZDZIKDMYWPY-HXUWFJFHSA-N 448.382 2.910 5 40 IFBB COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 3178063 LQKKHSYOGFXJLD-VXKWHMMOSA-N 442.532 2.801 5 40 IFBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@]21O 13374578 ICLRNDIRYAEKCT-GGAORHGYSA-N 426.421 2.814 5 40 IFBB biogenic,in-vitro CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1S(=O)(=O)N(C)C 21633689 OCUFAZSBWOFQQR-UHFFFAOYSA-N 434.518 2.621 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)N(CCO)CCCN1C(=O)c2cccc3cccc(c23)C1=O 33756748 JBAQCWKOENJJCS-UHFFFAOYSA-N 447.447 2.869 5 40 IFBB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 408557570 OUAXGVYXSUBIPR-IBGZPJMESA-N 436.428 2.784 5 40 IFBB CCOc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2 3009145 PLHPOILKSZBWLR-UHFFFAOYSA-N 442.453 2.860 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(C)=O)[C@@H]2C1=O 35999980 UPBYRKFPAKVBFS-IVAOSVALSA-N 433.420 2.708 5 40 IFBB COc1ccc(CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@@H]2CCS(=O)(=O)C2)cc1 49622797 VOVPHAIAJHVWMF-MRXNPFEDSA-N 443.481 2.914 5 40 IFBB O=C(CNS(=O)(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1)NC1CCCCC1 9130935 MHGGPAMXLXUEMV-UHFFFAOYSA-N 436.490 2.527 5 40 IFBB CNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1[N+](=O)[O-] 9282926 WYGLKAVHYSAIBR-JTQLQIEISA-N 446.485 2.717 5 40 IFBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)C3=O 20308567 CZLPIDAOBKIFAK-OAQYLSRUSA-N 449.463 2.887 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964816 UKKAHFXCZVIOQG-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523897 KVLRMRSMNFTFBN-MRXNPFEDSA-N 436.446 2.995 5 40 IFBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(I)c1 3294290 YOYIFLMGQRIYBB-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB COC(=O)N[C@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 6136538 LSMXSLAWPLGQJK-VIFPVBQESA-N 431.685 2.942 5 40 IFBB COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCC(N)=O 16195367 WZUZGOMXQKDUMD-UHFFFAOYSA-N 443.287 2.976 5 40 IFBB CC(C)(C)NS(=O)(=O)c1ccc(N2CCC(c3nnc4n3CCC4)CC2)c([N+](=O)[O-])c1 40149299 QLVVUKPHMRBVLN-UHFFFAOYSA-N 448.549 2.593 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 101139573 ATQAGCRJJKFOMI-VUEDXXQZSA-N 446.415 2.946 5 40 IFBB O=C1[C@@H]2[C@@H](c3ccc(F)cc3)N3CCCN3[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102691606 TTXAYVNAUGHDQE-KZNAEPCWSA-N 430.823 2.923 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 408677367 BULPOGIRZDWNSP-LVNJIZSUSA-N 445.431 2.642 5 40 IFBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1F)C(F)(F)F 8701986 IFNJIROTASUQQI-MRXNPFEDSA-N 430.314 2.512 5 40 IFBB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729479 OLXKTOQYNKIHMF-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB COC(=O)c1cc(C(=O)N[C@@H](CCSC)c2nnc3ccccn23)cc([N+](=O)[O-])c1 12885676 NFYXDIUUNBHEBW-HNNXBMFYSA-N 429.458 2.648 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)c([N+](=O)[O-])c1 408572020 GEGBGRDENWDHJL-UHFFFAOYSA-N 441.440 2.505 5 40 IFBB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 5899035 YDLBOVOBJIOHNI-UHFFFAOYSA-N 426.517 2.576 5 40 IFBB COc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])cc1OC(F)F 10209003 CUKQXBXYFYONMB-UHFFFAOYSA-N 436.323 2.658 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Cn2ccnc2)c1 32916270 SFKAFICNVRGMHA-UHFFFAOYSA-N 443.485 2.604 5 40 IFBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC 3341987 CVDNHSVOXSCWCF-LLVKDONJSA-N 432.385 2.567 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 13148627 BDJJFTPNCHVQQN-UHFFFAOYSA-N 431.832 2.649 5 40 IFBB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225038426 OOOKNTRLCPXAFH-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-] 9877269 HXOMCIVQSWBVNL-UHFFFAOYSA-N 427.866 2.894 5 40 IFBB CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1 19629764 VNUFPTBWHARHJJ-UHFFFAOYSA-N 439.516 2.826 5 40 IFBB CN(C)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57710612 YELRZCMOWHQIRX-UHFFFAOYSA-N 434.500 2.970 5 40 IFBB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3421556 UTUMMRSZSTVBSL-FQEVSTJZSA-N 439.424 2.733 5 40 IFBB O=C(Nc1ccc(F)cc1)c1nnc(Cn2nnc(-c3cccc([N+](=O)[O-])c3)n2)s1 78876844 PQQQURACWCHLEO-UHFFFAOYSA-N 426.393 2.540 5 40 IFBB CN(C)S(=O)(=O)c1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)ccc1Cl 9630802 XZKWGPFWKSZOJA-UHFFFAOYSA-N 449.876 2.937 5 40 IFBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25830468 XRNPKUBRZDLVPY-ZBFHGGJFSA-N 425.441 2.939 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-] 100929231 URKMBVGYVBCIRQ-JOCLIGHLSA-N 441.509 2.674 5 40 IFBB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224745782 GVIPYBVAYWDQAV-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 32945172 IYXQKNVLLSQGHI-ZOWXZIJZSA-N 425.869 2.605 5 40 IFBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O 40399112 UWWBBYYYRRVUCU-UHFFFAOYSA-N 445.435 2.550 5 40 IFBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 108875832 GYYPUIVELSQNGM-CVYDXHPNSA-N 431.489 2.529 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 223067169 ZEBJOQIMHOXXFJ-BIENJYKASA-N 434.500 2.962 5 40 IFBB CCN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9596568 MRCWQYUMJUGHLY-UHFFFAOYSA-N 441.893 2.584 5 40 IFBB CCCNC(=O)[C@H]1CN(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c2ccccc2O1 12565042 NYWRRPKSEREPLB-HXUWFJFHSA-N 426.473 2.944 5 40 IFBB COc1ccccc1CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222373768 FOQIOXZKUBHAMR-UHFFFAOYSA-N 435.502 2.774 5 40 IFBB COc1cc(CC(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(OC)c1OC 3296163 LJFGCYBPMAOXOD-UHFFFAOYSA-N 438.820 2.998 5 40 IFBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 8825755 JKXGITADPGUZRB-HNNXBMFYSA-N 425.441 2.566 5 40 IFBB CCN(CC(=O)NCc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 9127588 PECPQNVRWBTVGK-UHFFFAOYSA-N 425.894 2.794 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 408611843 WZIXLKOUECCILB-NSHDSACASA-N 427.866 2.871 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4008883 HMXCSNDPAQCORK-YQMDMEMYSA-N 446.415 2.946 5 40 IFBB Cn1ccnc1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 29081146 NLAYRDVASOUJJZ-HXUWFJFHSA-N 439.447 2.823 5 40 IFBB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)c1 97985988 DXMMYGIEYWYHCH-LDADJPATSA-N 441.465 2.999 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1ccccc1 253486881 ALIPBAZNQJSQLD-FRYIKTPZSA-N 430.420 2.500 5 40 IFBB COCCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nc2ccccc2c1=O 3493655 VZAFNKZACRXGFH-UHFFFAOYSA-N 428.470 2.990 5 40 IFBB Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)cc2c1 59855927 XAGWGVLFTJQAIL-UHFFFAOYSA-N 429.454 2.796 5 40 IFBB COc1ccc(OC)c(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 12938147 ILBAEXMBCSLJJN-GOSISDBHSA-N 449.485 2.794 5 40 IFBB CC(C)C(=O)Nc1ccc(C(=O)CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 8752928 VLDPEQZREGWKRN-QFIPXVFZSA-N 438.440 2.839 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224832598 KHCJMSIIGDCQKO-UHFFFAOYSA-N 427.523 2.846 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1[N+](=O)[O-] 408662303 XSHUEGICORLHBB-AWEZNQCLSA-N 427.369 2.590 5 40 IFBB CCOc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296381 OAHDQXLLQVEJIM-SFHVURJKSA-N 432.400 2.837 5 40 IFBB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533346 XBADBWZGYUKVSW-KRWDZBQOSA-N 449.485 2.873 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 862385 UMYQYMNRIZXVEW-UHFFFAOYSA-N 439.877 2.830 5 40 IFBB COc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] 13135066 NQUOJNZWBNGLFI-UHFFFAOYSA-N 427.866 2.872 5 40 IFBB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)nc1C 14269911 OMEAERGNKCOHIJ-UHFFFAOYSA-N 449.514 2.873 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253566645 JENKXOHFQZBZKO-TZMCWYRMSA-N 440.460 2.842 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408655621 HWCLVYRYQVNIFE-KDURUIRLSA-N 449.419 2.846 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 408657781 PJGWNLZMJHCEOH-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1cccc(Br)c1 9715241 SUTYQILCEJYGQU-UHFFFAOYSA-N 438.234 2.557 5 40 IFBB CC(C)N(Cc1ccccc1)C(=O)COC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 12908395 BPFRXXWXQWFQBC-UHFFFAOYSA-N 445.497 2.766 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C1=O 13572217 FRGSXXLVPZYBBX-VQIMIIECSA-N 434.452 2.550 5 40 IFBB CN(Cc1ccc(F)cc1F)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 24207374 QEJRIQMFHWQQDN-UHFFFAOYSA-N 427.429 2.530 5 40 IFBB Cc1ncc([N+](=O)[O-])n1S(=O)(=O)c1cc(Br)ccc1Br 786175 ZJFGGBFKQYLLGY-UHFFFAOYSA-N 425.058 2.862 5 40 IFBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1N 3368426 TXLRNURZIBLDOF-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100627168 CAZSYYCIXUMFRX-UHFFFAOYSA-N 436.475 2.502 5 40 IFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccncc1 102920171 IFJMFLKZNPWLKY-SZXQPVLSSA-N 445.479 2.851 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 220386635 OGKWVDYCHQXKQZ-AWEZNQCLSA-N 441.531 2.700 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCN(c2ccccn2)CC1 9754542 PEYDJYLFMGWSLR-UHFFFAOYSA-N 445.545 2.881 5 40 IFBB CCn1c(SCC(=O)c2ccc(C)c([N+](=O)[O-])c2)nc2cc(S(N)(=O)=O)ccc21 9877351 UENNDEGXIHOMRZ-UHFFFAOYSA-N 434.499 2.895 5 40 IFBB Cc1onc(C(=O)N2CCN(Cc3ccccn3)CC2)c1COc1ccc([N+](=O)[O-])cc1 13641188 YZFCAVARPNLVKG-UHFFFAOYSA-N 437.456 2.823 5 40 IFBB C[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14252898 YUIDUEGVRZSRQA-MGPLVRAMSA-N 433.804 2.908 5 40 IFBB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12 102707483 ZUGSKSUVRQAMHQ-CEXWTWQISA-N 442.859 2.792 5 40 IFBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1OC 409313654 QNWLUUWTTSAIRY-ARJAWSKDSA-N 445.169 2.588 5 40 IFBB Nc1nc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)ccc1[N+](=O)[O-] 95468986 AHKIDGUXTKBJPX-UHFFFAOYSA-N 435.440 2.900 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(C)=O)N1c3ccccc3C=C[C@H]21 103907253 LSBXBYVHMIJRLS-OTNPHJDUSA-N 433.420 2.582 5 40 IFBB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225406157 XXBPJOUETMGTOU-ZDUSSCGKSA-N 435.864 2.799 5 40 IFBB COCCn1c(C(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)cc2ccccc21 524730041 SFEYLZMRGHZJPI-RDJZCZTQSA-N 436.468 2.617 5 40 IFBB biogenic COc1ccc(S(=O)(=O)Nc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 9224138 QMKLFQSVQPIIGM-UHFFFAOYSA-N 445.247 2.938 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 100077697 CJFCGLDRIYXXAK-DOTOQJQBSA-N 442.815 2.546 5 40 IFBB CCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101113855 KMFCABAJHOHEFI-UHFFFAOYSA-N 431.496 2.786 5 40 IFBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N1 409041718 JIDCFKFISKPEAI-LVSKKATPSA-N 449.488 2.707 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9372927 CRYBRGCBKHCHON-GOEBONIOSA-N 441.440 2.522 5 40 IFBB CCN(CC(=O)NC(C)(C)C)C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9878267 ZNYUDFNPBIRXPF-UHFFFAOYSA-N 433.431 2.972 5 40 IFBB O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 17095245 KEJDHQNGVQPTBL-UHFFFAOYSA-N 427.200 2.970 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 4143554 CJFCGLDRIYXXAK-RDJZCZTQSA-N 442.815 2.546 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 12795338 NYVHVZIFUPZZCJ-CQSZACIVSA-N 442.472 2.987 5 40 IFBB CCOC(=O)C[C@H](NC(=O)Cn1c(=O)sc2ccccc21)c1cccc([N+](=O)[O-])c1 12413200 FHWDYRZZXLLACH-HNNXBMFYSA-N 429.454 2.782 5 40 IFBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 13131229 QUOLYMHUWJNYSU-QGZVFWFLSA-N 436.424 2.779 5 40 IFBB COc1ccccc1N1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 20649068 CVWUYMPLYPVLFY-UHFFFAOYSA-N 425.489 2.564 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 101336469 WIQMGZPVMIKVIS-NMLBUPMWSA-N 437.427 2.877 5 40 IFBB C[C@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 40042806 DCVFZRATZUIRNX-VIFPVBQESA-N 433.364 2.667 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1 40398998 ZEBJOQIMHOXXFJ-PJIJBLCYSA-N 434.500 2.962 5 40 IFBB CCOc1ccccc1CNC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220394934 ISIKEVMWHQVQLE-HNNXBMFYSA-N 435.502 2.773 5 40 IFBB O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)Nc1cc([N+](=O)[O-])ccc1F 3427883 NXGQGBRWLJZYMC-UHFFFAOYSA-N 432.332 2.526 5 40 IFBB COc1ccc(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355751 ATQQVZSHSBWLLR-UHFFFAOYSA-N 433.486 2.951 5 40 IFBB COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12771204 SEFKBSSFLWJTRQ-UHFFFAOYSA-N 433.486 2.708 5 40 IFBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCC1 12823777 QAXZLQQNPDOTHC-KRWDZBQOSA-N 440.566 2.538 5 40 IFBB O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 85433131 CBCIHIVRDWLAME-UHFFFAOYSA-N 439.209 2.879 5 40 IFBB in-vivo CC[C@H](C(=O)NCCOc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224037170 OXQQQFCJVALZLW-LJQANCHMSA-N 449.529 2.951 5 40 IFBB COc1cc(/C=C2/SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 3977182 XCFXGKFCUHHNBY-NTEUORMPSA-N 435.439 2.510 5 40 IFBB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 408548509 HYBCUGZYHPMWBM-VCHYOVAHSA-N 434.408 2.664 5 40 IFBB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 9381057 KNGYOIIEDMDQAP-UHFFFAOYSA-N 448.526 2.590 5 40 IFBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 10010527 ZFIMSGYMWGJBOJ-UHFFFAOYSA-N 432.864 2.934 5 40 IFBB CC[C@@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223497073 JRUFSNBXCCYVJG-SFHVURJKSA-N 429.473 2.578 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 408689170 XTALIOLPMUHKNO-RTBURBONSA-N 433.420 2.786 5 40 IFBB C[C@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](C4OCCO4)C3)c([N+](=O)[O-])c2)C1 69221942 UECKCFOCOPIALP-HOTGVXAUSA-N 439.534 2.605 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C(=O)Nc3c(C)cccc31)N1CCC[C@H]21 103556483 KXONZDYINQEQJK-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1O 409022870 VDIWQVWTOFXPHF-OVCLIPMQSA-N 440.412 2.539 5 40 IFBB COc1cc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)[nH]c2cc1OC 524729690 FCWOHUGIBFKPBS-OCCSQVGLSA-N 438.440 2.515 5 40 IFBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3251195 UURCWUNJCOVCKQ-MCMMXHMISA-N 438.440 2.714 5 40 IFBB O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11990801 KOBVYOOJDQINFH-XUJVJEKNSA-N 431.417 2.925 5 40 IFBB COc1cc(OC)cc(C(=O)N[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 12807273 MIBPMODNOBTDFN-FQEVSTJZSA-N 427.457 2.956 5 40 IFBB COc1cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])c(OC)c1OC 24142881 ABHZPTLABRPNNW-UHFFFAOYSA-N 449.504 2.875 5 40 IFBB CCc1c(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cnn1-c1ccc([N+](=O)[O-])cc1 32721061 SHYLTVNNECRLPA-UHFFFAOYSA-N 432.440 2.852 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1Br 95954511 PVRZBMQHGNLSMW-UHFFFAOYSA-N 449.304 2.870 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408655622 HWCLVYRYQVNIFE-OALUTQOASA-N 449.419 2.846 5 40 IFBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)ccc1N1CCOCC1 9670278 ASTWYNATDLLWTN-UHFFFAOYSA-N 432.864 2.843 5 40 IFBB CCN(CC)C(=O)[C@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 12907388 MTAPXMQLIHZPKU-GOSISDBHSA-N 434.470 2.765 5 40 IFBB O=C(c1ccc(-n2cnnn2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25174922 NCQJIEFABHFEOE-UHFFFAOYSA-N 447.377 2.552 5 40 IFBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 25830474 XRNPKUBRZDLVPY-HOCLYGCPSA-N 425.441 2.939 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451731 NOOIWGYQWCJIRB-JTQLQIEISA-N 429.401 2.675 5 40 IFBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1O 409107368 PBNADSRVRYPPDJ-CXUHLZMHSA-N 440.412 2.539 5 40 IFBB CCCn1c(C)cc(C(=O)COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C 9383869 RGOGAITWQAHRKA-UHFFFAOYSA-N 441.440 2.835 5 40 IFBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 28924113 FXMUALZJOSUHAG-KRWDZBQOSA-N 433.262 2.694 5 40 IFBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 58167974 VAUHDJWAVFFEEK-XMMPIXPASA-N 449.463 2.948 5 40 IFBB CC[C@@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516310 XWJLZHXKKQCIHR-INIZCTEOSA-N 437.474 2.795 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223954545 GHLCQWDELMKBPZ-KRWDZBQOSA-N 449.529 2.870 5 40 IFBB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225024715 MYSXUJRBLZTOGF-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409066570 PAIQIGXRSAGVNQ-KIUQOZPWSA-N 431.220 2.661 5 40 IFBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 409319158 BFQVPBDOZBCPSR-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 10255362 JBCDMEMGASDNEO-OAHLLOKOSA-N 430.486 2.550 5 40 IFBB COc1ccc(C(=O)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] 12949140 DSGDSLAITNJEKO-UHFFFAOYSA-N 435.820 2.787 5 40 IFBB CCOC(=O)c1sc2ncn(CC(=O)OCc3ccccc3[N+](=O)[O-])c(=O)c2c1C 408605899 NIRGHOGXBMDLIW-UHFFFAOYSA-N 431.426 2.595 5 40 IFBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc21 8825756 JKXGITADPGUZRB-OAHLLOKOSA-N 425.441 2.566 5 40 IFBB O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F 9372960 KOIZOZWQBZZOLL-UHFFFAOYSA-N 425.319 2.525 5 40 IFBB COc1ccc(S(=O)(=O)NCC(=O)OCc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1 16215655 AWROYLYBIQQQNY-UHFFFAOYSA-N 449.268 2.932 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22367496 ZDBANQWCUFBBMV-OAHLLOKOSA-N 435.502 2.864 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3CCC[C@@H]3[C@@H]2C1=O 36322419 WIQMGZPVMIKVIS-WCIQWLHISA-N 437.427 2.877 5 40 IFBB CC[C@@H](C(=O)NCCSCc1ccco1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520778 BYCXZDDHQCWJIQ-KRWDZBQOSA-N 441.531 2.782 5 40 IFBB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12926846 QKWMZUGILWYYSX-UHFFFAOYSA-N 435.527 2.682 5 40 IFBB CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35855236 MUDFLOGWSRAWHE-PLOUGOBLSA-N 446.463 2.588 5 40 IFBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222537236 GIWMYFLOOJYQSH-INIZCTEOSA-N 436.446 2.995 5 40 IFBB O=C(N[C@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9875191 BUPMJKGGRBYMIO-HXUWFJFHSA-N 444.513 2.762 5 40 IFBB CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 13138238 LBKPWYCRCGDNOU-UHFFFAOYSA-N 449.485 2.655 5 40 IFBB CS(=O)(=O)N(CC(=O)NCCOc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 223596593 YGYATWNVDHOTNF-UHFFFAOYSA-N 443.481 2.709 5 40 IFBB CS(=O)(=O)N(CC(=O)NCCCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 22347910 ZRELWSMWYSKHJU-UHFFFAOYSA-N 425.894 2.763 5 40 IFBB O=C(N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)C1(c2ccccc2)CCC1 25337612 ZUBHAQXSVNTFJQ-UHFFFAOYSA-N 429.498 2.550 5 40 IFBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(CCCOC(C)C)c3nc12 101065346 PZUNVOGPVDSXNV-UHFFFAOYSA-N 437.544 2.925 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220381076 WWOGXJIMZLXHJR-CQSZACIVSA-N 449.485 2.873 5 40 IFBB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9572805 QYODGKJVVCOCPA-INIZCTEOSA-N 443.891 2.885 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O 14068267 QKJDMUSOXMHNQH-DIFFPNOSSA-N 445.453 2.977 5 40 IFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35844138 DFFPYYJAFMBLNB-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Br 36556682 URMHWEAMLINOSQ-QWHCGFSZSA-N 447.289 2.577 5 40 IFBB Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(C(=O)NC(C)(C)C)CC1 95465317 YDRIKNUMEMQFAV-UHFFFAOYSA-N 432.930 2.807 5 40 IFBB COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 102982835 DOXGJOUXADKBAU-SFHVURJKSA-N 444.875 2.711 5 40 IFBB COc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409348287 RZQDWLRNQHLRMF-DHZHZOJOSA-N 438.396 2.993 5 40 IFBB CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 9353542 OUMKDLKVZGVFOK-UHFFFAOYSA-N 441.396 2.743 5 40 IFBB COc1cc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])cc1OC 16812209 QMRIQBCGHKGQQG-LBPRGKRZSA-N 442.424 2.949 5 40 IFBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 33929436 KOGKQDDNBIWGRO-WTGUMLROSA-N 443.412 2.846 5 40 IFBB C=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c/c(=N\NC(N)=S)c2ccccc2o1 102979545 HXNDNUNHSNUWDD-KGENOOAVSA-N 426.414 2.981 5 40 IFBB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540261 RKAPRZDKUWVOIO-QGZVFWFLSA-N 449.485 2.873 5 40 IFBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@H]1OC=C[C@@]21O 13374575 ICLRNDIRYAEKCT-FYYLOGMGSA-N 426.421 2.814 5 40 IFBB biogenic,in-vitro O=C([C@H]1COc2ccccc2O1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 15391690 PGDPSAPXUNSTFH-QGZVFWFLSA-N 426.454 2.693 5 40 IFBB CC(=O)c1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408670996 RIMBKALNTOEUEY-INIZCTEOSA-N 439.424 2.641 5 40 IFBB COc1ccc(-c2nnc(CN(C)C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc1OC 408714299 NJPOHKAQUNZZFP-UHFFFAOYSA-N 443.372 2.842 5 40 IFBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 35958831 HRSWXPBHQXZLBK-VBQJREDUSA-N 441.387 2.569 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(-n3cnc(-c4ccc(F)cc4)c3)c([N+](=O)[O-])c2)CC1 95947794 JFNRNTZPUVEXFX-UHFFFAOYSA-N 445.476 2.523 5 40 IFBB CC(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408670553 RETPSCRUTLAEON-INIZCTEOSA-N 439.424 2.641 5 40 IFBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 3557392 QWRJMYYJFIYJHQ-AKYRVGECSA-N 427.482 2.753 5 40 IFBB CCc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cc1 9663367 UNFLXUQOQCPFDD-UHFFFAOYSA-N 442.457 2.627 5 40 IFBB C[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222864025 QXBMOVYIWNQOFY-LBPRGKRZSA-N 447.498 2.907 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248379096 LSBXBYVHMIJRLS-MBPVOVBZSA-N 433.420 2.582 5 40 IFBB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=S)n1C 409160465 YQXVRHRACQPGDF-UHFFFAOYSA-N 440.485 2.736 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399220 FUAQWZZJVXHZGH-AWEZNQCLSA-N 434.412 2.795 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100628081 XMXXCZFKMJNSRO-UHFFFAOYSA-N 437.544 2.926 5 40 IFBB Cc1c(N(CC(=O)NCCOc2ccccc2C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 223799922 GLANXERDFBDQQG-UHFFFAOYSA-N 449.529 2.988 5 40 IFBB O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCOc2ccccc21 611526974 YBPLHIXRCIIKBG-MRXNPFEDSA-N 445.497 2.811 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1N1CCC(O)CC1 15173041 GCSMMLBBTCKIOZ-UHFFFAOYSA-N 443.428 2.958 5 40 IFBB CCOCCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1cccnc1 19531028 PPJQOZMFUGUBNS-UHFFFAOYSA-N 446.511 2.715 5 40 IFBB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21450122 YIZZEPUALFSNOG-HNNXBMFYSA-N 428.876 2.950 5 40 IFBB CCOc1cc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)ccc1O 10296361 BSADGKCKVTXYPA-SFHVURJKSA-N 448.399 2.543 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 13601213 KWVFKVANTBSHSG-YQMDMEMYSA-N 446.415 2.946 5 40 IFBB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 14198754 WDAPTLOEEFCIRX-NSHDSACASA-N 432.385 2.873 5 40 IFBB COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 40115992 KYJCTWBQYVEGRF-BXUZGUMPSA-N 425.850 2.753 5 40 IFBB O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 3166958 YTBDEZLOXLVEKH-RTWAWAEBSA-N 434.940 2.905 5 40 IFBB O=C(NCc1ccccc1)[C@H]1CSCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 24668448 DJYRIGOPJVBHKI-LJQANCHMSA-N 437.481 2.612 5 40 IFBB COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc([N+](=O)[O-])cc3)n2)cn1 35425667 HUFYNKLLYRCSHI-KRWDZBQOSA-N 438.444 2.962 5 40 IFBB biogenic,in-vitro CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 139109297 CJOBDRHFBIITQY-UKRRQHHQSA-N 440.460 2.512 5 40 IFBB Cc1c(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 224353337 MVXSKKFFQUKKNN-UHFFFAOYSA-N 447.513 2.887 5 40 IFBB Cc1cccc2c1N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2 531216206 RLKDRHIDTNVCFR-KRWDZBQOSA-N 429.498 2.893 5 40 IFBB Cn1c(=O)c2c(nc(Oc3ccccc3Cl)n2Cc2ccc([N+](=O)[O-])cc2)n(C)c1=O 9191480 AFNNGMGLEOQHGO-UHFFFAOYSA-N 441.831 2.836 5 40 IFBB Cc1[nH]c2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12763494 OUBGGSGTJIIIAO-UHFFFAOYSA-N 428.470 2.531 5 40 IFBB COc1ccc(OC)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220216497 FWGPYXASNUPRNV-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224652143 OGATXHCAVVQWOV-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 861869 CWDWQYGIRAOCLU-LVSKKATPSA-N 449.488 2.707 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 138695120 LGSSOEWGQSXGOW-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB COc1ccccc1CCCNC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220416494 MTBMSPILNRMPIO-HNNXBMFYSA-N 435.502 2.507 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1 40398968 NZWJRIYMKPMKNL-UHFFFAOYSA-N 434.843 2.608 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCc1ccc(Cl)cc1)S(C)(=O)=O 224057519 FUWAWNLTTAKCGA-UHFFFAOYSA-N 425.894 2.682 5 40 IFBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1cccc([N+](=O)[O-])c1C)n2CCC 9544372 BIBBOPKOKBCUBR-UHFFFAOYSA-N 443.460 2.670 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1 20219665 ASDAPNQFYWDYGK-OAQYLSRUSA-N 449.463 2.969 5 40 IFBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cn1 32810145 YYKYXIKXQDXMKA-UHFFFAOYSA-N 428.836 2.592 5 40 IFBB CC[C@@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515837 CWAMKLLTAIPINW-KRWDZBQOSA-N 437.474 2.795 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 3445858 BUCCYDITTZUWAP-LLVKDONJSA-N 434.401 2.813 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253565085 HHCKIJBCQHWYSX-OCCSQVGLSA-N 440.460 2.842 5 40 IFBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 9403890 BNAZCYDPPQVSGV-UHFFFAOYSA-N 434.352 2.912 5 40 IFBB CNc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NCC(F)(F)F)cc1[N+](=O)[O-] 16046368 FVPVGORHYPRZLO-UHFFFAOYSA-N 439.346 2.703 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@H]32)C1=O 9087290 DHODMZNNQNKHKU-YHEJKZAPSA-N 440.500 2.961 5 40 IFBB Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)ccc12 12805115 GUQUHHQKAVYBBU-UHFFFAOYSA-N 446.437 2.823 5 40 IFBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1C(=O)O 20153302 YYCSUCZRZXTRNH-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 20266901 JDZIERLOPXSINW-RMKNXTFCSA-N 426.498 2.953 5 40 IFBB aggregator COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757664 IETCUZAAGKNMHI-UHFFFAOYSA-N 447.238 2.865 5 40 IFBB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224034559 HREOAQNNGPKGNP-QGZVFWFLSA-N 449.529 2.870 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408652745 CUVUVEVSXWTOPT-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB CSCC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 8442860 OOGANFKHBATHCR-INIZCTEOSA-N 431.470 2.628 5 40 IFBB biogenic CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C 9127487 ALFKCLKYMKJLKU-CQSZACIVSA-N 435.458 2.530 5 40 IFBB COc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36329698 CMNCTROEJYOROF-OAHLLOKOSA-N 434.518 2.713 5 40 IFBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCO1 12529802 WMOQNRWGQKLPIH-CQSZACIVSA-N 446.843 2.931 5 40 IFBB O=[N+]([O-])c1cccc([C@H](c2nnnn2-c2ccc(Br)cc2)N2CCOCC2)c1 13898524 GTXPCKNUOKZYON-QGZVFWFLSA-N 445.277 2.755 5 40 IFBB Cc1ccc(Nc2ccc(S(=O)(=O)NCCCN3CCOCC3)cc2[N+](=O)[O-])cc1 15174401 ITTTZVPINKJZBN-UHFFFAOYSA-N 434.518 2.647 5 40 IFBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccc(F)cc1)N1CCCN21 100835130 TTXAYVNAUGHDQE-KURKYZTESA-N 430.823 2.923 5 40 IFBB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225857184 CODKCKWGFGDKIO-HUUCEWRRSA-N 435.502 2.944 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9350771 WAPMDJIAMPNFDS-JSAFQYNZSA-N 446.463 2.643 5 40 IFBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220620778 MIFIPYANPWDQQQ-KRWDZBQOSA-N 437.474 2.795 5 40 IFBB COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 4013148 YMIWWZYIUKWVDW-UHFFFAOYSA-N 428.806 2.622 5 40 IFBB CCOc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@H]32)cc1 10272632 WVUDMFLAZKKSRQ-RBUKOAKNSA-N 431.470 2.601 5 40 IFBB Cn1ccnc1[C@@H](NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 12559898 KWMUPUPBGOYJGL-SFHVURJKSA-N 427.848 2.617 5 40 IFBB CC(=O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17095794 YDDHGYHNZAGWRF-UHFFFAOYSA-N 428.470 2.761 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCCN1CCOCC1 20219658 HFYVNBPLSQNGPN-NRFANRHFSA-N 449.463 2.969 5 40 IFBB CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1116947972 VSMQMHMRPNWOOB-CQSZACIVSA-N 445.906 2.569 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 3246894 UXESCDCHHXQFKH-VMPITWQZSA-N 446.412 2.824 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 9703716 SYMPDEXOMCPZPI-NSHDSACASA-N 434.401 2.813 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 138071620 KXONZDYINQEQJK-IPRDPGLQSA-N 446.463 2.643 5 40 IFBB C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3442742 OMOZPEAMILTTNE-ZDUSSCGKSA-N 437.449 2.924 5 40 IFBB COc1cc(C(=O)Oc2coc(CSc3ncccn3)cc2=O)c([N+](=O)[O-])cc1OC 9829336 BJZYCHKZQGDNSB-UHFFFAOYSA-N 445.409 2.867 5 40 IFBB COc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13563161 KBQZNKGWZLRXRM-RKVPGOIHSA-N 439.346 2.707 5 40 IFBB COc1ccc(-c2noc(CNC(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 22257467 JDWAEBXWSWSBRW-UHFFFAOYSA-N 428.401 2.666 5 40 IFBB Cc1cccc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 223954615 YDKXARHYUWUIFB-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@H](C)C2)cs1 12774513 DMMXDCXYBOBOOD-OKILXGFUSA-N 449.533 2.971 5 40 IFBB Cc1cc(=O)c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 12999753 GIOCJYCICAGEDJ-GOSISDBHSA-N 428.832 2.566 5 40 IFBB Cc1ccc(OCCN2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 19620033 BVAUIJLLJDAXLB-UHFFFAOYSA-N 437.452 2.846 5 40 IFBB COc1ccc([C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 32900202 OHGLCPSMUZAWKW-OAQYLSRUSA-N 428.489 2.595 5 40 IFBB O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16600905 NDCCLRCDXDAREI-HNNXBMFYSA-N 428.876 2.950 5 40 IFBB COc1cccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220416646 DVFNPHLOTBIYFT-HNNXBMFYSA-N 435.502 2.507 5 40 IFBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Br)c2)cc1[N+](=O)[O-] 224769027 LLCTXMFYJDYBHS-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB COCCn1c(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)cc2ccccc21 888089280 SFEYLZMRGHZJPI-WBVHZDCISA-N 436.468 2.617 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-] 100929226 URKMBVGYVBCIRQ-YGWPLHOASA-N 441.509 2.674 5 40 IFBB COCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 8914615 LFKRBQJSPBHLHO-NFBKMPQASA-N 448.479 2.798 5 40 IFBB biogenic CC(=O)c1ccccc1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12912197 VQWPDJMNBQDZSN-LJQANCHMSA-N 431.470 2.979 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253566644 JENKXOHFQZBZKO-OCCSQVGLSA-N 440.460 2.842 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=S)NC(=O)c3ccccc3)CC2)c([N+](=O)[O-])c1 408571306 AANCPAAZHZSKPT-UHFFFAOYSA-N 442.497 2.608 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220380838 YBBZTRAKZQEBJY-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224043804 OKFMYBHRDHFSRS-OAHLLOKOSA-N 445.472 2.544 5 40 IFBB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl 224762693 WYASCDRINRPSHS-UHFFFAOYSA-N 430.822 2.545 5 40 IFBB CCOC(=O)N(C)C(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] 16697244 NQCYDBTZTWAHMD-UHFFFAOYSA-N 436.465 2.880 5 40 IFBB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 22252255 VQMXZPCSJPAGME-UHFFFAOYSA-N 437.474 2.959 5 40 IFBB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)cc1 23056875 WRGWLBHAHGAZRY-UHFFFAOYSA-N 438.484 2.802 5 40 IFBB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533397 XBADBWZGYUKVSW-QGZVFWFLSA-N 449.485 2.873 5 40 IFBB COc1cc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)cc1Cl 408601527 AHQXJAOCCJLQIK-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4974942 NGKKKFKTIZCIEN-OKZBNKHCSA-N 446.368 2.647 5 40 IFBB Nn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@H]1COc2ccccc2O1 8704741 NSMIBMCBMMYKQN-MRXNPFEDSA-N 443.441 2.571 5 40 IFBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c(S(=O)(=O)N2CCOCC2)c1 12765388 HDFDYDFMYQILMM-UHFFFAOYSA-N 447.498 2.552 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccc(-c2ccn[nH]2)cc1 32932646 DMNXWYMAUZFIST-UHFFFAOYSA-N 443.485 2.618 5 40 IFBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccccc1F)S(C)(=O)=O 220594984 OWYZIKQOGGKOGW-HNNXBMFYSA-N 425.438 2.926 5 40 IFBB CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548348 QNZASJGQSAJTCJ-MRXNPFEDSA-N 433.486 2.737 5 40 IFBB Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCCN21 248108318 MJFBFVYLUHLRPZ-LYXWCMDISA-N 446.463 2.643 5 40 IFBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 17097508 NWTSSQHASOTQHQ-UHFFFAOYSA-N 431.499 2.945 5 40 IFBB COc1cc2c(cc1OC)CN([C@@H]1CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C1=O)CC2 22609423 ZUIJEPQFBAFKLW-GOSISDBHSA-N 425.441 2.611 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100982808 KMWBBQOLMNGCIL-WBVHZDCISA-N 442.815 2.546 5 40 IFBB COCCn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cccc21 524730723 ULUPXMLROWYRIN-JKSUJKDBSA-N 436.468 2.617 5 40 IFBB biogenic O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 2318304 BPKGUNHAZRBXAU-UHFFFAOYSA-N 425.466 2.895 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)Cc1cc(OC)c(OC)c(OC)c1 3290578 OQTQFUVXTRDTJQ-GFCCVEGCSA-N 448.428 2.742 5 40 IFBB CCOC(=O)c1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 9892702 XFPLFCBEFHTEIP-UHFFFAOYSA-N 429.429 2.626 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 9974337 DXYFGCUVJFPJPB-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB CC[C@@H](C(=O)NCc1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548607 GQLXSOYGGKNUAT-INIZCTEOSA-N 439.465 2.604 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408656952 HYGGTFXURROTNZ-AWEZNQCLSA-N 437.408 2.515 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)NCc1ccc(Cl)cc1Cl 9963794 GSEIOOHCFRNBFY-UHFFFAOYSA-N 442.255 2.779 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 21441806 HGGLWEQROYZCIO-UHFFFAOYSA-N 432.502 2.528 5 40 IFBB Cc1nn(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C)c1[N+](=O)[O-] 23424125 YZVPEQSDNMZMPL-UHFFFAOYSA-N 429.502 2.525 5 40 IFBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(C(=O)c2ccccc2O)CC1 72308213 RKGLQMQZVZIXGC-ZDUSSCGKSA-N 432.864 2.739 5 40 IFBB Cn1c(=O)c2c(nc3n(CCc4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)cn23)n(C)c1=O 9160601 AZCHMIBSOUJUFB-UHFFFAOYSA-N 444.451 2.504 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 20457205 USBHMUCJYCQLSG-UHFFFAOYSA-N 425.488 2.570 5 40 IFBB CCOC(=O)c1c(C)n[nH]c1-n1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O 40399123 FOQRKWBLNQCLKH-UHFFFAOYSA-N 441.447 2.898 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408667072 IYZCMCKEKGSTFZ-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 24226085 RJZXUSQVYNWUFZ-UHFFFAOYSA-N 435.484 2.948 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408664258 ZDKQAZMXGZSMBF-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 3449041 ZMAFQARWKUWPGJ-OAHLLOKOSA-N 430.910 2.975 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1Cl)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 9127531 ZMAFQARWKUWPGJ-HNNXBMFYSA-N 430.910 2.975 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 103562162 DGYSWVQUMJOIOE-WCIQWLHISA-N 448.410 2.639 5 40 IFBB CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546287 VKQGHCMOYPBRDE-KRWDZBQOSA-N 435.502 2.773 5 40 IFBB CCOC(=O)CSc1nnc(CNC(=O)c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 2724054 NKGHXLQHURRZTD-UHFFFAOYSA-N 441.469 2.761 5 40 IFBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 12774508 DMMXDCXYBOBOOD-ZIAGYGMSSA-N 449.533 2.971 5 40 IFBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1cccc(I)c1 14270401 XHYHRANBGVWQLX-UHFFFAOYSA-N 442.238 2.831 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(C)=O 248379097 LSBXBYVHMIJRLS-SEVLPDGMSA-N 433.420 2.582 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc2c(c1)OCO2 409152713 GDOBAUDAHCMDKG-FRKPEAEDSA-N 427.394 2.999 5 40 IFBB O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@@H](O)Cn3cccn3)CC2)s1 58167883 AVUWLCCBRPZRBV-QGZVFWFLSA-N 427.530 2.699 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccc(F)cc1)S(C)(=O)=O 222371275 PZHLCGAXKNNSLM-UHFFFAOYSA-N 439.465 2.605 5 40 IFBB COc1cccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1 408564158 VGJCEFGWLXLULC-SFHVURJKSA-N 439.346 2.870 5 40 IFBB O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 16600906 NDCCLRCDXDAREI-OAHLLOKOSA-N 428.876 2.950 5 40 IFBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCCC3)C2=O)cc([N+](=O)[O-])c1O 107860940 VKWJKGYWPFRLHP-GDNBJRDFSA-N 435.458 2.748 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 9125006 CCINJNGRORGXLN-LLVKDONJSA-N 434.401 2.813 5 40 IFBB COc1ccc(CCn2c(=N)c(C(=O)NCC(C)C)cc3c(=O)n4ccccc4nc32)cc1 101145908 YITNONNEBUJSRJ-UHFFFAOYSA-N 445.523 2.766 5 40 IFBB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224626597 VDQRFSICWGGMNP-IBGZPJMESA-N 443.500 2.968 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224817633 IMEAUPJLNFGTSC-UHFFFAOYSA-N 444.849 2.634 5 40 IFBB COCCNc1ccc(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] 12545159 AJUWALLAKAJOIS-UHFFFAOYSA-N 441.532 2.514 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4)nn23)c1 15881826 CDXYTBZBARGMRZ-UHFFFAOYSA-N 429.483 2.887 5 40 IFBB O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 3178934 UHBFQKRQNSHARN-SFTDATJTSA-N 429.493 2.923 5 40 IFBB COC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c([N+](=O)[O-])c1 8670426 YCHFDIUKGOFOKF-UHFFFAOYSA-N 447.513 2.818 5 40 IFBB CN(C)C(=O)[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 12927078 XEQPOEWVMKXGMR-IBGZPJMESA-N 427.413 2.656 5 40 IFBB COc1ccc(OC)c(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 12938140 ILBAEXMBCSLJJN-SFHVURJKSA-N 449.485 2.794 5 40 IFBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@H]32)C1=O 9122749 WOFRBXRXDAHTHO-GYISASMLSA-N 426.473 2.619 5 40 IFBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 409133012 YZGPFYQXCJGXCE-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 8763677 WXAQPJPABGAKLU-HUBLWGQQSA-N 431.417 2.925 5 40 IFBB O=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCCc2ccccc21 9355759 WITSMYLAZKVYSZ-UHFFFAOYSA-N 429.498 2.975 5 40 IFBB O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)NCc1ccc(F)cc1 12642576 WKGZOCBUJNDGOH-UHFFFAOYSA-N 449.870 2.535 5 40 IFBB COc1ccc(OC)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 19644521 ZLAUSTNHCWMWHC-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB Cc1cc(=O)c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1Cl 12999755 GIOCJYCICAGEDJ-SFHVURJKSA-N 428.832 2.566 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35830083 WAPMDJIAMPNFDS-ZHNFZGJGSA-N 446.463 2.643 5 40 IFBB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 408662527 JJBDNPHIHHFGCA-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB Cn1c(CCn2ccccc2=O)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 8741498 HMCYGQMBFWJIBJ-UHFFFAOYSA-N 447.451 2.903 5 40 IFBB CCOC(=O)C1=C(COC(=O)c2cccc([N+](=O)[O-])c2C)NC(=O)N[C@@H]1c1ccccc1 11004060 FYLKKWGOMRRHNC-LJQANCHMSA-N 439.424 2.931 5 40 IFBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104665239 ULIHEFYJEIDYPW-VGWMRTNUSA-N 442.472 2.766 5 40 IFBB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 408550477 CTWUMJASKFFBBU-AWEZNQCLSA-N 449.485 2.651 5 40 IFBB Cn1nc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2ccccc2c1=O 9285901 QBGNNMFIMWJCRO-UHFFFAOYSA-N 435.362 2.702 5 40 IFBB CCc1cc(OS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])ccc1Cl 12998289 YBHMYHSAGDOFTE-UHFFFAOYSA-N 448.906 2.829 5 40 IFBB CCOc1ccc(CNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222366476 NQMASGUUDGLVPV-UHFFFAOYSA-N 435.502 2.856 5 40 IFBB CC[C@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520686 FFFVHKJEUUUHIQ-GOSISDBHSA-N 449.485 2.873 5 40 IFBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCCN1C(=O)c2ccccc2C1=O 9119552 LNCFVPPPQYIYNA-UHFFFAOYSA-N 437.330 2.865 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 20802129 IOTGKBWDFPBPKZ-OALUTQOASA-N 438.440 2.706 5 40 IFBB COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21 32640674 OEXDRIWUCQPADP-RDJZCZTQSA-N 433.511 2.878 5 40 IFBB CCc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 138815108 BUQKXKCUOKSVLE-HNNXBMFYSA-N 441.440 2.701 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc2c(c1)OCCO2)S(C)(=O)=O 222672143 JTQXLWHIMHGQRN-UHFFFAOYSA-N 449.485 2.859 5 40 IFBB COC(=O)c1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc([N+](=O)[O-])c1 9088499 WSXDQAFDIHYFAY-UHFFFAOYSA-N 435.439 2.647 5 40 IFBB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)c1C 9716260 TYGHMOXGLUWOFY-UHFFFAOYSA-N 433.417 2.829 5 40 IFBB CCOc1cc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)ccc1O 10296358 BSADGKCKVTXYPA-GOSISDBHSA-N 448.399 2.543 5 40 IFBB O=C(Cn1ncc(=O)c2ccccc21)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32776429 WDDYLZBSDJVVDI-UHFFFAOYSA-N 435.362 2.552 5 40 IFBB CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851770 YZHAQZXTTRKELF-FDGPYGQJSA-N 446.463 2.588 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1 9714653 FQUABALOUAUEFW-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2nnnn2-c2ccccc2)CC1 24811451 DUVDUUSXNSNSDY-UHFFFAOYSA-N 433.394 2.912 5 40 IFBB O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 215690460 KKUWADWZRUYSMO-UHFFFAOYSA-N 429.454 2.744 5 40 IFBB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 2114511 JDLCRQDPSPVMQH-UHFFFAOYSA-N 444.320 2.987 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393926 YXQQCTXCEIWTHJ-CQSZACIVSA-N 449.485 2.873 5 40 IFBB O=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCc2ccccc2C1 12997807 BLMZFDZYJOOMDP-UHFFFAOYSA-N 429.498 2.580 5 40 IFBB C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14252891 YUIDUEGVRZSRQA-QFYYESIMSA-N 433.804 2.908 5 40 IFBB CC(C)OCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21 101084306 CILKGHCFVRACGN-UHFFFAOYSA-N 445.523 2.874 5 40 IFBB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 12557722 RXFZQQHKMYHPOE-UHFFFAOYSA-N 440.481 2.857 5 40 IFBB COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)c1 13004572 AIKKUTFTOONAFQ-UHFFFAOYSA-N 449.529 2.735 5 40 IFBB CCNc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1[N+](=O)[O-] 8687591 LTVADSXYTHRAMX-UHFFFAOYSA-N 426.429 2.947 5 40 IFBB O=C1CN(c2ccc(NC(=O)c3ccc(Nc4ccccc4)c([N+](=O)[O-])c3)cn2)CCN1 31718779 ZYGGDMUCJFOXDX-UHFFFAOYSA-N 432.440 2.922 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 36096785 BYOFVPUEDDYENS-SLEUVZQESA-N 447.416 2.631 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O 222768504 AJFOCNRBVBUKFP-UHFFFAOYSA-N 443.481 2.839 5 40 IFBB COC(=O)c1ccc(NC(=S)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 12499960 CNOVKZCGDRQWBO-UHFFFAOYSA-N 442.497 2.973 5 40 IFBB CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 19638018 QHFMYZSAARNWHX-UHFFFAOYSA-N 443.485 2.517 5 40 IFBB CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 48340935 IFVFKKVVOSREFV-CQSZACIVSA-N 429.502 2.778 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 408676151 AEMCSTPPHOUFTJ-LVNJIZSUSA-N 445.431 2.642 5 40 IFBB O=C1COc2ccc(C(=O)COC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2N1 9403413 QVHNRZRZLRLQJI-UHFFFAOYSA-N 439.424 2.956 5 40 IFBB CCOc1ccccc1CCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10111036 SFXFGPXPYGGTTF-UHFFFAOYSA-N 449.529 2.817 5 40 IFBB Cn1c(Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nnc1C(F)(F)F 13134865 ZZTLKVKOVVXJMK-UHFFFAOYSA-N 437.425 2.678 5 40 IFBB O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21450124 YIZZEPUALFSNOG-OAHLLOKOSA-N 428.876 2.950 5 40 IFBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1 409316570 ZMULVRYODAHGRH-VQHVLOKHSA-N 438.396 2.993 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)n2cccc/c2=N\C(C)C)CC1 11374418 OFGKBRFCLVXKKO-LSDHQDQOSA-N 446.529 2.755 5 40 IFBB O=C(CSc1ncn[nH]1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 18153983 PYUUBDWOHYYIQD-UHFFFAOYSA-N 437.073 2.969 5 40 IFBB CCOc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 21094942 ACPLTGDPBUTDTK-OAHLLOKOSA-N 441.440 2.837 5 40 IFBB CCOC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 13668836 PEZZTMYOVUQHGH-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB Cc1ccc(NC(=O)COC(=O)c2cc(N)ccc2N2CCSCC2)cc1[N+](=O)[O-] 58203204 WRADIXWXIHIIJE-UHFFFAOYSA-N 430.486 2.834 5 40 IFBB CC[C@@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518829 BEPPJHUBJAGMNX-IBGZPJMESA-N 435.502 2.507 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 9288538 VTQUSRNWSGYSPE-AGFSROSKSA-N 446.463 2.643 5 40 IFBB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 12649310 ITGUIJHAQZXZRC-XDOYNYLZSA-N 426.454 2.681 5 40 IFBB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1[N+](=O)[O-] 21265245 AOMQLHTZNABJKK-UHFFFAOYSA-N 432.454 2.655 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 40398970 ODGBOYVYTOBRSS-UHFFFAOYSA-N 434.843 2.608 5 40 IFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102815898 DFFPYYJAFMBLNB-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB COc1ccc(OC)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220381558 CLWCZRHYYOGDOL-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB Cc1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 25388468 VQHKYIFPGANRRX-UHFFFAOYSA-N 429.473 2.718 5 40 IFBB COc1ccc(-n2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)cc1 40398896 WAKDARFLNYXICT-UHFFFAOYSA-N 432.465 2.538 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9645587 JTPCENQEHRSVII-UHFFFAOYSA-N 445.831 2.673 5 40 IFBB COc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c(C)cc1[N+](=O)[O-] 16043600 JBPYGWKNGBOLQU-UHFFFAOYSA-N 440.378 2.838 5 40 IFBB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113876995 WNEPCKALEGISST-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB COC(=O)c1cn(C(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c2ccccc12 222630607 PKROUIQDPVTSID-UHFFFAOYSA-N 445.453 2.751 5 40 IFBB C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C1 13769872 MXNYDHJPNGKCAU-CALCHBBNSA-N 425.537 2.772 5 40 IFBB O=C([C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1)N1CCOCC1 16964208 CJGVEBLLPOXDAG-GOSISDBHSA-N 431.832 2.515 5 40 IFBB Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)Nc3cccc([N+](=O)[O-])c3)cn2)cc1 223384115 MEFXZWWIRLGRDU-UHFFFAOYSA-N 441.469 2.766 5 40 IFBB COc1ccc(NC(=O)CN2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 12644380 GAIMGSAPHNKZCA-UHFFFAOYSA-N 445.451 2.967 5 40 IFBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715627 VZHIUGDNVKBDTK-INIZCTEOSA-N 425.438 2.926 5 40 IFBB O=c1c([N+](=O)[O-])c(NC[C@H](c2ccccc2Cl)N2CCOCC2)nc2ccccn12 40083093 GFTNDACVZDKBRC-MRXNPFEDSA-N 429.864 2.742 5 40 IFBB Cn1ccnc1[C@](O)(CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(F)(F)F 78726139 NHXZDMWUNWVYLB-GOSISDBHSA-N 441.410 2.816 5 40 IFBB O=C1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 100210052 ITWYJFOEJBVCRG-SFHVURJKSA-N 443.891 2.529 5 40 IFBB Cc1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 224861349 ISVAINCSFOQCDZ-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1[N+](=O)[O-] 8921759 PHAILORSLNNKKF-GOSISDBHSA-N 435.230 2.803 5 40 IFBB CCNc1ccc(C(=O)OCC(=O)NCCc2ccc(OC)c(OC)c2)cc1[N+](=O)[O-] 9635555 ORYFRYLDEIOKAO-UHFFFAOYSA-N 431.445 2.560 5 40 IFBB C[C@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9963748 WBSPOHBFCIZPOW-JTQLQIEISA-N 426.834 2.836 5 40 IFBB O=C(c1ccccc1)[C@H]([C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1 31613439 UCZZLGBQZYHCMY-VXKWHMMOSA-N 425.485 2.552 5 40 IFBB Cc1ccc(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1-n1cccc1 10306157 LWHSKXAADXCIOI-UHFFFAOYSA-N 442.497 2.939 5 40 IFBB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 40012109 KTESVOYCMUQREX-GOSISDBHSA-N 444.557 2.986 5 40 IFBB CNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1[N+](=O)[O-] 9282925 WYGLKAVHYSAIBR-SNVBAGLBSA-N 446.485 2.717 5 40 IFBB C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 15722029 KFRUDZOHZFJLLZ-KXBFYZLASA-N 440.456 2.839 5 40 IFBB COc1cc([C@H]2N[C@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])ccc1O 33929652 LWFVMHYOVYRDHE-ZRNYENFQSA-N 447.444 2.817 5 40 IFBB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224100617 VSRCAMDKDNTFOB-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)ccc2C)CC1=O 408664649 CUDDFQWVRGDUGW-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB Cn1ccnc1Sc1ccc([C@H]2NS(=O)(=O)N=C3CCCCCN32)cc1[N+](=O)[O-] 5983672 MJKYQWGTFXBDDM-INIZCTEOSA-N 436.519 2.601 5 40 IFBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 15391749 QRTDIDKOWDXLBU-MRXNPFEDSA-N 445.501 2.941 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220389905 DQBMUVOJENFNNY-ZDUSSCGKSA-N 436.446 2.913 5 40 IFBB COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(OC)c([N+](=O)[O-])cc1C 8707130 BPJNCRIQOTWGJG-UHFFFAOYSA-N 444.473 2.935 5 40 IFBB O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1nc(-c2ccccc2F)no1 21454001 GMQLLKKTMXJDPI-UHFFFAOYSA-N 433.783 2.597 5 40 IFBB O=C(O)CC[C@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 408603958 CIDYKOXSBVINQH-LJQANCHMSA-N 442.428 2.867 5 40 IFBB O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1N1CCOCC1 9589131 RUUATMFKDIKOST-UHFFFAOYSA-N 426.351 2.863 5 40 IFBB Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1C 11012642 POPATVVABAIHDT-UHFFFAOYSA-N 440.909 2.583 5 40 IFBB COc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 18933438 AMTDKFYHUMCCHB-UHFFFAOYSA-N 432.864 2.653 5 40 IFBB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)c2ccccc2O1 19531402 GOLBVEFSVUSMBK-IBGZPJMESA-N 426.473 2.944 5 40 IFBB O=C([C@H]1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 32758983 JTONBHUOCXWYRK-SFHVURJKSA-N 429.498 2.548 5 40 IFBB CC1(C)[C@@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 33929439 KOGKQDDNBIWGRO-ZRNYENFQSA-N 443.412 2.846 5 40 IFBB Cc1ccc(Cn2ccs/c2=N/C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1 101267800 ITGUIJHAQZXZRC-LSDHQDQOSA-N 426.454 2.681 5 40 IFBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 103769244 CNJHWVPMGDJLNI-AEFFLSMTSA-N 426.816 2.880 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cccc(NC(=O)C(F)(F)F)c2)c1 138726286 CRUFRXHMIKFNBN-UHFFFAOYSA-N 441.318 2.900 5 40 IFBB Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cccc1[N+](=O)[O-] 3406745 LHZFKSIDDXKEMC-JTQLQIEISA-N 431.470 2.984 5 40 IFBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NC(=O)Nc1ccccc1F 9157529 RJSPWKSJKITDIE-UHFFFAOYSA-N 430.392 2.839 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 10335990 BZGKCVQTMKTJHQ-UHFFFAOYSA-N 442.837 2.870 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 18099958 NATSYMZBJWSXHG-LWYYNNOASA-N 430.420 2.500 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O)N1CCN(c2ccccc2)CC1 409010283 BQKISIIDKVAZNL-FOWTUZBSSA-N 442.453 2.573 5 40 IFBB O=C(C[C@@H]1C(=O)NC(=O)[C@@]12CCCc1cc3c(nc12)CCCC3)Nc1cccc([N+](=O)[O-])c1 585152509 VMCKUUNAMGANSM-KOSHJBKYSA-N 448.479 2.744 5 40 IFBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 2711844 BEEUKRFEDKSMLJ-UHFFFAOYSA-N 434.499 2.847 5 40 IFBB O=C(NCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cc(Cl)ccc1[N+](=O)[O-] 17095246 FNVQZNYSEGFQAE-UHFFFAOYSA-N 427.200 2.970 5 40 IFBB Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1[N+](=O)[O-] 26232105 IJFDLPMBBFJMRC-MRXNPFEDSA-N 439.921 2.736 5 40 IFBB COc1ccc(C)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 218266929 DGGNBSBGWOAIND-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB Cc1c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 222364110 HRRUJUKRKRHBKJ-UHFFFAOYSA-N 436.446 2.996 5 40 IFBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cccc1[N+](=O)[O-] 9518642 QWGDMDJDXPTEJB-UHFFFAOYSA-N 433.490 2.567 5 40 IFBB C[C@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12815410 OLLPIGWORSPWHC-JTQLQIEISA-N 430.804 2.679 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 16013063 PNZBCPISBINHIY-UAKAABGRSA-N 446.463 2.643 5 40 IFBB Cn1c(CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc2cc([N+](=O)[O-])ccc21 20519509 SUHOAYXXKYHTDR-UHFFFAOYSA-N 449.920 2.641 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccccc1)S(C)(=O)=O 222368673 QKSWQUBTTUWOQC-UHFFFAOYSA-N 435.502 2.509 5 40 IFBB COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 9960790 NRCYBKPNTVJMPZ-LJQANCHMSA-N 432.820 2.663 5 40 IFBB COc1cc(CCNC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c([N+](=O)[O-])cc1OC 11082085 NZESWXQOJVZDCF-UHFFFAOYSA-N 429.408 2.613 5 40 IFBB O=C(c1cccs1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@]1(O)C(F)(F)F 11990802 KOBVYOOJDQINFH-JMSVASOKSA-N 431.417 2.925 5 40 IFBB CCOc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 16692719 AQNFGWQRNXAELT-UHFFFAOYSA-N 427.866 2.906 5 40 IFBB O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@H]31 102546940 SORGFXCWQFLVGU-TYHLISGHSA-N 439.811 2.554 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408668482 LSYQAJYRNOWCRD-HNNXBMFYSA-N 441.440 2.837 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@@H]2CC[C@H]1O2 17097440 RKENISGMPWTCEK-CBBWQLFWSA-N 431.426 2.725 5 40 IFBB C[C@H]1CN(S(=O)(=O)CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 40091249 DSJBVLAVNOLLHT-IYBDPMFKSA-N 447.513 2.677 5 40 IFBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@@H]2CCCCO2)[C@@H]1O 100763121 XOSGGNQJKNBDSY-DMXSBLOFSA-N 425.593 2.638 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 408576966 ZDPBHYGHCWFWEE-UHFFFAOYSA-N 428.401 2.642 5 40 IFBB O=C1COc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)cc2N1 8825503 MXBUROJHUSUTER-UHFFFAOYSA-N 425.397 2.566 5 40 IFBB Cc1cc(C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1 9162350 WMUGPUOWTBTLJK-UHFFFAOYSA-N 434.452 2.957 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(C)cc1 36322323 XRFUZDGZJQPXTQ-DBOLQNLKSA-N 449.463 2.747 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409159309 SMGMIJJZWXAPOK-FRKPEAEDSA-N 427.394 2.999 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1 11132494 WJTDBRMBWVOQQY-UHFFFAOYSA-N 449.485 2.651 5 40 IFBB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35851621 HYDLLJOQCTWYSF-FVJVTNMWSA-N 446.463 2.588 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 253487081 DLBRFBSADBVILO-IVAOSVALSA-N 444.447 2.809 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408671019 RSMCTXFDTXDMCT-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1 408990031 JSCZCZHJASCGHL-SWLSCSKDSA-N 430.471 2.510 5 40 IFBB O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCCOc2ccccc21 611526973 YBPLHIXRCIIKBG-INIZCTEOSA-N 445.497 2.811 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 8750348 VFIMXRXHFQPNHJ-KRWDZBQOSA-N 446.529 2.627 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16046893 SUTNMOQGGRZWFU-GFCCVEGCSA-N 429.458 2.656 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35855563 PNZBCPISBINHIY-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 224949983 ZQEJLEAASINCFD-UHFFFAOYSA-N 432.502 2.990 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 408571455 BQDHFXKIDHMCFC-UHFFFAOYSA-N 428.401 2.642 5 40 IFBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)no1 3310248 WXLROWKSFLGKBE-UHFFFAOYSA-N 447.385 2.853 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 11128145 IYORBXCWSONNDN-UHFFFAOYSA-N 433.486 2.951 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2F)c([N+](=O)[O-])c1 13141004 NYTIBWVWGZOUCE-UHFFFAOYSA-N 443.428 2.921 5 40 IFBB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 20153170 YEINGSQMCUOVAC-UHFFFAOYSA-N 428.470 2.698 5 40 IFBB CCO[P@](=O)(O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N 102436036 ZGSVMGZCNLTICA-UHFFFAOYSA-N 438.424 2.527 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 113480315 MWNHNOOEPBUXAN-KBPBESRZSA-N 444.538 2.832 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)c1 223769800 VEETWGIJBLGTIE-UHFFFAOYSA-N 439.247 2.886 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 3849472 JMULOZBMIZIXMV-LJQANCHMSA-N 447.447 2.981 5 40 IFBB biogenic CC[C@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223233419 DFVZAOCPGCTHHC-QGZVFWFLSA-N 433.436 2.675 5 40 IFBB Cc1ccc(OC[C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 22375040 UVRBRCRHRVQOOC-INIZCTEOSA-N 435.502 2.561 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C)CC2)c([N+](=O)[O-])c1 408571489 COXFVQSKICFYLL-UHFFFAOYSA-N 427.457 2.808 5 40 IFBB COc1cc(C(=O)Nc2ccc3c(c2)N(S(C)(=O)=O)CCC3)c([N+](=O)[O-])cc1OC 9569469 BZZCNNMKRHJHQS-UHFFFAOYSA-N 435.458 2.577 5 40 IFBB COc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CS(=O)(=O)C3)cc1 3009417 DSYUYCJMLXRKPZ-UHFFFAOYSA-N 442.453 2.778 5 40 IFBB NC(=O)c1c(NC(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2 3437963 ACBVKKQIZYYRNB-MDZDMXLPSA-N 429.454 2.829 5 40 IFBB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 39564086 QJAUUCPESXXSBI-UHFFFAOYSA-N 430.804 2.831 5 40 IFBB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)cc1[N+](=O)[O-] 15410029 HDIBXTBLPBWZPF-GASCZTMLSA-N 433.486 2.953 5 40 IFBB COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 58107864 ZXOHNRZTNDRRQG-UHFFFAOYSA-N 427.866 2.657 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 100550306 ATQAGCRJJKFOMI-LATRNWQMSA-N 446.415 2.946 5 40 IFBB COCc1nc(OC)c2c(C)c(C(=O)N[C@@H]3CCc4ncc([N+](=O)[O-])cc4C3)sc2n1 95996809 ZDQJTPPIMPHHFF-GFCCVEGCSA-N 443.485 2.745 5 40 IFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 100942492 QLVUYWXSVLLTJQ-NVXWUHKLSA-N 442.815 2.546 5 40 IFBB Cc1cccc(N2CCN3c4ccc([N+](=O)[O-])cc4C[C@]4(C(=O)N=C(O)N=C4O)[C@H]3C2)c1C 105798648 KBIBAPSUHHWJRS-LJQANCHMSA-N 449.467 2.860 5 40 IFBB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225022783 WARYGVKFAJNFTF-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB Cc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9192896 KTSDEGNZDJCWTR-UHFFFAOYSA-N 430.424 2.559 5 40 IFBB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 139111653 PRLYQHUUWUJINA-UKRRQHHQSA-N 440.460 2.512 5 40 IFBB CCOc1ccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220394295 DCKACBSWHXEXTA-HNNXBMFYSA-N 435.502 2.773 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224784799 NPBKIGDRHOMYDK-UHFFFAOYSA-N 437.430 2.878 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408665557 FVRFIDNTKNMNGV-WBVHZDCISA-N 425.441 2.677 5 40 IFBB COc1ccc(/C=C2\SC(=N)NC2=O)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 408892382 AWSQSMBKFIOWIZ-ZROIWOOFSA-N 435.439 2.510 5 40 IFBB CN(Cc1ccccc1N1CCCCC1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 24391506 NWQURBOSILXWJP-UHFFFAOYSA-N 436.468 2.840 5 40 IFBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-] 224791580 JUPHJOKKLIFSQI-UHFFFAOYSA-N 429.794 2.745 5 40 IFBB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408656704 IVIAWYUCGOOZOG-HNNXBMFYSA-N 441.440 2.837 5 40 IFBB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408664732 JRWRYFQSYFCUAY-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769264 PNECACSGKDMMOY-WMZOPIPTSA-N 426.816 2.880 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O 224057910 JOKUEZGLADAJDL-UHFFFAOYSA-N 441.893 2.518 5 40 IFBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409071481 OWGLOQMGXIXYOF-UEEORIODSA-N 431.220 2.661 5 40 IFBB Cc1c(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cccc1[N+](=O)[O-] 3406748 LHZFKSIDDXKEMC-SNVBAGLBSA-N 431.470 2.984 5 40 IFBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1 3383814 BUINFSCHDHIIBN-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 12854743 HNXUGLLNOILOOS-UHFFFAOYSA-N 429.454 2.939 5 40 IFBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 26780046 STTKLFMSMWAMPX-UHFFFAOYSA-N 440.865 2.913 5 40 IFBB O=c1c2cc3c(=O)n(CCc4ccccc4)ccc3nc2ccn1CCCN1CCOCC1 40398825 GKWUWTPTTJTEEB-UHFFFAOYSA-N 444.535 2.676 5 40 IFBB COc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C(C)C)c2=N)cc1 101144911 UGSBVYYTXMDTHR-UHFFFAOYSA-N 431.496 2.957 5 40 IFBB O=C(COC(=O)c1cccnc1SCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 215690679 QTKCADVFYKPQCO-UHFFFAOYSA-N 429.454 2.744 5 40 IFBB COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220386475 BZEDURKJFVVGLG-CQSZACIVSA-N 449.485 2.791 5 40 IFBB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224626553 VDQRFSICWGGMNP-LJQANCHMSA-N 443.500 2.968 5 40 IFBB COc1ccc(NC(=O)C2=C(C)N=C3N=CNN3[C@@H]2c2cccc([N+](=O)[O-])c2)c(OC)c1 408557574 OUAXGVYXSUBIPR-LJQANCHMSA-N 436.428 2.784 5 40 IFBB COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408567799 RJAJBISPEUTTND-OEPMTFCVSA-N 432.274 2.980 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408657984 KKWVBBNQEWAKME-RTBURBONSA-N 449.419 2.846 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSC1CCCCC1)S(C)(=O)=O 10368181 VLISFRLOCOGHHH-UHFFFAOYSA-N 429.564 2.851 5 40 IFBB C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10647037 WXMVSHSPKNUEKW-CQSZACIVSA-N 447.469 2.563 5 40 IFBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 9129316 XFIZJMOTZMESPU-OENGIGCFSA-N 427.482 2.753 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35843249 XXWJWFMHFBTDCO-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2O)C1=O)N1CCc2ccccc2C1 108257113 BBVYMDRJYBIMJZ-YVLHZVERSA-N 439.449 2.922 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 408672366 WCOWYNYMYKZKAC-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1C(=O)O 9064706 JZDPXPDSMOSTJI-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 11227654 MSBFCXYJGBSEQS-UHFFFAOYSA-N 435.366 2.906 5 40 IFBB COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC 20410934 XYHMGMNNRDFWJC-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1nncs1 58159431 ULOKNAVMPOECIJ-UHFFFAOYSA-N 447.505 2.887 5 40 IFBB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224791161 LPPDGENXUUKXTE-UHFFFAOYSA-N 438.458 2.922 5 40 IFBB CC(=O)c1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408670555 RETPSCRUTLAEON-MRXNPFEDSA-N 439.424 2.641 5 40 IFBB Nn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1[C@@H]1COc2ccccc2O1 8704742 NSMIBMCBMMYKQN-INIZCTEOSA-N 443.441 2.571 5 40 IFBB COc1cc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CS3)c(C)cc1[N+](=O)[O-] 9493580 HNKJOUFPDPCRSS-UHFFFAOYSA-N 431.426 2.752 5 40 IFBB Cc1ccc(-n2ncc3c(=O)n(NC(=O)/C=C/c4ccc([N+](=O)[O-])cc4)cnc32)cc1C 10252179 QVAUVTKHGXXVGS-UXBLZVDNSA-N 430.424 2.891 5 40 IFBB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)cc1[N+](=O)[O-] 15410025 HDIBXTBLPBWZPF-HUUCEWRRSA-N 433.486 2.953 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(NCCc3c[nH]c4ccccc34)c([N+](=O)[O-])c2)CC1 36329693 VJNORUGFOURJDR-UHFFFAOYSA-N 443.529 2.667 5 40 IFBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NCc1ccccc1 9096834 HADKLYHCVGRRBQ-UHFFFAOYSA-N 437.547 2.617 5 40 IFBB C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12569133 QVUDEOCNARAONH-QGZVFWFLSA-N 446.529 2.632 5 40 IFBB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 89878703 QZNBWAFPDHLYDX-UHFFFAOYSA-N 425.466 2.895 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-] 100929225 URKMBVGYVBCIRQ-HUYLIWGRSA-N 441.509 2.674 5 40 IFBB CCOC(=O)COc1c(Cl)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OC 409347496 PZNHBSSTYTUCEG-SNAWJCMRSA-N 425.781 2.570 5 40 IFBB CCCCc1ccc(-n2nnnc2Sc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])cc1 12581919 GWWXPCRZGNULSQ-UHFFFAOYSA-N 434.503 2.712 5 40 IFBB Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1C 12795538 CIYVMBAKJNLETI-UHFFFAOYSA-N 442.472 2.882 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 409051806 NDQRXZKMJGCVLN-UHFFFAOYSA-N 436.512 2.791 5 40 IFBB CCN(CC)[C@@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C 12561770 RYDDYAFJDPKCTO-QGZVFWFLSA-N 442.582 2.784 5 40 IFBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 15882778 JGEJISNUZZXOSG-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB C[C@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 21421070 GKSWRSRVRPXVPP-SNVBAGLBSA-N 432.351 2.712 5 40 IFBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 32932544 UGAGLAKWEYVSNI-NRFANRHFSA-N 437.500 2.833 5 40 IFBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 14019341 MBBGQXBAXRROEG-GFCCVEGCSA-N 437.499 2.915 5 40 IFBB Cc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] 71980636 YCPAQARGPCXWQT-FQEVSTJZSA-N 439.468 2.821 5 40 IFBB CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 72289318 VQDYAAZMVMGBLN-INIZCTEOSA-N 429.456 2.777 5 40 IFBB Cc1ccccc1OCCNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224854238 QCNBNEOZJAKSCC-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(C)c(C)c2)CC1=O 408654798 QVCIFRBAVFYXEM-INIZCTEOSA-N 426.425 2.999 5 40 IFBB C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 15916567 KHWMQJDRIYENQM-HUUCEWRRSA-N 433.486 2.574 5 40 IFBB Cn1c(=O)nc2n(-c3cccc(Br)c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497847 VGEICMWRHCBJDC-UHFFFAOYSA-N 427.214 2.860 5 40 IFBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900437 LJCOILVNSGVVFO-UHFFFAOYSA-N 435.458 2.620 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)cc1 253487633 NATSYMZBJWSXHG-FUMNGEBKSA-N 430.420 2.500 5 40 IFBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 14269086 QTOQURUAIYKDDB-UHFFFAOYSA-N 449.876 2.993 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 40400486 HLMPNDDBVHXHEF-OAHLLOKOSA-N 434.412 2.795 5 40 IFBB C[C@@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C 409131202 KEGCJIZGLMKDTF-CYBMUJFWSA-N 440.485 2.945 5 40 IFBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F 12556431 ZVKAMZVFRQCFQP-ZDUSSCGKSA-N 440.472 2.982 5 40 IFBB CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 24528227 VYNOJLBEPCEPNO-GJZGRUSLSA-N 428.555 2.581 5 40 IFBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399227 GUCKOSCRJKMBHL-CQSZACIVSA-N 434.412 2.795 5 40 IFBB CCOc1ccccc1CNC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528538 UDUFZVYKFZLDKK-SFHVURJKSA-N 435.502 2.855 5 40 IFBB COc1cc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC 9426475 YOIIIIWJMRDQDV-CYBMUJFWSA-N 429.429 2.773 5 40 IFBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccccn1 20452003 PSHPWJRSMUMOBC-UHFFFAOYSA-N 426.454 2.502 5 40 IFBB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 139109399 CJOBDRHFBIITQY-DZGCQCFKSA-N 440.460 2.512 5 40 IFBB O=[N+]([O-])c1ccc(-n2cnc(-c3ccc(F)cc3)c2)c(S(=O)(=O)N2CCOCC2)c1 12601779 XVDJKWKNGOOZQZ-UHFFFAOYSA-N 432.433 2.608 5 40 IFBB O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(C[C@H](O)Cn3cccn3)CC2)s1 58167882 AVUWLCCBRPZRBV-KRWDZBQOSA-N 427.530 2.699 5 40 IFBB CC[C@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223957110 NUDVBDAGGAYJOJ-LJQANCHMSA-N 449.529 2.951 5 40 IFBB C[C@@H]1CN(S(=O)(=O)CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@@H](C)O1 40091251 DSJBVLAVNOLLHT-HZPDHXFCSA-N 447.513 2.677 5 40 IFBB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224034617 HREOAQNNGPKGNP-KRWDZBQOSA-N 449.529 2.870 5 40 IFBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641849 DDLJAYCEVWOQMD-HIFRSBDPSA-N 442.424 2.780 5 40 IFBB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 409178299 LYQYLBIIOZRYFY-UHFFFAOYSA-N 428.397 2.973 5 40 IFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 409228812 FNMIIRFCOYIIMH-CXUHLZMHSA-N 429.410 2.984 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 9974338 DXYFGCUVJFPJPB-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCc1ccc([N+](=O)[O-])cc1 24257903 LLQAMIRCZFBMBY-UHFFFAOYSA-N 432.429 2.532 5 40 IFBB CCOCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(C)cc2)c1=N 100631390 QCRMNFRXWONBOL-UHFFFAOYSA-N 445.523 2.642 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN21 248342358 XXWJWFMHFBTDCO-XMODTWTHSA-N 446.463 2.643 5 40 IFBB O=C(/C=C/c1ccccc1)NCC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 15034063 LMMMHRZDEUGPBA-RMKNXTFCSA-N 436.390 2.971 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 16009802 HYDLLJOQCTWYSF-UAKAABGRSA-N 446.463 2.588 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851635 YUSCMPHGYDSGAM-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB Cc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)c1 40149820 SYSXOQJARRWDGJ-UHFFFAOYSA-N 432.502 2.954 5 40 IFBB COc1ccc(Cn2c(=N)c(C(=O)NC3CCCC3)cc3c(=O)n4ccccc4nc32)cc1 101246559 IGKMKLGKLIGPRR-UHFFFAOYSA-N 443.507 2.858 5 40 IFBB CSc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] 12987552 VRYIGDPBQRQJEC-SFHVURJKSA-N 443.481 2.583 5 40 IFBB O=C(CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-] 15546035 YVUGOBSHUKRPHW-HXUWFJFHSA-N 442.447 2.953 5 40 IFBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 23055401 JWGUKJWRLAMUKG-GFCCVEGCSA-N 439.515 2.973 5 40 IFBB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 24772236 IKJCSEGDRWRUJO-UHFFFAOYSA-N 442.472 2.541 5 40 IFBB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1[N+](=O)[O-] 139115875 IYRIBJQGEJMMKT-QWHCGFSZSA-N 440.460 2.512 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccccc2Cl)CC1=O 408667074 IYZCMCKEKGSTFZ-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB Cn1c(=O)c2cc(-c3nc4ccccc4[nH]3)c(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O 8778799 ARYFQYWKBMRAAI-UHFFFAOYSA-N 428.408 2.751 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 14022864 RAZIHHUVHJJIKY-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB Cc1cc(C)c(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 14941391 SSERJUMNSVPJDN-UHFFFAOYSA-N 426.473 2.725 5 40 IFBB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153174 VTOZGWNKPTVLBO-UHFFFAOYSA-N 430.442 2.726 5 40 IFBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20154304 IONZZIKLODVJOX-UHFFFAOYSA-N 440.460 2.765 5 40 IFBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N[C@@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c2)C1 58151859 AZWLSAMKUVDWFF-ZNMIVQPWSA-N 440.566 2.977 5 40 IFBB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1[N+](=O)[O-] 1866416 PWRVZYWHDHEAQV-UHFFFAOYSA-N 447.498 2.563 5 40 IFBB CN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)[C@@H]1CCS(=O)(=O)C1 5981474 JVYNWKMNHNVMNL-CQSZACIVSA-N 440.550 2.773 5 40 IFBB COc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1OC 9891905 RTICUKGUBFUSGT-UHFFFAOYSA-N 441.893 2.776 5 40 IFBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1I 14270403 GUOSYTQTOUIVOE-UHFFFAOYSA-N 442.238 2.831 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc2ccccc2o1 31937106 GCCAIXNNOBUYHR-QLYXXIJNSA-N 442.431 2.850 5 40 IFBB COc1ccc(NC(=O)COC(=O)c2cn(C)c3ccc(Cl)cc3c2=O)c([N+](=O)[O-])c1 48324314 CIXGDMWNFUTRIH-UHFFFAOYSA-N 445.815 2.904 5 40 IFBB CCCSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)s1 223331314 UGIBWJJGMCYKHA-UHFFFAOYSA-N 445.548 2.662 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C 245228176 IYXQKNVLLSQGHI-TYNCELHUSA-N 425.869 2.605 5 40 IFBB CCCCNC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409318793 ZOWUSJNWNMNFNQ-UHFFFAOYSA-N 448.501 2.529 5 40 IFBB Cn1c(=O)nc2n(-c3ccc(I)cc3)c3ccccc3cc-2c1=O 707995 UNQFRDFTKWZBLV-UHFFFAOYSA-N 429.217 2.794 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 2357458 XFYNXBLVOZKKLH-QGZVFWFLSA-N 437.408 2.574 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)c1 9569559 FWUMKDLLPOVABY-UHFFFAOYSA-N 435.512 2.949 5 40 IFBB CCCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc21 100754570 WKQNUZLDBBEYBO-UHFFFAOYSA-N 445.479 2.587 5 40 IFBB biogenic CCc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 102888326 HYDLLJOQCTWYSF-PLOUGOBLSA-N 446.463 2.588 5 40 IFBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1[N+](=O)[O-] 107969564 QKOLQDGRDAHPEX-SOFGYWHQSA-N 440.368 2.638 5 40 IFBB CC[C@@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533626 AIZBIHHFCZVECK-KRWDZBQOSA-N 449.485 2.873 5 40 IFBB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 3503439 PUZJAVLQOMTISV-UHFFFAOYSA-N 426.834 2.756 5 40 IFBB Cc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 34799052 MJFBFVYLUHLRPZ-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964145 ORZOWFAWAILIPQ-UHFFFAOYSA-N 444.849 2.634 5 40 IFBB Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)c([N+](=O)[O-])n1 9119610 JSDBUVCPNDKBBV-UHFFFAOYSA-N 448.501 2.880 5 40 IFBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17096828 GDRCTDHNSMQIPM-UHFFFAOYSA-N 430.446 2.735 5 40 IFBB C[C@@H]1C[C@@H](C)CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 20440224 BJMIJVCIZPEMOH-IAGOWNOFSA-N 425.537 2.772 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NCCc2nnc3n2CCCCC3)c([N+](=O)[O-])c1 32871572 MYCFTABMMCCGOK-UHFFFAOYSA-N 436.538 2.598 5 40 IFBB O=C(/C=C/SCc1ccco1)OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 79110350 IPPLYRBIUQDMNB-NTUHNPAUSA-N 431.470 2.827 5 40 IFBB CC(=O)N(C)[C@H](c1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccc(Br)cc1 9762206 CUBNSCXNYLQYKX-MRXNPFEDSA-N 431.250 2.901 5 40 IFBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103064861 GYYPUIVELSQNGM-KONPQCLYSA-N 431.489 2.529 5 40 IFBB CCCSc1nnc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225731886 FCIIIDVGAXLNKC-JTQLQIEISA-N 445.548 2.742 5 40 IFBB COc1cc(NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c(C)cc1[N+](=O)[O-] 9403653 QDQQSMYIYLRKDD-UHFFFAOYSA-N 440.412 2.577 5 40 IFBB CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 14863345 JREAZYXVPLCHMU-UHFFFAOYSA-N 426.473 2.841 5 40 IFBB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[nH]c(=O)c32)cc1[N+](=O)[O-] 40399228 GUCKOSCRJKMBHL-AWEZNQCLSA-N 434.412 2.795 5 40 IFBB O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9355763 ULJMNAGTDBYUEL-UHFFFAOYSA-N 431.514 2.745 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(OC)c1OC 16091206 MNKQJYPFZZCIRP-NSHDSACASA-N 434.401 2.813 5 40 IFBB CC1(C)C[C@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 22347971 GIZMVXXYIYCDLG-KRWDZBQOSA-N 433.486 2.779 5 40 IFBB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 40089981 KZYRMONZGYHJMT-OAHLLOKOSA-N 432.502 2.740 5 40 IFBB C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C1 61931411 MXNYDHJPNGKCAU-IAGOWNOFSA-N 425.537 2.772 5 40 IFBB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113877553 FMPQLTLJLWTGOV-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 138549951 OAPWBEVNPXSYPL-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB Cn1c(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])nc2ccccc21 9493890 PQBJKEVGZZQOIY-UHFFFAOYSA-N 434.499 2.654 5 40 IFBB Cc1cc(C(=O)NCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1[N+](=O)[O-] 15027055 AWBCUVDNRHKDEG-NRFANRHFSA-N 427.457 2.918 5 40 IFBB CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17096908 LUNBWGSHRZCBHU-UHFFFAOYSA-N 430.486 2.826 5 40 IFBB O=[N+]([O-])c1cccc([C@@H](c2nnnn2-c2ccc(Br)cc2)N2CCOCC2)c1 20146458 GTXPCKNUOKZYON-KRWDZBQOSA-N 445.277 2.755 5 40 IFBB CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(s/c(=C\c3ccccc3[N+](=O)[O-])c2=O)=N1 409041719 JIDCFKFISKPEAI-MTGKDYNDSA-N 449.488 2.707 5 40 IFBB O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 3309139 PNTZASKKFOTXIG-UHFFFAOYSA-N 432.454 2.809 5 40 IFBB COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 32916267 IUXQZQXJEMYDGA-QGZVFWFLSA-N 429.864 2.932 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1 218306126 WTTJLWAPAKVWJX-UHFFFAOYSA-N 428.810 2.561 5 40 IFBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC 3411219 QJLSYMSMDSZSSK-NSHDSACASA-N 431.401 2.754 5 40 IFBB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225406117 XXBPJOUETMGTOU-CYBMUJFWSA-N 435.864 2.799 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)cc1 10127295 DZGGEKGCXCXKDB-NSHDSACASA-N 442.291 2.971 5 40 IFBB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 15882779 BECMHPJRGQSALM-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB Cc1cc2ncn(CN3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)c2cc1C 23424113 KKWGFFBQKLFEJF-UHFFFAOYSA-N 443.529 2.834 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)Nc1ccc2c(c1)CCC2 33478959 HXAFANZJFBIYCW-UHFFFAOYSA-N 425.441 2.716 5 40 IFBB Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409342291 BGLGQKSATARVOD-UHFFFAOYSA-N 440.485 2.944 5 40 IFBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@H](C(C)(C)C)C3 2778093 MKQRDMBRWCDNMY-NSHDSACASA-N 444.517 2.943 5 40 IFBB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 9056887 IBGDQACBUABIRP-DHDCSXOGSA-N 435.439 2.510 5 40 IFBB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc2N1 9242586 PAYYTZDDSKYOJI-ZDUSSCGKSA-N 448.848 2.572 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)CC 103629302 BPBSJRCOFDYYIZ-ROMGYVFFSA-N 430.464 2.712 5 40 IFBB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222529031 ILDWLEXEGAMCEQ-CYBMUJFWSA-N 435.864 2.799 5 40 IFBB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222537075 NQKBEMNQSBLXMW-INIZCTEOSA-N 449.485 2.858 5 40 IFBB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224760168 IYSAWTPCQYNUJY-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 408665467 FKWLMJFYSMUUJL-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB Cc1ccc(OS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 24764521 IPQCOFLQPIMKRF-UHFFFAOYSA-N 440.499 2.846 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C 408611842 WZIXLKOUECCILB-LLVKDONJSA-N 427.866 2.871 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408639933 HNTVVINOPCWMOI-AWEZNQCLSA-N 427.413 2.772 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O 222370682 OJYIUPSBQMAMRA-UHFFFAOYSA-N 449.485 2.991 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)c1 408657776 PJGWNLZMJHCEOH-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2148823 LFKRBQJSPBHLHO-NZQKXSOJSA-N 448.479 2.798 5 40 IFBB biogenic COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 9225927 PDWKLIMBABOHKC-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB COc1cc(CCNC(=O)C2CCN(C(=O)c3cccs3)CC2)c([N+](=O)[O-])cc1OC 11081721 ALDGHXWWEJLXQZ-UHFFFAOYSA-N 447.513 2.885 5 40 IFBB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32999822 HMMFNYZLOYOQTH-OALUTQOASA-N 439.493 2.847 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35844136 DFFPYYJAFMBLNB-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 408664293 PVDQXSMITWXYDZ-UHFFFAOYSA-N 430.373 2.712 5 40 IFBB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1 408990166 JSCZCZHJASCGHL-WFASDCNBSA-N 430.471 2.510 5 40 IFBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])NC(=O)Nc1ccc2c(c1)OCCO2 3386521 YDNHCECBKVYWMA-UHFFFAOYSA-N 435.776 2.525 5 40 IFBB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 10317717 UQFZTBHLATWERR-UHFFFAOYSA-N 426.834 2.594 5 40 IFBB O=C(COc1ccc(OCCN2CCOCC2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 40149487 OVWRIMSHFRYLQQ-UHFFFAOYSA-N 435.864 2.977 5 40 IFBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408657919 QAJNEERJULGIBL-HNNXBMFYSA-N 441.440 2.701 5 40 IFBB CCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100846637 XJGKWBIHEITKLE-UHFFFAOYSA-N 428.901 2.943 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 9329957 NATSYMZBJWSXHG-NMLBUPMWSA-N 430.420 2.500 5 40 IFBB COc1ccc(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)c([N+](=O)[O-])c1 12640692 AMANAXNWPGZQNA-UHFFFAOYSA-N 428.424 2.763 5 40 IFBB Cc1ccccc1CS(=O)(=O)c1nnc(NC(=O)COc2ccccc2[N+](=O)[O-])s1 13625422 GKUXDDZILNQYIU-UHFFFAOYSA-N 448.482 2.746 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc(C)cc1C)S(C)(=O)=O 22367487 AQEIDZISIFSLMV-OAHLLOKOSA-N 435.502 2.864 5 40 IFBB COc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 40115989 KYJCTWBQYVEGRF-FZMZJTMJSA-N 425.850 2.753 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 103159714 WXAQPJPABGAKLU-YWPYICTPSA-N 431.417 2.925 5 40 IFBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1C[C@@H]1CCCO1 8780247 HVYWBADEPLAXMK-KRWDZBQOSA-N 445.472 2.636 5 40 IFBB O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1[N+](=O)[O-] 9544394 KYXODJINHLAKMX-UHFFFAOYSA-N 432.360 2.650 5 40 IFBB CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 10733887 MIHDVZRVXCFYEP-HNNXBMFYSA-N 447.488 2.542 5 40 IFBB COc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 10767225 CALGICRRNVJGSD-UHFFFAOYSA-N 439.515 2.770 5 40 IFBB CCn1c(N2CCN(CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])CC2)nc2ccccc21 12639950 PCLBWLRZGMWJOI-UHFFFAOYSA-N 438.488 2.734 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 20508237 MYXRIWIEDFZKQS-UHFFFAOYSA-N 440.319 2.864 5 40 IFBB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422851 YALUAKKRCDMBFY-JKSUJKDBSA-N 435.502 2.641 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCSC(C)(C)C)S(C)(=O)=O 222370411 NHGBFKGNQGUJDR-UHFFFAOYSA-N 447.579 2.798 5 40 IFBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc([N+](=O)[O-])c1O 409199210 BUBPEJOEQGFCSZ-PDICVPPASA-N 435.458 2.746 5 40 IFBB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSCc1ccc([N+](=O)[O-])cc1 218048251 VLELGSRPIVXMIK-UHFFFAOYSA-N 435.527 2.668 5 40 IFBB CC1(C)Cc2c(c(N3CCOCC3)nc3sc4c(ncn5c(S)nnc45)c23)CO1 18118459 OWTFWFSUSMVYFL-UHFFFAOYSA-N 428.543 2.864 5 40 IFBB CC[C@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223410619 KAMTWKRNPREVMG-GOSISDBHSA-N 445.472 2.544 5 40 IFBB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 225857201 CODKCKWGFGDKIO-LSDHHAIUSA-N 435.502 2.944 5 40 IFBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408643533 AKYXLXVHHHKCIG-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB O=C(CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc([N+](=O)[O-])c1 1336441 VDBOLQNNJPEMLU-UHFFFAOYSA-N 425.441 2.899 5 40 IFBB C[C@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3552754 BJNABYUCRBAODJ-JTQLQIEISA-N 428.369 2.775 5 40 IFBB COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2nc1NCc1ccccc1 13519021 WUZQRFYHFRRULB-UHFFFAOYSA-N 431.496 2.930 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1[N+](=O)[O-] 408671219 TUTAZZUVPMXDCQ-CQSZACIVSA-N 437.408 2.515 5 40 IFBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2N)cc1 9544633 LWAZDLKWOPTNDW-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB COc1cc([C@@H]2[C@H]3SC(N)=NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 16196029 AJGNHEZSJSKDCB-HUUCEWRRSA-N 430.402 2.522 5 40 IFBB O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1 95377624 JITJUPLNUIUPCJ-UHFFFAOYSA-N 430.892 2.713 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]4[C@@H]3C2=O)cc1 253487635 NATSYMZBJWSXHG-MUGJNUQGSA-N 430.420 2.500 5 40 IFBB COc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 40143693 MXSYWDIZOJGYQA-KGLIPLIRSA-N 425.850 2.753 5 40 IFBB Cc1ccc(NC(=O)NC[C@H]2CCCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C2)cc1 58224314 UXNVXUHSAMYYOX-MRXNPFEDSA-N 436.472 2.949 5 40 IFBB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@@H]2CCCCO2)[C@@H]1O 100763118 XOSGGNQJKNBDSY-NFRARBEASA-N 425.593 2.638 5 40 IFBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCO3)cc1 8739071 PGFSQBXYKFQZHM-JKSUJKDBSA-N 447.494 2.599 5 40 IFBB O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1CCc1ccccc1 8994287 PPESFDLYJBTIRA-YKSBVNFPSA-N 448.479 2.817 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccccc2O)CC1 9662970 VKDORUQGPRTRAS-UHFFFAOYSA-N 446.529 2.802 5 40 IFBB Cc1ccc(-c2nn(CN3CCN(c4c([N+](=O)[O-])ncn4C)CC3)c(=S)o2)cc1C 32815186 RRMKSZBPDNXGLU-UHFFFAOYSA-N 429.506 2.911 5 40 IFBB Cc1cc(Br)cc([N+](=O)[O-])c1OCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 79058133 KEJQHBRSMXWQSG-UHFFFAOYSA-N 448.229 2.909 5 40 IFBB O=C(CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Br 100256079 URMHWEAMLINOSQ-STQMWFEESA-N 447.289 2.577 5 40 IFBB CCN(CC)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n(C)c(=O)n2C 408529911 KLYJJGBQTXQVSL-UHFFFAOYSA-N 442.432 2.792 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2N=CC=C[C@H]32)cc1 9329958 NATSYMZBJWSXHG-WTGUMLROSA-N 430.420 2.500 5 40 IFBB O=[N+]([O-])c1ccc(N2CCc3[nH]c4ccccc4c3C2)c(S(=O)(=O)N2CCOCC2)c1 12642713 NWZGTYJCRQZZNQ-UHFFFAOYSA-N 442.497 2.660 5 40 IFBB C[C@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 13141007 VAWJKIUPPUYFSI-HNNXBMFYSA-N 433.486 2.636 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 16692994 IXNMQRVDJVTALB-UHFFFAOYSA-N 434.499 2.769 5 40 IFBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22906763 GIUXCELRYASYJM-QFIPXVFZSA-N 445.479 2.844 5 40 IFBB COc1ccc(Br)cc1[C@@H]1CN(C)[C@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408565381 KBPSZQIMFCZIPS-IRWQIABSSA-N 432.274 2.980 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cccc(Cl)c1 2494527 QULBGJKRMITWLE-PLRJNAJWSA-N 436.855 2.757 5 40 IFBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@@H]2CCCCO2)[C@@H]1O 100763125 XOSGGNQJKNBDSY-HJJIVNSRSA-N 425.593 2.638 5 40 IFBB O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@@H]31 102546926 SORGFXCWQFLVGU-XNPNQNQESA-N 439.811 2.554 5 40 IFBB COc1cc(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)c([N+](=O)[O-])cc1OC 3498266 LXRIFDOTCJLZCP-UHFFFAOYSA-N 440.416 2.788 5 40 IFBB COCCCn1c(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 12552648 LIHNPTISSLIJKW-UHFFFAOYSA-N 435.440 2.546 5 40 IFBB O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O)Nc1ccc([N+](=O)[O-])cc1 16754399 BFLGYFXZXRQCBO-GDNBJRDFSA-N 426.410 2.751 5 40 IFBB O=C(c1cccnc1-n1cncn1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25343854 MOTHNPXXTQUUGG-UHFFFAOYSA-N 447.377 2.552 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223827290 SQMHRNKKDYZKFI-CQSZACIVSA-N 433.436 2.675 5 40 IFBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641850 DDLJAYCEVWOQMD-UKRRQHHQSA-N 442.424 2.780 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408668930 VWVFWEGIVQTNOU-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 9095324 YUAOVSZYDVDXSA-UHFFFAOYSA-N 428.401 2.943 5 40 IFBB CC(C)CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=S)N(C)C2=O)[C@H]1C(C)C 8744552 NHJPWUDORCPIKX-QGZVFWFLSA-N 432.546 2.840 5 40 IFBB CCn1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(=O)c2ccc(C)nc21 9255535 HZRHCFKIDSOMMS-UHFFFAOYSA-N 425.397 2.857 5 40 IFBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 9526032 FFXTUKJGLZQPPR-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB O=C(NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 61878104 GYUAVESTNBIEFA-ZDUSSCGKSA-N 439.877 2.958 5 40 IFBB COC(=O)CN(c1cccc(Br)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113877745 POENLQUGUYDXHT-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 9615139 VAQZQWBZTRBHNA-UHFFFAOYSA-N 447.502 2.575 5 40 IFBB O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCOCC1 9631545 IZPGNWVARLVFFM-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@@H]1[N+](=O)[O-] 221835672 URKMBVGYVBCIRQ-XWPNQZOQSA-N 441.509 2.674 5 40 IFBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 9907988 HHHCJAJBGDUGOV-UHFFFAOYSA-N 442.472 2.541 5 40 IFBB C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccccc1F 12851951 NKFDKLFEYXZSFU-LBPRGKRZSA-N 431.376 2.992 5 40 IFBB CCN(CC)C(=O)CN(C)C(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 32719165 LKTJCDILYAXJFC-UHFFFAOYSA-N 440.500 2.832 5 40 IFBB O=C(COc1cccc(N2CCCC2=O)c1)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 32848155 VUCUAACHRWRVMI-UHFFFAOYSA-N 427.413 2.900 5 40 IFBB CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N1CCCC1 12522918 YKLCAGVBTQVTJO-SFHVURJKSA-N 440.566 2.538 5 40 IFBB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 40390509 PRLYQHUUWUJINA-HIFRSBDPSA-N 440.460 2.512 5 40 IFBB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])(C3)C2 13102211 WPHCQBXBRFXILM-CLKFMRDTSA-N 429.473 2.940 5 40 IFBB O=C(NCc1cccnc1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20108212 NBCBQBXOKRXWRI-UHFFFAOYSA-N 426.454 2.862 5 40 IFBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)c([N+](=O)[O-])c2)C1 32717247 CXGCNNOHDDMFPY-HOTGVXAUSA-N 438.550 2.686 5 40 IFBB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545667 HEFCPUJIFSFHLS-HNNXBMFYSA-N 437.474 2.795 5 40 IFBB Cc1csc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)n1 9518650 ZBYZHOXVRFOCFK-UHFFFAOYSA-N 448.486 2.712 5 40 IFBB CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(C(=O)OC)c2)cc1[N+](=O)[O-] 9907755 HAWLZONHWDURHH-UHFFFAOYSA-N 429.429 2.869 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 20802365 MKKSNLBGWHOXHE-MOPGFXCFSA-N 438.440 2.706 5 40 IFBB O=[N+]([O-])c1ccccc1SN[C@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl 28294164 CPXFGIHUEKPASZ-VIFPVBQESA-N 442.741 2.598 5 40 IFBB CCOc1cccc(CNC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222528332 YHYNLXWZUFBFLU-LJQANCHMSA-N 435.502 2.855 5 40 IFBB COc1ccccc1-n1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O 40398894 MCZYRQDIFXXGEY-UHFFFAOYSA-N 432.465 2.538 5 40 IFBB O=C(CN1C(=O)N/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1F 409215782 FFCWXTRAUMDVOR-AWNIVKPZSA-N 434.767 2.624 5 40 IFBB CCOC(=O)c1c(N)n(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc12 2303742 XCIGYDCBWXBPBJ-UHFFFAOYSA-N 448.439 2.682 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 4162312 IDCQCRGROZFUCR-LPTDTENNSA-N 446.415 2.946 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 15952823 FMPSNIMYLNQIRZ-QGZVFWFLSA-N 435.528 2.679 5 40 IFBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 19930237 AYBPTZIKGGPYQW-UHFFFAOYSA-N 427.866 2.906 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223233361 DFVZAOCPGCTHHC-KRWDZBQOSA-N 433.436 2.675 5 40 IFBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc(C(=O)N(C)C)c1C 2101797 BGHWKBCZFQSNEZ-UHFFFAOYSA-N 436.402 2.614 5 40 IFBB COc1cccc(NC(=O)NC2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1 12644366 SYKXUNIEZREANR-UHFFFAOYSA-N 427.461 2.828 5 40 IFBB Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21 16000489 MJFBFVYLUHLRPZ-UAKAABGRSA-N 446.463 2.643 5 40 IFBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 17097507 BGOGNTLGVZYSNR-UHFFFAOYSA-N 431.499 2.945 5 40 IFBB Cc1ccc2c(COC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc(=O)oc2c1 2616816 IUBBQSHRVZBBGB-UHFFFAOYSA-N 436.376 2.739 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9720927 OVZKHDGXDCCUBM-UHFFFAOYSA-N 426.838 2.667 5 40 IFBB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO 12557352 NBSWOZVHNLCPRX-FQEVSTJZSA-N 427.457 2.910 5 40 IFBB COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 22998433 HWIOWDBMHAMCOI-UHFFFAOYSA-N 432.458 2.785 5 40 IFBB COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 23055402 JWGUKJWRLAMUKG-LBPRGKRZSA-N 439.515 2.973 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCCC[C@H]3C)nc(O)c21 253565086 HHCKIJBCQHWYSX-TZMCWYRMSA-N 440.460 2.842 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2)n1C 409344449 JGYGPRRGQCHKCN-UHFFFAOYSA-N 440.485 2.944 5 40 IFBB CCCNC(=O)[C@H]1CN(CC(=O)Nc2c([N+](=O)[O-])ccc(C)c2C)c2ccccc2O1 19531404 GOLBVEFSVUSMBK-LJQANCHMSA-N 426.473 2.944 5 40 IFBB COc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36329697 CMNCTROEJYOROF-HNNXBMFYSA-N 434.518 2.713 5 40 IFBB CCOC(=O)CN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225013234 UUBXIXBTWFQYNP-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225067046 DUTYBGFGXYHUKI-KRWDZBQOSA-N 443.500 2.968 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)Nc1cccc([N+](=O)[O-])c1 113480653 NOTCVXPHGRRRSW-KBPBESRZSA-N 444.538 2.832 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220337356 JIOVFGGBRHVJNZ-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 20153172 YTSXPRKAGIMZRE-UHFFFAOYSA-N 428.470 2.949 5 40 IFBB Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 8986547 GBGXHVOXMVHKSL-UHFFFAOYSA-N 438.513 2.831 5 40 IFBB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9630670 OOMLSTFQFOQMLY-OAHLLOKOSA-N 426.303 2.935 5 40 IFBB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 40079529 LCAAQCZSNDLHOF-OAHLLOKOSA-N 428.876 2.950 5 40 IFBB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224780043 MNHUNUYOPXNXDO-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 503519069 YISKYXYEFPKYRO-DJJJIMSYSA-N 429.452 2.534 5 40 IFBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 10255358 JBCDMEMGASDNEO-HNNXBMFYSA-N 430.486 2.550 5 40 IFBB Cc1nn(CC(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(=O)c2ccccc12 12521809 HDORJVMHIXGKDX-UHFFFAOYSA-N 449.389 2.860 5 40 IFBB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223006527 MUAFQVRRBUSOLZ-GOSISDBHSA-N 429.473 2.844 5 40 IFBB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@H]4C)nc(O)c32)cc1[N+](=O)[O-] 253572496 QGFBQMYDZCAACH-TZMCWYRMSA-N 440.460 2.842 5 40 IFBB Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(=O)n(-c2ccccc2)n1C 2617140 VTUYVKHRYKFKCV-GFCCVEGCSA-N 430.442 2.638 5 40 IFBB Cc1sc2nc(C)n(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(=O)c2c1C 2779560 LNFBSKMEURGLNO-UHFFFAOYSA-N 428.430 2.513 5 40 IFBB C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 10647036 WXMVSHSPKNUEKW-AWEZNQCLSA-N 447.469 2.563 5 40 IFBB CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc21 30509743 BNRDMWLJAULXKL-LLVKDONJSA-N 426.381 2.661 5 40 IFBB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 408553784 QLZYZJCETDBCCL-LLVKDONJSA-N 427.866 2.871 5 40 IFBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c(c1=O)S[C@H](C)C2 11726528 MNKJHOHYVUXNCC-LLVKDONJSA-N 436.515 2.565 5 40 IFBB Cn1c(=O)c2ccccc2n2c(COc3c(Br)cc(F)cc3[N+](=O)[O-])nnc12 24842198 XLDFYCCCCPWFID-UHFFFAOYSA-N 448.208 2.970 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCc1ccc(F)cc1)S(C)(=O)=O 224854170 BCDQIRNBLYRDKE-UHFFFAOYSA-N 437.493 2.947 5 40 IFBB Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2ccnc2C)c2cccc([N+](=O)[O-])c2)cc1 1305114 JZKXRFFJPLLWHE-LJQANCHMSA-N 430.486 2.665 5 40 IFBB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@@H]1C 9439853 MOEVTQPOSDPZHA-UMVBOHGHSA-N 447.517 2.972 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)Cc1cc(OC)c(OC)c(OC)c1 3290577 OQTQFUVXTRDTJQ-LBPRGKRZSA-N 448.428 2.742 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H]1CCCc2c1cnn2CCO 32932673 FNROZMXBERVFOJ-LBPRGKRZSA-N 434.396 2.567 5 40 IFBB COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 8790870 KFTJEDCHLKYKSP-VMPITWQZSA-N 446.412 2.824 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]2[C@]2(C)C[C@H]3CC(C)(C)C2)C1=O 9087291 DHODMZNNQNKHKU-ULYRPOKDSA-N 440.500 2.961 5 40 IFBB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 84792571 HYEUGIWPAZDPPT-VGMNTSGFSA-N 433.461 2.619 5 40 IFBB Cc1ccc(OCC(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)c([N+](=O)[O-])n1 22677271 ZASZKWVEEATWDP-UHFFFAOYSA-N 426.351 2.793 5 40 IFBB CCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 4121277 FERNXJSZVVZXTN-UHFFFAOYSA-N 427.417 2.814 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccccc1OCC 13062714 LOSXDBMPQYBYMN-QLYXXIJNSA-N 446.463 2.503 5 40 IFBB Cc1c(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 16250179 RKDDXNQUZWMOSO-UHFFFAOYSA-N 442.291 2.925 5 40 IFBB CCc1c(C(=O)NCc2cccnc2N2CCOCC2)cnn1-c1ccc([N+](=O)[O-])cc1 30634476 HSTSFVWCGCKROO-UHFFFAOYSA-N 436.472 2.505 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCOc1ccccc1Cl 9495318 KSIHBMDQUOCJBL-UHFFFAOYSA-N 442.877 2.727 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3ccccc3O)cn2)c([N+](=O)[O-])c1 9630411 ZIMXKBYJZRRUBY-UHFFFAOYSA-N 444.469 2.748 5 40 IFBB COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220386548 BZEDURKJFVVGLG-AWEZNQCLSA-N 449.485 2.791 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220417792 QDWAGYCBXMCMMY-ZDUSSCGKSA-N 435.458 2.565 5 40 IFBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2363697 MRWLCNVATHDCBP-UHFFFAOYSA-N 448.438 2.974 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=CC=C[C@H]21 9312298 JYQKECMMEZRDPQ-AFYVEPGGSA-N 448.410 2.639 5 40 IFBB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1Br 9631260 VTUXGQYLXBQQHL-HNNXBMFYSA-N 437.202 2.679 5 40 IFBB CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F 30752406 NGFPRYDNWNITES-UHFFFAOYSA-N 430.845 2.639 5 40 IFBB O=C(NCc1ccccn1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 819465 HJWQKCBCLUPBPS-SFHVURJKSA-N 426.816 2.545 5 40 IFBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccc3c(c2)OCO3)cc1 8741140 PGFSQBXYKFQZHM-HZPDHXFCSA-N 447.494 2.599 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12803500 XGJAIYNCIWMOTG-UHFFFAOYSA-N 429.498 2.620 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl 225093633 JVAHCSUMHQXGAU-UHFFFAOYSA-N 429.794 2.745 5 40 IFBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 409061585 GAZRGJLINZHGKN-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(Br)cc1 9715132 BFGUAUVOWBFIKT-UHFFFAOYSA-N 438.234 2.557 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 21129517 XGKQVCHAFLAJHW-STQMWFEESA-N 445.403 2.666 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 21186938 OJCWEQMQEWRBCZ-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB COc1ccc(C(=O)NC(=O)COc2c(Br)cc(F)cc2[N+](=O)[O-])cc1 12910867 JMVDUZHFCBBFPJ-UHFFFAOYSA-N 427.182 2.840 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@H]5C)c(=O)c4cc3c2=O)n1 40398999 ZEBJOQIMHOXXFJ-IQUTYRLHSA-N 434.500 2.962 5 40 IFBB COc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1 220381307 QBLARYSPKYGDFY-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224599683 VEUBAMTWNJKROR-UHFFFAOYSA-N 438.458 2.761 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408639934 HNTVVINOPCWMOI-CQSZACIVSA-N 427.413 2.772 5 40 IFBB Cc1cccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 103551277 MJFBFVYLUHLRPZ-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)c1 408664259 ZDKQAZMXGZSMBF-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB CC(C)CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)N(C)C(=S)N(C)C2=O)[C@@H]1C(C)C 8744551 NHJPWUDORCPIKX-KRWDZBQOSA-N 432.546 2.840 5 40 IFBB Cc1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1C 9128097 LGFPMDZRDJULDT-UHFFFAOYSA-N 436.424 2.861 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 14398976 DZVUAWBTEHGBLS-UHFFFAOYSA-N 427.504 2.735 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 248381644 UPBYRKFPAKVBFS-ANULTFPQSA-N 433.420 2.708 5 40 IFBB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)[O-] 2039204 HFGDOEGDRDVXPX-JOHXPNBHSA-N 429.425 2.894 5 40 IFBB NS(=O)(=O)c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1 9127454 ZXMFLPPCCSELBO-UHFFFAOYSA-N 430.408 2.588 5 40 IFBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)no1 9730590 PDZGDPJIRONEMV-UHFFFAOYSA-N 432.414 2.710 5 40 IFBB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 38828432 LCOBDVHVBIWIHU-JMSVASOKSA-N 440.460 2.510 5 40 IFBB COc1ccc(NC(=O)COC(=O)C[C@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1 9511214 BRURZYXDZWUZAN-MRXNPFEDSA-N 431.426 2.588 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 9087842 DLBRFBSADBVILO-BQJUDKOJSA-N 444.447 2.809 5 40 IFBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 15742885 JKZWMYWUKFLUSV-VQHVLOKHSA-N 449.916 2.936 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1ccccc1 106708935 QQMYLHTTYWWIKY-APSNUPSMSA-N 427.394 2.999 5 40 IFBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N[C@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c2)C1 109050655 AZWLSAMKUVDWFF-QLFBSQMISA-N 440.566 2.977 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22367139 RXJBMLBFGIOZNL-HNNXBMFYSA-N 435.502 2.864 5 40 IFBB Cc1ccc(C)n1C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 58157951 NESJKLMYXIRUNQ-UHFFFAOYSA-N 448.545 2.876 5 40 IFBB O=C1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c4cccnc34)cc2Cl)CCN1 95451647 DVGABYIFBWJVMI-UHFFFAOYSA-N 425.832 2.985 5 40 IFBB C[C@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 3594554 OOUCSOJSSPVGIG-GOSISDBHSA-N 447.245 2.763 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1 9284227 UTQUIWBQRSGKAH-UHFFFAOYSA-N 439.346 2.834 5 40 IFBB CCOc1cc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)ccc1O 10296670 XJYWBQPYOSCXOK-GOSISDBHSA-N 448.399 2.543 5 40 IFBB CCOc1ccc(CCNC(=O)COC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OCC 13056548 PXQVUVISRSYPHA-UHFFFAOYSA-N 446.456 2.917 5 40 IFBB O=C(CNC1=NS(=O)(=O)c2ccccc21)OCc1cc(=O)oc2ccc3ccccc3c12 13148863 GRACSZISLJJIEC-UHFFFAOYSA-N 448.456 2.728 5 40 IFBB CC[C@H](C(=O)NCCN(C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260507385 KSTVSILCDNAZIK-LJQANCHMSA-N 448.545 2.700 5 40 IFBB CCOC(=O)[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 1399677 JKBMUUVWDHDNNA-QGZVFWFLSA-N 440.861 2.909 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2csc3nc(-c4cccs4)nn23)cc1 9569560 XFJPOGQHFUKHLL-UHFFFAOYSA-N 435.512 2.949 5 40 IFBB CC(C)(C)NC(=O)CN1CCCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 26349964 LUEXAZWGZKUVBD-UHFFFAOYSA-N 448.567 2.604 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@@H]1c1ccccc1 408731298 LPCJVRMUAOGXMR-MTGKDYNDSA-N 449.488 2.815 5 40 IFBB COc1cc([C@@H]2N[C@@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])ccc1O 2285742 LWFVMHYOVYRDHE-LWYYNNOASA-N 447.444 2.817 5 40 IFBB O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1nc2ccccc2[nH]1 8973554 JLXDWSSIAGKDOG-UHFFFAOYSA-N 429.392 2.715 5 40 IFBB Cn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCc1ccc([N+](=O)[O-])cc1 13856342 FTWILSCPDAHUFY-UHFFFAOYSA-N 427.442 2.674 5 40 IFBB O=C(NCc1ccccc1CN1CCOCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 18213984 PKMCWGTZQXOKPL-UHFFFAOYSA-N 438.528 2.960 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccncc1 100823307 UAYGTVYGYBHTMB-SZXQPVLSSA-N 445.479 2.618 5 40 IFBB COC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C 220389152 YTOKIKXLENMXMO-AWEZNQCLSA-N 449.485 2.791 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O 408686599 SDHQSIPLFIBRGF-UHFFFAOYSA-N 432.776 2.863 5 40 IFBB COC(=O)c1ccc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc1 19646976 ZQYCZNVKVTYZNM-UHFFFAOYSA-N 448.395 2.934 5 40 IFBB COC(=O)c1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1 25212851 KDSHCZYHBXUIEN-UHFFFAOYSA-N 429.404 2.555 5 40 IFBB CCOc1cccc([C@@H]2C[C@H]2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 95463032 BPZKQGNMKFATPP-AZUAARDMSA-N 447.513 2.982 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 220393029 OCHMDAOJKVVYEB-HNNXBMFYSA-N 437.493 2.946 5 40 IFBB O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 408737870 PJGBUNZZTJBADX-KRWDZBQOSA-N 426.381 2.649 5 40 IFBB CN(Cc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12523514 RJXSKYLEAROVSM-UHFFFAOYSA-N 425.894 2.906 5 40 IFBB CCN(CC)c1ccc(CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cn1 40118603 LBLKUENZMZIVKB-UHFFFAOYSA-N 436.472 2.620 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1 40398969 SUJRMCYAMSNGTA-UHFFFAOYSA-N 434.843 2.608 5 40 IFBB CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 409025917 AIJXIHJMVYSIIT-UHFFFAOYSA-N 432.285 2.984 5 40 IFBB CN(C)CCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 6878655 OMFDVPDEWBDENN-UHFFFAOYSA-N 441.517 2.931 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCc3ccccc32)c([N+](=O)[O-])c1 9662673 IOELGLNPLKSYMC-UHFFFAOYSA-N 433.486 2.593 5 40 IFBB COc1cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c([N+](=O)[O-])cc1OC 10213416 OTFWZXSYYQLDIU-UHFFFAOYSA-N 435.458 2.794 5 40 IFBB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 40040539 WQAILTMKRZSTGC-QRTARXTBSA-N 431.445 2.616 5 40 IFBB O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 5942103 OPOUWGWOUABKBP-UHFFFAOYSA-N 434.352 2.912 5 40 IFBB O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9120605 NHFJLGNKPIRDMD-UHFFFAOYSA-N 445.815 2.806 5 40 IFBB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 9638907 XRWVBQHXOGFARD-VOTSOKGWSA-N 444.469 2.922 5 40 IFBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 14269620 QSJMENGNNYFLDD-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB COc1ccc(C(=O)O[C@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 21282484 ANDJTQREMMQPQX-CQSZACIVSA-N 429.429 2.520 5 40 IFBB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548513 CYXQGWJZFNNFKY-QGZVFWFLSA-N 435.502 2.773 5 40 IFBB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224662137 RMWZDEJHFZNSDM-INIZCTEOSA-N 429.473 2.926 5 40 IFBB COC(=O)c1cc(C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)cc([N+](=O)[O-])c1 9492069 PMKFVMRYPJOFOO-UHFFFAOYSA-N 430.457 2.871 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 100982812 KMWBBQOLMNGCIL-DOTOQJQBSA-N 442.815 2.546 5 40 IFBB COC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408660618 BGGSVLDDRYPGED-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16001865 DFFPYYJAFMBLNB-UAKAABGRSA-N 446.463 2.643 5 40 IFBB C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 29888645 ZEEQPDSVCXEXMB-NSHDSACASA-N 443.403 2.870 5 40 IFBB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)CCN2C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 95963937 ZUOYEHBOVPYQGJ-LLVKDONJSA-N 430.392 2.696 5 40 IFBB Cc1cnc2c(S(=O)(=O)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)cccc2c1 29834820 HUIJYPDPMVDRRK-UHFFFAOYSA-N 426.498 2.958 5 40 IFBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O2 30945851 AZTSRBOOPNPEDX-MRXNPFEDSA-N 425.850 2.722 5 40 IFBB C[C@H]1CN(c2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@H](C)O1 57992042 NAGNYDAXKUMLMU-IRXDYDNUSA-N 440.504 2.958 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)CC(C)C 103628972 YGQRCGWLNUVPKF-ROMGYVFFSA-N 448.479 2.941 5 40 IFBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc([N+](=O)[O-])c1 109034454 KUBCCNSIKLKVEE-UHFFFAOYSA-N 449.876 2.993 5 40 IFBB CC[C@H](C(=O)NCCSCc1ccco1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520848 BYCXZDDHQCWJIQ-QGZVFWFLSA-N 441.531 2.782 5 40 IFBB Cn1c(=O)c2cc(-c3nc4ccccc4[nH]3)c(-c3ccc([N+](=O)[O-])cc3)nc2n(C)c1=O 9338071 FSLZFSDTEDMVIH-UHFFFAOYSA-N 428.408 2.751 5 40 IFBB COc1ccc(-c2nn3c(SCC(=O)c4ccc([N+](=O)[O-])cc4)nnc3nc2O)cc1 22720519 SSSHGLVYJAKULY-UHFFFAOYSA-N 438.425 2.784 5 40 IFBB COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cnn(C)c1 24585734 SECRMBQCHBGZIX-UHFFFAOYSA-N 431.474 2.774 5 40 IFBB CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)O 95080821 RXAVPVJHKQGZLP-ZDUSSCGKSA-N 430.255 2.868 5 40 IFBB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48279261 VQYNBDWZZAKRMS-GFCCVEGCSA-N 431.836 2.859 5 40 IFBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1 224965169 XUIGBMKBUMPXKD-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1 2671183 KGOWXRLOBAYZKO-UHFFFAOYSA-N 444.421 2.706 5 40 IFBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 2738405 XQGAAVCUFGTODK-UHFFFAOYSA-N 442.295 2.540 5 40 IFBB CCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 13546555 OVYDELGGQGIXNU-YHYXMXQVSA-N 431.220 2.662 5 40 IFBB CNc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12822925 SACADWSJSCGOQQ-UHFFFAOYSA-N 432.502 2.741 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)CC 103629562 VMLZBDVNLSRNDB-VYIQYICTSA-N 444.491 2.906 5 40 IFBB Cc1c(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220028614 KKKKCWOAYBLDPK-UHFFFAOYSA-N 429.564 2.851 5 40 IFBB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 12623337 RSNISMVJEOWYMJ-UHFFFAOYSA-N 440.485 2.860 5 40 IFBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 12631729 YLQNQKWUERIZDR-CYBMUJFWSA-N 440.472 2.982 5 40 IFBB O=C(NCCc1ccccc1F)C1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 48288001 XKHPIIIVKDLVOR-UHFFFAOYSA-N 442.447 2.670 5 40 IFBB O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 408737872 PJGBUNZZTJBADX-QGZVFWFLSA-N 426.381 2.649 5 40 IFBB Cc1ccccc1CSCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409027883 IDXGRRJHJDCPNP-UHFFFAOYSA-N 437.543 2.719 5 40 IFBB O=C(c1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 3131400 PNGDHTOYBUDGJI-UHFFFAOYSA-N 443.403 2.760 5 40 IFBB COC(=O)c1cn(C(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc12 222632950 MAEUCKDOPUKWTN-ZDUSSCGKSA-N 445.453 2.831 5 40 IFBB O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 9119586 OZFMPBCPVFFZSX-UHFFFAOYSA-N 442.497 2.542 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCCN1CCOCC1 20219664 ASDAPNQFYWDYGK-NRFANRHFSA-N 449.463 2.969 5 40 IFBB C[C@H]1CN(c2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 57992040 NAGNYDAXKUMLMU-CALCHBBNSA-N 440.504 2.958 5 40 IFBB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 113480312 MWNHNOOEPBUXAN-ZIAGYGMSSA-N 444.538 2.832 5 40 IFBB CC(C)Oc1ccc(CNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220419980 ZPNHEWOTRSSDNV-HNNXBMFYSA-N 435.502 2.853 5 40 IFBB COC(=O)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222685040 LWEKLPWFIZWHPA-UHFFFAOYSA-N 435.458 2.566 5 40 IFBB COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br 408567798 RJAJBISPEUTTND-KHDYIWLOSA-N 432.274 2.980 5 40 IFBB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1866690 IBCJLCGHCBIGCU-REWPJTCUSA-N 448.479 2.798 5 40 IFBB biogenic CCCn1ccn(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1=S 12740375 JUQKQGNLUBNZLC-UHFFFAOYSA-N 439.563 2.520 5 40 IFBB COc1cc(OCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225696606 BIZWQQDSYNGQBW-QGZVFWFLSA-N 443.500 2.967 5 40 IFBB CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 17046066 NGKKKFKTIZCIEN-KSZLIROESA-N 446.368 2.647 5 40 IFBB COc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220027014 RGSDFANKHPTQBV-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1ccccc1C)S(C)(=O)=O 222370018 QAISXUURHNGOSU-UHFFFAOYSA-N 435.502 2.774 5 40 IFBB CCOC(=O)COc1c(Cl)cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1OC 409319836 MKRKBZVBOOPUSM-SNAWJCMRSA-N 425.781 2.570 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22391072 OUSVGFGCSKWKCB-UHFFFAOYSA-N 437.474 2.795 5 40 IFBB O=C(CCC(=O)c1ccc2c(c1)OCCO2)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9662117 ASHKNDCNMGERQV-UHFFFAOYSA-N 429.381 2.939 5 40 IFBB CCOC(=O)C1=C(COC(=O)c2cccc([N+](=O)[O-])c2C)NC(=O)N[C@H]1c1ccccc1 11004085 FYLKKWGOMRRHNC-IBGZPJMESA-N 439.424 2.931 5 40 IFBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 13012676 LHHLLEQTFJETQO-HNNXBMFYSA-N 433.486 2.810 5 40 IFBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(F)cc1)S(C)(=O)=O 13715625 VZHIUGDNVKBDTK-MRXNPFEDSA-N 425.438 2.926 5 40 IFBB COc1ccccc1OCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14157867 NPXPMWIOHJQLSB-UHFFFAOYSA-N 449.466 2.910 5 40 IFBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)s1 15391423 ZMYBZVVWAZEEAN-UHFFFAOYSA-N 448.438 2.869 5 40 IFBB CCCCn1/c(=N\C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176567 IIEOHBPTRLRILF-QQTULTPQSA-N 434.452 2.960 5 40 IFBB CC[C@H](C(=O)NCCc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518892 BEPPJHUBJAGMNX-LJQANCHMSA-N 435.502 2.507 5 40 IFBB COc1ccccc1N1C[C@@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O 9128455 ZTSRMNDQISBJHA-ZDUSSCGKSA-N 428.397 2.566 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(C)=O)N1c3ccccc3C=C[C@H]21 13551731 LSBXBYVHMIJRLS-QYRPDUKASA-N 433.420 2.582 5 40 IFBB O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 26779990 PXONITQSAVXGLX-UHFFFAOYSA-N 440.865 2.913 5 40 IFBB Cn1ccnc1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 58364745 OFIJSRVUABCRMV-FQEVSTJZSA-N 439.447 2.823 5 40 IFBB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(OC)c([N+](=O)[O-])c1 940589 NSDIHGQSDXHSFP-GOSISDBHSA-N 437.416 2.526 5 40 IFBB CCOc1ccc(CCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 22348095 WSVHIEABHGCYMG-UHFFFAOYSA-N 435.502 2.509 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCN(C)c1ccccc1)S(C)(=O)=O 222377752 XCRJMPDSKADGDC-UHFFFAOYSA-N 448.545 2.702 5 40 IFBB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015281 BROHUBXADHFYRC-UHFFFAOYSA-N 444.849 2.634 5 40 IFBB CCCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)c2ccccc2c1=O 3289676 GAKGWERRVHEMJI-UHFFFAOYSA-N 440.412 2.519 5 40 IFBB CCOC(=O)[C@@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12 12080554 UJUOWBOILYZONZ-CQSZACIVSA-N 439.424 2.879 5 40 IFBB C[C@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)csc2C1 14690787 SVLXKJOTRGKBIN-AWEZNQCLSA-N 449.554 2.928 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C(C)C 103628918 URAZRDQWNIZWTA-QQTULTPQSA-N 434.452 2.551 5 40 IFBB Cc1nn(Cc2ccc(C(=O)NCCCN3C[C@@H](C)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 23509463 NCOHZHKQIDEIJP-HZPDHXFCSA-N 429.521 2.686 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)CC2)c([N+](=O)[O-])c1 408571442 BEXXMKWEWUCTIM-UHFFFAOYSA-N 442.428 2.951 5 40 IFBB O=[N+]([O-])c1ccccc1SN[C@@H](NC(=S)Nn1cnnc1)C(Cl)(Cl)Cl 28294162 CPXFGIHUEKPASZ-SECBINFHSA-N 442.741 2.598 5 40 IFBB COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21 32640676 OEXDRIWUCQPADP-WBVHZDCISA-N 433.511 2.878 5 40 IFBB Nc1nc(Sc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])n[nH]1 33728555 IUVKOMDRBMQEJV-UHFFFAOYSA-N 426.867 2.901 5 40 IFBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 89459638 BOGNIKKXCGFKBL-UHFFFAOYSA-N 449.485 2.796 5 40 IFBB CC[C@H](C(=O)Nc1ccc(OC)cc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515891 CWAMKLLTAIPINW-QGZVFWFLSA-N 437.474 2.795 5 40 IFBB CN(C)CCCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 6878659 VHCRTQYZHNTZAQ-UHFFFAOYSA-N 441.517 2.931 5 40 IFBB O=C(COc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9355135 BLJZNHJDOZJRFA-UHFFFAOYSA-N 434.905 2.850 5 40 IFBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1nc2ccccc2s1 9373229 DQPUBBARAXHHAO-UHFFFAOYSA-N 442.453 2.837 5 40 IFBB CCCCCC(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 33403991 HJHFGMLTIKVOSB-UHFFFAOYSA-N 449.577 2.535 5 40 IFBB CC(C)c1nncn1CCNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] 72307663 HBGIINRDMSNDQE-HNNXBMFYSA-N 436.538 2.842 5 40 IFBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] 408656264 NBBWHHDVYQGVHM-NVXWUHKLSA-N 425.441 2.995 5 40 IFBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22527877 OGTYNEJVADUZBG-UHFFFAOYSA-N 449.420 2.606 5 40 IFBB CC[C@H](C(=O)NC)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223453647 HYCLMUHKPDLONL-GOSISDBHSA-N 445.472 2.544 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOc1ccccc1)S(C)(=O)=O 224853714 YIAPNTFPHUOJBZ-UHFFFAOYSA-N 435.502 2.645 5 40 IFBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCCc1ccccc1 881581 BCWASNSGVFPSCE-UHFFFAOYSA-N 427.486 2.753 5 40 IFBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 9708096 WRZVNAPJMGOSCV-NRFANRHFSA-N 431.452 2.849 5 40 IFBB CC(C)c1ccc(S(=O)(=O)CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 36395712 GOMUOSZRVHZZKL-UHFFFAOYSA-N 431.514 2.841 5 40 IFBB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113875426 GPMZKJNPKKBAAJ-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB CCOC(=O)c1ccc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10445674 DOLSEPOYEDBAQO-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB COc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 12563252 JHZXCCMAFNGLPK-HNNXBMFYSA-N 426.473 2.763 5 40 IFBB CCc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 224820425 AIIAMQLPPZWFTH-UHFFFAOYSA-N 449.529 2.899 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 408676150 AEMCSTPPHOUFTJ-LRGYGIHKSA-N 445.431 2.642 5 40 IFBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409203440 XCXIDFGNWSCPOH-MFVBVHDHSA-N 449.485 2.809 5 40 IFBB C[C@@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl 3467985 XCDRETZIGVVMNG-SECBINFHSA-N 449.778 2.554 5 40 IFBB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)C)c1 12807277 MIBPMODNOBTDFN-HXUWFJFHSA-N 427.457 2.956 5 40 IFBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399730 LIUCDDYBCBCMGW-AWEZNQCLSA-N 438.375 2.625 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 40400480 RJEAIQSHXUMIAS-ZDUSSCGKSA-N 434.412 2.795 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(C)=O 100820980 LLNKDAHXJDQJNX-LVWGJNHUSA-N 430.464 2.516 5 40 IFBB Cc1ccc(SCCNC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220026011 UJYJDRSWZNTIJO-UHFFFAOYSA-N 437.543 2.886 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222978079 JUIWQWDZRCPMFW-AWEZNQCLSA-N 433.436 2.675 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@H]3[C@@H]2C1=O 253487076 DIKMEPIJUPGTNE-MUGJNUQGSA-N 430.420 2.500 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSCc3ccc([N+](=O)[O-])cc3)CC2)cc1 10287675 VZCXBYGQDVSSTH-UHFFFAOYSA-N 449.554 2.670 5 40 IFBB O=[N+]([O-])c1nn(Cc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)cc1Br 13960069 GBSBNEZKHVOEDJ-UHFFFAOYSA-N 440.221 2.583 5 40 IFBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1cccnc1 19897959 BDRFLMSYZCEPTR-UHFFFAOYSA-N 426.454 2.502 5 40 IFBB COc1cccc(NC(=O)COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)c1 408608351 VZCGKLLXYRFGIZ-JXMROGBWSA-N 438.396 2.993 5 40 IFBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 4121726 YBKGICMIWIQUOP-UHFFFAOYSA-N 441.513 2.780 5 40 IFBB CCN(CC)CCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCC2 9745628 YBFMAFGDRADYTM-UHFFFAOYSA-N 445.545 2.713 5 40 IFBB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 17095386 HBBPMPUQKQWTNU-UHFFFAOYSA-N 427.486 2.811 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc2c(c1)OCO2 409157168 UKZXHNARKXVSTM-FRKPEAEDSA-N 427.394 2.999 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 3849470 JMULOZBMIZIXMV-IBGZPJMESA-N 447.447 2.981 5 40 IFBB biogenic O=c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100170971 NQTYRTCISNIAEE-UHFFFAOYSA-N 444.272 2.658 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc([N+](=O)[O-])cc1 100550338 OQSRFMYRDIDCDV-LRGYGIHKSA-N 446.415 2.946 5 40 IFBB O=C1NC(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 9122849 DGZOVTGIRHWQLK-GCJKJVERSA-N 436.493 2.944 5 40 IFBB COc1ccc(NC(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 9510159 JAKZTYCFWFABBX-KRWDZBQOSA-N 430.413 2.957 5 40 IFBB CN1CCN([C@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 32869520 PAWVASQCJQWCRT-LJQANCHMSA-N 429.546 2.949 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515698 JTXYTYLGHHPJLM-GOSISDBHSA-N 449.485 2.955 5 40 IFBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCC(C)CC1 23994001 MXFUEOHFYZDDDQ-UHFFFAOYSA-N 436.490 2.548 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c21 40399219 FUAQWZZJVXHZGH-CQSZACIVSA-N 434.412 2.795 5 40 IFBB O=[N+]([O-])c1ccc(CN2CCOCCN(Cc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 4257038 IMMZWSVMUMZQDX-UHFFFAOYSA-N 444.488 2.854 5 40 IFBB CCOc1ccc(CNC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222527913 PSAFUVNNDUDITN-LJQANCHMSA-N 435.502 2.855 5 40 IFBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 9594290 AYFVNFHHIPFPLI-UHFFFAOYSA-N 430.446 2.709 5 40 IFBB COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 10323813 GLUFXBQVUSWALP-UHFFFAOYSA-N 437.449 2.782 5 40 IFBB COc1ccc(C(=O)C2CCN(C(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 12739608 VGNVGUVDEFVFRP-HNNXBMFYSA-N 439.468 2.843 5 40 IFBB CCN1CCC(NC(=O)Cc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 14523749 NJEARRZRKDPTQP-UHFFFAOYSA-N 446.529 2.539 5 40 IFBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 20451938 OZSVAYHWVVYMKV-UHFFFAOYSA-N 448.482 2.733 5 40 IFBB Cc1c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 220032066 CBGREYLJBBILCH-UHFFFAOYSA-N 442.837 2.870 5 40 IFBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409203438 XCXIDFGNWSCPOH-GPLLRDDGSA-N 449.485 2.809 5 40 IFBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)c1 9064696 LNPBLROOYMSGAN-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB COc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12780810 ARYZVMVILAQBTJ-UHFFFAOYSA-N 433.486 2.708 5 40 IFBB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 12973357 OVNIEKHFQAEYJI-UHFFFAOYSA-N 427.383 2.914 5 40 IFBB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)O[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])(C3)C2 13102213 WPHCQBXBRFXILM-JNPCQWKZSA-N 429.473 2.940 5 40 IFBB CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35851769 YZHAQZXTTRKELF-DBYOASNMSA-N 446.463 2.588 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1nc(-c2cccc(Br)c2)no1 223761212 BBFNLOJNEDXPQG-UHFFFAOYSA-N 439.247 2.886 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408670508 QTTQKRCWIPZCAW-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB Cc1cc(C)c2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 6300338 DJZZKUBDYHJVLK-UHFFFAOYSA-N 445.497 2.626 5 40 IFBB CS(=O)(=O)N(CC(=O)NCCOc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 223523131 CFIYWEAMIFYMTD-UHFFFAOYSA-N 443.481 2.709 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408669911 PMXANMRMFQUTLE-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(I)c1O 409335771 ZJPWGIVPDDCZED-ARJAWSKDSA-N 445.169 2.675 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1[N+](=O)[O-] 3240539 PAVJSKWVQSOSSL-UHFFFAOYSA-N 431.405 2.809 5 40 IFBB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] 10255392 YYPWSKWIIQVEMS-CYBMUJFWSA-N 430.486 2.550 5 40 IFBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102801009 MXJIHONUPNMTOX-XHDPSFHLSA-N 446.294 2.936 5 40 IFBB CCOc1ccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220394226 DCKACBSWHXEXTA-OAHLLOKOSA-N 435.502 2.773 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 8818369 DNWQVLVEAJSWGP-UHFFFAOYSA-N 426.838 2.667 5 40 IFBB CCOc1cc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)c([N+](=O)[O-])cc1OC 24702442 PEVRSUDKBIJGHW-UHFFFAOYSA-N 428.445 2.888 5 40 IFBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 103064860 GYYPUIVELSQNGM-LHHMISFZSA-N 431.489 2.529 5 40 IFBB COc1cc(OC)cc(N2CCCN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC2)c1 532082869 YRQKLNGIMGCWPB-UHFFFAOYSA-N 444.488 2.913 5 40 IFBB Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCCN21 2452727 MJFBFVYLUHLRPZ-YDLHNXBPSA-N 446.463 2.643 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 8398950 XTYPVMBUOCVNQW-AWEZNQCLSA-N 443.460 2.929 5 40 IFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccnc1 102920148 ZWTIUVNBKZQPRX-SZXQPVLSSA-N 445.479 2.851 5 40 IFBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] 9708095 APTNORGSPSAHMN-OAQYLSRUSA-N 431.452 2.849 5 40 IFBB C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12882711 YVFSJPFJWHAWLB-QLJPJBMISA-N 433.804 2.908 5 40 IFBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@H]3C2=O)cc1 100204564 KDZGOUZYBVKMTF-WCDFTICCSA-N 433.420 2.778 5 40 IFBB COC(=O)c1ccc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222362343 CTZUELKLGCIPGD-UHFFFAOYSA-N 449.485 2.875 5 40 IFBB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 409148614 ZTNNKVYRJAIUCE-ZDUSSCGKSA-N 440.485 2.945 5 40 IFBB CNS(=O)(=O)c1ccc(N2CCC(N3c4ccccc4C[C@H]3C)CC2)c([N+](=O)[O-])c1 40135249 NTNCPQQARFHZLK-OAHLLOKOSA-N 430.530 2.923 5 40 IFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccncc1 101121814 IFJMFLKZNPWLKY-MEFGMAGPSA-N 445.479 2.851 5 40 IFBB COCCNC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 16805150 TUZKHKXQGUSLSQ-UHFFFAOYSA-N 433.486 2.929 5 40 IFBB CCCn1/c(=N\C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101125909 SGAQSCQTLHETLJ-MEFGMAGPSA-N 445.479 2.680 5 40 IFBB CNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222827558 OOXSHMIPFGMSPT-HNNXBMFYSA-N 431.514 3.000 5 40 IFBB CCOC(=O)c1[nH]c(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)OCC)c1C 3100841 FRBPFBZSOHGTKR-UHFFFAOYSA-N 449.372 2.850 5 40 IFBB COCCCn1c(C)cc(C(=O)COC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c1C 9129365 BTKBIDOQSJHLOB-UHFFFAOYSA-N 445.472 2.596 5 40 IFBB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc13)O2 13961109 SGKNWFDDPARLJC-OAHLLOKOSA-N 429.400 2.750 5 40 IFBB O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 16097487 DBHGBYGQUDVVAF-UHFFFAOYSA-N 432.864 2.733 5 40 IFBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 20149978 IQSACQMIBDSPGW-UHFFFAOYSA-N 442.457 2.873 5 40 IFBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224129795 IPXKOSAQCFYXQF-GOSISDBHSA-N 429.473 2.926 5 40 IFBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 224352966 DCLLXMZXTZIKIW-UHFFFAOYSA-N 433.486 2.578 5 40 IFBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811750 DSZHPXRVAMGHQU-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB C[C@H](c1ccccc1)n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9014978 LXGSWSIWPSFQLR-CQSZACIVSA-N 444.451 2.871 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(C(C)=O)cc2)c([N+](=O)[O-])c1 9127594 XCGKFMRGIXWHBI-UHFFFAOYSA-N 449.485 2.845 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 103538192 NATSYMZBJWSXHG-HAGHYFMRSA-N 430.420 2.500 5 40 IFBB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 19168235 ZUGSKSUVRQAMHQ-QRVBRYPASA-N 442.859 2.792 5 40 IFBB COC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c([N+](=O)[O-])c1 22223396 CJFYMZPPRGLIJF-UHFFFAOYSA-N 431.792 2.633 5 40 IFBB COc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 40143698 MXSYWDIZOJGYQA-ZIAGYGMSSA-N 425.850 2.753 5 40 IFBB C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 89920281 ANGUKCMMFWUTRM-ZIAGYGMSSA-N 430.465 2.551 5 40 IFBB O=C(CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1Br 100256069 URMHWEAMLINOSQ-CHWSQXEVSA-N 447.289 2.577 5 40 IFBB Cc1c(N(CC(=O)NCc2ccc(OC(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220035425 TVQLOFVIPSUTTC-UHFFFAOYSA-N 435.502 2.773 5 40 IFBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@@H]2c1ccc(F)cc1 19171424 TTXAYVNAUGHDQE-KSZLIROESA-N 430.823 2.923 5 40 IFBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1 32125336 LUNBPVPWTUVQBU-UHFFFAOYSA-N 443.529 2.872 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 35828588 VTQUSRNWSGYSPE-JSAFQYNZSA-N 446.463 2.643 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]21 101336475 WIQMGZPVMIKVIS-WTGUMLROSA-N 437.427 2.877 5 40 IFBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 216316049 OXSRZXKJJKDPIR-UHFFFAOYSA-N 439.515 2.711 5 40 IFBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 224769357 ZZGCLDIUQVAZSH-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225113374 YOOVSQOTXRFHSC-UHFFFAOYSA-N 426.422 2.809 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408657982 KKWVBBNQEWAKME-KDURUIRLSA-N 449.419 2.846 5 40 IFBB CCOC(=O)[C@H](C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12 12080555 UJUOWBOILYZONZ-AWEZNQCLSA-N 439.424 2.879 5 40 IFBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 409265250 ROUQXCJGWYBMMH-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB CCOc1cccc([C@@H]2C[C@@H]2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 95463030 BPZKQGNMKFATPP-ICSRJNTNSA-N 447.513 2.982 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 101325327 DHODMZNNQNKHKU-GIMINZRKSA-N 440.500 2.961 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 9286901 KXONZDYINQEQJK-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12555654 DCEHHLNFDKUADE-UHFFFAOYSA-N 446.529 2.765 5 40 IFBB Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1[N+](=O)[O-] 19643230 NAASZGSJHGMIDY-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]2C(=O)N1c1ccc(Cl)cc1)[C@H]1C(c2cccc([N+](=O)[O-])c2)=NO[C@@H]31 102546935 SORGFXCWQFLVGU-JBYHXDSRSA-N 439.811 2.554 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408651929 BSQFAMMOXVHINT-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9661877 ZUNHJNNXJLNCLS-UHFFFAOYSA-N 445.384 2.563 5 40 IFBB CN1CCN([C@@H](CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c2cccs2)CC1 32869519 PAWVASQCJQWCRT-IBGZPJMESA-N 429.546 2.949 5 40 IFBB CCCc1nc(S/C(=C/c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)C(=O)O)n[nH]1 408632605 RVKIGLWBPWWTBY-FOWTUZBSSA-N 432.506 2.635 5 40 IFBB O=C(COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)NC1CCCC1 9493435 SOFJZCVOIBMJHY-UHFFFAOYSA-N 448.453 2.578 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cc2ccccc2o1 11691336 GCCAIXNNOBUYHR-YYADALCUSA-N 442.431 2.850 5 40 IFBB O=C(NC[C@H]1COc2ccccc2O1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 31036755 ZZQFKPJZMRVWAW-HNNXBMFYSA-N 432.864 2.920 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C 245228177 IYXQKNVLLSQGHI-XUJVJEKNSA-N 425.869 2.605 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 408651225 NJFVPBILOXLOFC-USNOLKROSA-N 447.447 2.866 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1 2642975 LORQRMGHVNQOEY-UHFFFAOYSA-N 435.527 2.528 5 40 IFBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(F)cc1 19171426 TTXAYVNAUGHDQE-BZSNNMDCSA-N 430.823 2.923 5 40 IFBB O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 224353045 PABKGOSHRHGXMO-UHFFFAOYSA-N 433.486 2.578 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408665553 FVRFIDNTKNMNGV-NVXWUHKLSA-N 425.441 2.677 5 40 IFBB O=C(COC(=O)CCCCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 408672019 YQBKAXWNWMRYSD-UHFFFAOYSA-N 439.424 2.933 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9332535 YUSCMPHGYDSGAM-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 12562252 BEPZKLTXWYZQQA-GOSISDBHSA-N 439.516 2.511 5 40 IFBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@@H]45)[C@H]3C2=O)cc1 13732959 KDZGOUZYBVKMTF-JJMGOROYSA-N 433.420 2.778 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 14022870 VKAGZZJRPDSMBB-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc21 30509747 BNRDMWLJAULXKL-NSHDSACASA-N 426.381 2.661 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 100550342 IDCQCRGROZFUCR-SNHGZMDHSA-N 446.415 2.946 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224910021 LNIOSLMMKAHWME-UHFFFAOYSA-N 448.501 2.608 5 40 IFBB CO[C@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1 5049004 DWYWYUISCFNJMR-RCCFBDPRSA-N 446.368 2.647 5 40 IFBB CCOc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 10272636 WVUDMFLAZKKSRQ-MOPGFXCFSA-N 431.470 2.601 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 16000288 KXONZDYINQEQJK-UAKAABGRSA-N 446.463 2.643 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(C)=O)[C@@H]2C1=O 16035148 UPBYRKFPAKVBFS-PLACYPQZSA-N 433.420 2.708 5 40 IFBB COc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1[N+](=O)[O-] 25370470 ASXPENWMEQRHHS-UHFFFAOYSA-N 434.499 2.724 5 40 IFBB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 48288054 MLGXIHFBXLBXHE-UHFFFAOYSA-N 439.424 2.826 5 40 IFBB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(C[C@@H]2CCCCO2)[C@@H]1O 100763123 XOSGGNQJKNBDSY-UQKUNQFCSA-N 425.593 2.638 5 40 IFBB COc1cc(C2=N/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)O2)cc(OC)c1OC 8402869 XJQGFGORGMLXMG-QCDXTXTGSA-N 428.353 2.694 5 40 IFBB O=C1NC(=O)C2(CCN(Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)CC2)N1 95468606 UNSBNEICJXDIRF-UHFFFAOYSA-N 449.261 2.791 5 40 IFBB CC(C)Oc1ccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220419917 ZPNHEWOTRSSDNV-OAHLLOKOSA-N 435.502 2.853 5 40 IFBB O=c1n(-c2ccccc2)c(=O)n(Cc2cccc([N+](=O)[O-])c2)n1Cc1cccc([N+](=O)[O-])c1 2247095 DEOCJVBDVZFJNX-UHFFFAOYSA-N 447.407 2.714 5 40 IFBB COc1cc(CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC 9562353 FNCITCPCEGTPGG-UHFFFAOYSA-N 429.473 2.902 5 40 IFBB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1 9650627 QWAQLOMUVNDJFE-UHFFFAOYSA-N 448.482 2.646 5 40 IFBB CN(C)CCNS(=O)(=O)c1ccc(NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])c1 15208692 OWONIZKQOSGPDV-UHFFFAOYSA-N 431.518 2.571 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@@H]1C 108322062 IYXQKNVLLSQGHI-SLEUVZQESA-N 425.869 2.605 5 40 IFBB CC(C)[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 12527505 BZOHNHOUUBAXQW-INIZCTEOSA-N 438.472 2.572 5 40 IFBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1Br 224884622 PSKHAAYVBQFERC-UHFFFAOYSA-N 445.247 2.646 5 40 IFBB CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)n1 2780536 XQKQQAWORFDUII-UHFFFAOYSA-N 430.490 2.934 5 40 IFBB CCN(CC)C(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 6511092 SECAHUQYFACPOT-UHFFFAOYSA-N 435.502 2.976 5 40 IFBB Cc1nc2sc(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)c(C)c2c(=O)[nH]1 9223458 DFSIUDZGWQSEHC-UHFFFAOYSA-N 436.833 2.959 5 40 IFBB COc1ccc(OC)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 14269599 HCYKGALMJFWNOM-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB CC(C)C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 95464296 FNORDINSODDLOA-DOTOQJQBSA-N 427.523 2.621 5 40 IFBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4288820 MLDGXLHFVFRCQG-MRXNPFEDSA-N 437.861 2.792 5 40 IFBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224275949 HPTKGSZNUFTXGN-IZZDOVSWSA-N 445.497 2.588 5 40 IFBB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2148827 LFKRBQJSPBHLHO-REWPJTCUSA-N 448.479 2.798 5 40 IFBB biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1 9714613 DOIXBQBOOPTWOD-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB CCCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)CC1 12525798 YNJWYAIWAMDANN-UHFFFAOYSA-N 434.518 2.936 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccccc2OC)c1 408667953 SJMVYMVFZCXGBO-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)N1CCCCCC1 9561706 SEVKHNOCAGUNIU-SFHVURJKSA-N 439.896 2.948 5 40 IFBB CCOc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 12644399 QYRJEWVYGOCICH-UHFFFAOYSA-N 426.473 2.826 5 40 IFBB Cc1nc(N2CCN(C3CCCC3)CC2)nc(N2CCN(C3CCCC3)CC2)c1[N+](=O)[O-] 95446215 NRGJFMPHIQCLKX-UHFFFAOYSA-N 443.596 2.822 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 2196878 YUSCMPHGYDSGAM-YDLHNXBPSA-N 446.463 2.643 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 104123000 DIKMEPIJUPGTNE-WCIQWLHISA-N 430.420 2.500 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225113014 FAAREWFTKSEQQN-UHFFFAOYSA-N 426.422 2.809 5 40 IFBB COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Br 408567802 RJAJBISPEUTTND-WILYLXEWSA-N 432.274 2.980 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(C)c(C)c1 2494511 HBODFUGEKUWAAC-QLYXXIJNSA-N 430.464 2.721 5 40 IFBB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 13856778 ZKPCPHSEIRYFBX-INIZCTEOSA-N 440.408 2.551 5 40 IFBB COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)c([N+](=O)[O-])c1 14022883 YCYUAKSHELKHGN-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB O=C(Nc1nc(CN2CCOCC2)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 23312380 QMWNHSBQQHWHAF-UHFFFAOYSA-N 431.518 2.739 5 40 IFBB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 40390572 IYRIBJQGEJMMKT-OLZOCXBDSA-N 440.460 2.512 5 40 IFBB Cc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 224134625 MWXJVPLKHJDDQY-UHFFFAOYSA-N 441.893 2.518 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCCN21 248097008 IHHBCBQHEQVUOZ-KCOOYEKVSA-N 446.463 2.643 5 40 IFBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 32853544 LIOLBPXQESBMRC-JMLCCBQJSA-N 438.550 2.509 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224830824 HOQMSYKVXWPTIA-UHFFFAOYSA-N 425.507 2.766 5 40 IFBB COC(=O)c1cc(C(=O)N[C@H](CCSC)c2nnc3ccccn23)cc([N+](=O)[O-])c1 12885681 NFYXDIUUNBHEBW-OAHLLOKOSA-N 429.458 2.648 5 40 IFBB COc1ccc(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 17096802 QZYGJPXFUUIJFW-UHFFFAOYSA-N 430.377 2.922 5 40 IFBB COC(=O)c1cccc2c3c([nH]c12)CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C3 25577686 USWUXWKFUUMPBM-UHFFFAOYSA-N 429.454 2.829 5 40 IFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1Oc1ncccc1[N+](=O)[O-] 35198712 WFUKHAKGNDKKSJ-FNORWQNLSA-N 427.329 2.658 5 40 IFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)cc2)c1=N 100752486 SXGSWLGARODSRY-UHFFFAOYSA-N 432.480 2.865 5 40 IFBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1OC)S(C)(=O)=O 220337299 JIOVFGGBRHVJNZ-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 8449308 JFUZCHZXTWGALT-RWFYYTQISA-N 446.415 2.946 5 40 IFBB CN(C)CCCn1c2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc1=O)CCCC2 9747976 MGKFEUVISLLEBC-UHFFFAOYSA-N 445.545 2.713 5 40 IFBB C[C@@H](OC(=O)c1nn(C)c(=O)c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12815406 OLLPIGWORSPWHC-SNVBAGLBSA-N 430.804 2.679 5 40 IFBB CCOC(=O)CN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 27305053 OVYDELGGQGIXNU-BJMVGYQFSA-N 431.220 2.662 5 40 IFBB Cc1ccc(NC(=O)CNc2c(C)cccc2C(=O)N2CCC(O)CC2)cc1[N+](=O)[O-] 32927150 NLNCCXVEAMQFMX-UHFFFAOYSA-N 426.473 2.859 5 40 IFBB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 67286257 RYUIRNQFRFKWNH-NRFANRHFSA-N 436.468 2.824 5 40 IFBB CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545730 HEFCPUJIFSFHLS-OAHLLOKOSA-N 437.474 2.795 5 40 IFBB CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408597674 VTAZQCJQKCQFRD-LLVKDONJSA-N 427.866 2.952 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 408681709 IHGNBOWEGCZXMZ-IRXDYDNUSA-N 433.420 2.786 5 40 IFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(S(=O)(=O)C(F)F)cc1 3381081 GHHHRTPRYMPAGW-UHFFFAOYSA-N 429.353 2.815 5 40 IFBB O=C(COC(=O)CNC(=O)c1cccs1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 13100958 JQDSMXCQASYTLY-UHFFFAOYSA-N 431.348 2.587 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35830085 WAPMDJIAMPNFDS-HMSHQKHKSA-N 446.463 2.643 5 40 IFBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCCN1c1ncccn1 40070037 KULZRHVFWLSVPR-OAHLLOKOSA-N 438.410 2.991 5 40 IFBB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CCC[C@H]1C 103491537 MOEVTQPOSDPZHA-IPYPFGDCSA-N 447.517 2.972 5 40 IFBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)cc1 220036577 SIVTUOQKFJXSDB-KRWDZBQOSA-N 435.502 2.945 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408668933 VWVFWEGIVQTNOU-CQSZACIVSA-N 427.413 2.528 5 40 IFBB CCN1CCN(CCc2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3n2C)CC1 9016006 MMTGWKLLQKWUCM-UHFFFAOYSA-N 436.516 2.914 5 40 IFBB Cc1nn2c(SCC(=O)Nc3nnc(CC(C)C)s3)nc3ccccc3c2nc1=O 58180670 UUXOYAJYUZMHKD-UHFFFAOYSA-N 441.542 2.727 5 40 IFBB O=[N+]([O-])c1ccc2c(c1)ncn2S(=O)(=O)c1ccc(I)cc1 96305698 XVJUCBYUTFRGJY-UHFFFAOYSA-N 429.195 2.786 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 103562100 JYQKECMMEZRDPQ-MDNKFWRPSA-N 448.410 2.639 5 40 IFBB CC[C@@H](C(=O)NCCOc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223957058 NUDVBDAGGAYJOJ-IBGZPJMESA-N 449.529 2.951 5 40 IFBB CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077150 BUKDOZFXDQVOFP-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O 408656706 IVIAWYUCGOOZOG-OAHLLOKOSA-N 441.440 2.837 5 40 IFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 409241214 JLRLBVJBSVLQNZ-CXUHLZMHSA-N 429.410 2.984 5 40 IFBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8705880 OCMXLCABIPXVMQ-FQEVSTJZSA-N 441.465 2.859 5 40 IFBB CC[C@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1cccc([N+](=O)[O-])c1 139111752 PRLYQHUUWUJINA-DZGCQCFKSA-N 440.460 2.512 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1 408689169 XTALIOLPMUHKNO-OALUTQOASA-N 433.420 2.786 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCc3sccc3C2)CC1 12212675 BWDVDTJFLZSKQO-UHFFFAOYSA-N 449.554 2.950 5 40 IFBB COc1ccccc1N1CCN(CC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)CC1 32117942 IRFHXJLPMQVAKT-UHFFFAOYSA-N 427.486 2.974 5 40 IFBB COC[C@H](Nc1ncnc(Nc2ccc(Br)cc2F)c1[N+](=O)[O-])C(=O)OC 36393677 HXIJKGPOUALMJI-NSHDSACASA-N 444.217 2.630 5 40 IFBB CCOc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)N(C)C 12523390 FTEHWAIOVPSODG-UHFFFAOYSA-N 436.490 2.603 5 40 IFBB COC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 138928938 TZRRZWWSNBTZET-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 9332806 DIKMEPIJUPGTNE-NMLBUPMWSA-N 430.420 2.500 5 40 IFBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 12572443 ROEANEGOWCCUES-UHFFFAOYSA-N 434.430 2.930 5 40 IFBB CCc1ccc(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17096907 ZRSFHPONHVEOQH-UHFFFAOYSA-N 430.486 2.826 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21129523 XGKQVCHAFLAJHW-QWHCGFSZSA-N 445.403 2.666 5 40 IFBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(OC)c1OC 408564404 CNZOOXWEZHAIGG-RZNKLVQRSA-N 439.468 2.767 5 40 IFBB CN(CC(=O)Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 12527175 YJYURAMIBQTEOA-UHFFFAOYSA-N 436.465 2.593 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 16682625 KMWBBQOLMNGCIL-RDJZCZTQSA-N 442.815 2.546 5 40 IFBB COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080853 NYEQMIRLJOSHCP-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O 14068274 QKJDMUSOXMHNQH-PIGZYNQJSA-N 445.453 2.977 5 40 IFBB Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cccc1[N+](=O)[O-] 68968218 OWVFDFQDGIBDIX-UHFFFAOYSA-N 439.877 2.830 5 40 IFBB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1 408990028 JSCZCZHJASCGHL-IUODEOHRSA-N 430.471 2.510 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 9087066 HYDLLJOQCTWYSF-FLFXDLLNSA-N 446.463 2.588 5 40 IFBB Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc12 12545761 XVPXIAZQYANUPM-UHFFFAOYSA-N 434.521 2.667 5 40 IFBB COc1cc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)C(=O)O 13546675 ABTQOHCFRSCRRV-GFQQVXNGSA-N 441.396 2.548 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408667777 KTFWSVHDQVLAQL-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB Cc1cc(C)cc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9281904 AVAPOTUJOQJCEZ-UHFFFAOYSA-N 444.451 2.868 5 40 IFBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1N1C(=O)CCC1=O 223073482 NQJQYZINEOLRKM-UHFFFAOYSA-N 439.833 2.711 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1cccs1 408651205 NGZATIJSTCFMSF-HZPDHXFCSA-N 439.449 2.848 5 40 IFBB Cc1ccc(OCC(=O)NCC(=O)Nc2ccc(Br)cc2C)c([N+](=O)[O-])n1 8705725 GTIDREARTUSLAF-UHFFFAOYSA-N 437.250 2.503 5 40 IFBB COc1cc(NC(=O)Cn2nnc(-c3ccc(Br)cc3)n2)c(C)cc1[N+](=O)[O-] 9779118 ORYMHVJTKWYXPP-UHFFFAOYSA-N 447.249 2.967 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCOc1cccc(C)c1C)S(C)(=O)=O 223954492 GHLCQWDELMKBPZ-QGZVFWFLSA-N 449.529 2.870 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 253487634 NATSYMZBJWSXHG-FYQPLNBISA-N 430.420 2.500 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3c(OC)cccc3OC)CC2)c([N+](=O)[O-])c1 408576941 YYYNYABQALIJON-UHFFFAOYSA-N 443.456 2.751 5 40 IFBB Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1 2735633 BWRPGNPGRXVHKB-UHFFFAOYSA-N 444.320 2.987 5 40 IFBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)C(=O)N([C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104665244 ULIHEFYJEIDYPW-YHUYYLMFSA-N 442.472 2.766 5 40 IFBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220414518 WGCHQKJPSGDEQT-SNVBAGLBSA-N 442.837 2.950 5 40 IFBB O=C(OCCOc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1NCCO 9111970 KBHOMUTZMXMDFR-UHFFFAOYSA-N 425.235 2.997 5 40 IFBB N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101159621 MNQLMZOBIJVNBK-UHFFFAOYSA-N 431.471 2.988 5 40 IFBB CCc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 223312153 KPSQRMUBPPWCQG-CQSZACIVSA-N 435.502 2.809 5 40 IFBB CCOc1cc(CNCC(C)(C)C(=O)OC)ccc1OCCn1c([N+](=O)[O-])cnc1C 95997167 YWTKBRJKYOOOLQ-UHFFFAOYSA-N 434.493 2.866 5 40 IFBB CC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 2211530 JNFGUQSELOOXNA-UHFFFAOYSA-N 441.513 2.699 5 40 IFBB COCCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccc(C(=O)OC)cc12 9015814 SFAURZVARDCVCP-UHFFFAOYSA-N 446.419 2.879 5 40 IFBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 17097509 YTCFZLNZZXCLRC-UHFFFAOYSA-N 431.499 2.945 5 40 IFBB COC(=O)c1cc(NC(=O)c2cc(Br)c([N+](=O)[O-])[nH]2)cc(C(=O)OC)c1 40119382 SMKWYSCEGMYQMD-UHFFFAOYSA-N 426.179 2.511 5 40 IFBB CCc1c(C(=O)O)nnn1-c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 40146646 CZZXWPJKWCIATC-UHFFFAOYSA-N 431.430 2.545 5 40 IFBB C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422502 RZKLZJJQRPEKKW-CQSZACIVSA-N 446.485 2.515 5 40 IFBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220647146 ZTHDHSKIQAWPIK-KRWDZBQOSA-N 437.474 2.795 5 40 IFBB COc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 408563299 KZAISGKXLDHXEZ-SFHVURJKSA-N 439.346 2.870 5 40 IFBB COc1ccc(NC(=O)[C@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)c([N+](=O)[O-])c1 533413988 XWQVBIGUHKQNKV-KRWDZBQOSA-N 444.536 2.916 5 40 IFBB CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1 5049002 DWYWYUISCFNJMR-KSZLIROESA-N 446.368 2.647 5 40 IFBB CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(cc(=O)[nH]c2=S)N1 8439386 NFCFJIGYTLIIAL-KZULUSFZSA-N 444.469 2.825 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)c(C)c1 13164289 KOBLOGNOEQAKJM-VQHVLOKHSA-N 429.498 2.758 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc([N+](=O)[O-])cc1 13572358 MWNHNOOEPBUXAN-KGLIPLIRSA-N 444.538 2.832 5 40 IFBB COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 20647431 UKGGZQDQKVMGSR-QGZVFWFLSA-N 425.489 2.564 5 40 IFBB O=[N+]([O-])c1ccc(NCc2ccc(-n3cncn3)cc2)c(S(=O)(=O)N2CCCC2)c1 78432539 NKIBZIGILUKKFW-UHFFFAOYSA-N 428.474 2.572 5 40 IFBB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc([N+](=O)[O-])cc1Br 9403684 SLEVDKIMXLUGGM-UHFFFAOYSA-N 433.218 2.889 5 40 IFBB CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N[C@@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 13382116 KOGKQDDNBIWGRO-FGYAAKKASA-N 443.412 2.846 5 40 IFBB CCCCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 408618663 LBLXCVCKUCIBRW-UHFFFAOYSA-N 449.485 2.956 5 40 IFBB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9097107 CIRPYSAVUYDQLJ-UHFFFAOYSA-N 446.397 2.827 5 40 IFBB CCN(CC)C(=O)CN(C)c1ccc(C(=O)c2ccccc2C(=O)OC)cc1[N+](=O)[O-] 12778611 MQBYBSHARJCEFE-UHFFFAOYSA-N 427.457 2.917 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C)c(Cl)c1)S(C)(=O)=O 409411414 WLJPXJPVRLEYAM-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O 9089753 FRGSXXLVPZYBBX-QFBILLFUSA-N 434.452 2.550 5 40 IFBB COc1ccc(Cl)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 14154048 JTDVWSXGFKDIGN-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB O=[N+]([O-])c1cc2nc(Nc3ccc(Br)cc3)c3nnnn3c2cc1[N+](=O)[O-] 14921445 MOWFCFCHFJYHOC-UHFFFAOYSA-N 431.166 2.995 5 40 IFBB COc1cc(C(=O)N2CCCN(c3nc4ccccc4[nH]3)CC2)c([N+](=O)[O-])cc1OC 58216410 JHMDZACZNUAKCS-UHFFFAOYSA-N 425.445 2.841 5 40 IFBB O=C(CN1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1)Nc1ccccc1C(F)(F)F 95993832 SFBXSXMOATWJRO-UHFFFAOYSA-N 438.406 2.867 5 40 IFBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])CC2=O)cc1 9545883 MIVJGTAIIBHQOU-CQSZACIVSA-N 429.404 2.831 5 40 IFBB Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c1[N+](=O)[O-] 36394488 PAOYUAISEQHRQV-UHFFFAOYSA-N 430.436 2.955 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 409053719 OSGFWVPUVCATMC-UHFFFAOYSA-N 440.475 2.935 5 40 IFBB CNc1ccc(C(=O)O[C@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 16696521 OGOYXOJRZSHNPP-MRXNPFEDSA-N 426.473 2.526 5 40 IFBB O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 58157281 GGSJSDPPCWJYLE-UHFFFAOYSA-N 443.525 2.801 5 40 IFBB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224774063 YRTHKUMVJFFUFF-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@@H](C)C4)c([N+](=O)[O-])c1 6166731 XIDMTPPQUXMXFX-SNVBAGLBSA-N 429.458 2.533 5 40 IFBB COc1ccc(NC(=O)CN(C)CC(=O)Nc2cc(Cl)ccc2OC)c([N+](=O)[O-])c1 9492323 NPCILYOGYQFVHR-UHFFFAOYSA-N 436.852 2.774 5 40 IFBB CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 15544279 HIWXMVUZEBJKLT-UHFFFAOYSA-N 447.513 2.920 5 40 IFBB Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224819653 ZCZJHSWQXIPJPT-UHFFFAOYSA-N 435.502 2.645 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 408656727 OCZMFDICHAMLCZ-GOEBONIOSA-N 441.440 2.695 5 40 IFBB CC(=O)N(C)[C@@H](c1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccc(Br)cc1 9762205 CUBNSCXNYLQYKX-INIZCTEOSA-N 431.250 2.901 5 40 IFBB O=C(CN1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1)N1CCCC1 40071374 VDAPVMOSNXVWPO-UHFFFAOYSA-N 448.321 2.650 5 40 IFBB COCCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O 40399023 ZKXKONBSYMXJTA-UHFFFAOYSA-N 434.500 2.903 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc21 101153516 POZFQHTVNCNUAW-UHFFFAOYSA-N 449.486 2.624 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1 138695246 LGSSOEWGQSXGOW-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB CCOc1ccc(NC(=S)NC(=O)c2c(Br)cnn2C)c([N+](=O)[O-])c1 8457058 ZLWWJZPOBFTGCW-UHFFFAOYSA-N 428.268 2.616 5 40 IFBB CN(C[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9130943 SOSNJFZDVUELCG-OAHLLOKOSA-N 433.486 2.656 5 40 IFBB O=C(NCCc1ccccc1F)C1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1 40153729 GCSUHFJBFQRVLA-UHFFFAOYSA-N 428.468 2.674 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 220383467 NDHLVDNGTWALAE-OAHLLOKOSA-N 437.543 2.966 5 40 IFBB CC[C@H](C(=O)NCc1ccc(F)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548674 GQLXSOYGGKNUAT-MRXNPFEDSA-N 439.465 2.604 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087564 YQKZEOAWMJTQQN-UHFFFAOYSA-N 437.430 2.878 5 40 IFBB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 408660557 AQDOSDHZPPJUAC-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB COc1ccccc1NC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(OC)c([N+](=O)[O-])c1 940590 NSDIHGQSDXHSFP-SFHVURJKSA-N 437.416 2.526 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408678824 DIHVNIBQLINOAJ-SNHGZMDHSA-N 447.447 2.866 5 40 IFBB COCCn1ccc2c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cccc21 888089987 ULUPXMLROWYRIN-CVEARBPZSA-N 436.468 2.617 5 40 IFBB O=C([C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1)N1CCOCC1 12887446 TZQHOLUQUTWECZ-SFHVURJKSA-N 431.832 2.515 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 20802359 MKKSNLBGWHOXHE-RTBURBONSA-N 438.440 2.706 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 30752736 GGURHTHWLPJWHD-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB CCOC(=O)C1=C(CN2CCc3cc(C)c([N+](=O)[O-])cc32)NC(=O)N[C@@H]1c1ccco1 95459858 ROHYXJJSVXHBGU-LJQANCHMSA-N 426.429 2.730 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 223067279 ZEBJOQIMHOXXFJ-CKFHNAJUSA-N 434.500 2.962 5 40 IFBB Cc1nc2sc3c(c2c(=O)n1NC(=O)CCn1ccc([N+](=O)[O-])n1)CCCCCC3 2780753 JVFNCAWHMFIMLA-UHFFFAOYSA-N 430.490 2.691 5 40 IFBB Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1[N+](=O)[O-] 17861085 KIUFBPCJHFONGW-UHFFFAOYSA-N 443.525 2.929 5 40 IFBB CCOC(=O)c1cc(C(=O)N2CCN(Cc3ccc(OC)cc3)CC2)cc([N+](=O)[O-])c1 24118179 QQQAMXYEEFJCFP-UHFFFAOYSA-N 427.457 2.738 5 40 IFBB C[C@@H](C(=O)NCCSCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220404575 TZFCFWGZDMIDGE-HNNXBMFYSA-N 437.543 2.799 5 40 IFBB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548283 QNZASJGQSAJTCJ-INIZCTEOSA-N 433.486 2.737 5 40 IFBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1 408665063 SUPQXJXRKCUDNB-UHFFFAOYSA-N 430.373 2.794 5 40 IFBB Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)no1 2720081 DNHAWUBRTHGPJX-UHFFFAOYSA-N 445.482 2.816 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1 223776116 KPBINFJCIMQRAK-UHFFFAOYSA-N 440.481 2.985 5 40 IFBB O=[N+]([O-])c1ccc(F)c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 2662411 QPDWUBCOMZFBCK-UHFFFAOYSA-N 440.478 2.564 5 40 IFBB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CS(=O)(=O)C3)cc1 3009418 FIIPCNWKDGHAIY-UHFFFAOYSA-N 442.453 2.778 5 40 IFBB O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 12377104 YNNQGYMLIHAFDS-UHFFFAOYSA-N 439.497 2.983 5 40 IFBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1O 20153352 FPTKKIMYVQNWFT-UHFFFAOYSA-N 430.442 2.726 5 40 IFBB C[C@@]1(c2ccccc2Br)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 3594555 OOUCSOJSSPVGIG-SFHVURJKSA-N 447.245 2.763 5 40 IFBB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521714 ICAQOEGTZAOJSF-UHFFFAOYSA-N 426.473 2.759 5 40 IFBB CC(=O)N1CCCN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)CC1 59854319 XYRNUHXAVAZSEV-UHFFFAOYSA-N 438.484 2.586 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2N=CC=C[C@H]32)c(C)c1 104107983 DLBRFBSADBVILO-NCYKPQTJSA-N 444.447 2.809 5 40 IFBB C[C@@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220408800 UBTFLFRESNGPQJ-AWEZNQCLSA-N 429.564 2.931 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 9329925 BZJHOJGTMRZEGG-QGZVFWFLSA-N 438.889 2.843 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223827347 SQMHRNKKDYZKFI-AWEZNQCLSA-N 433.436 2.675 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408665549 FVRFIDNTKNMNGV-DOTOQJQBSA-N 425.441 2.677 5 40 IFBB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9630671 OOMLSTFQFOQMLY-HNNXBMFYSA-N 426.303 2.935 5 40 IFBB CNS(=O)(=O)c1ccc(NC[C@@H](c2cccc(OC)c2)N2CCCC2)c([N+](=O)[O-])c1 13038932 FSXZRFPZKXYJHF-FQEVSTJZSA-N 434.518 2.761 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16742602 IVTFPKWXUFAZKT-UHFFFAOYSA-N 445.523 2.794 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 21186944 OJCWEQMQEWRBCZ-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 36673298 VQWVWCTZICQCTI-MRXNPFEDSA-N 445.501 2.895 5 40 IFBB CC(C)NS(=O)(=O)c1ccc(Nc2cccc(CN3CCOCC3)c2)c([N+](=O)[O-])c1 58147489 PROZSJWQOZUSTQ-UHFFFAOYSA-N 434.518 2.857 5 40 IFBB COC(=O)C[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 72422465 RRAWJJWUHBASSE-LLVKDONJSA-N 448.384 2.986 5 40 IFBB O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)Nc1cc([N+](=O)[O-])ccc1Cl 79071402 KJLPUHXNZWPOJI-UHFFFAOYSA-N 431.586 2.719 5 40 IFBB CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409802 PNJSTZRRTONBFJ-CQSZACIVSA-N 448.501 2.526 5 40 IFBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 409162012 BVAHGCHEAORTIS-UHFFFAOYSA-N 440.485 2.867 5 40 IFBB CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)N1CCCC1 12522919 YKLCAGVBTQVTJO-GOSISDBHSA-N 440.566 2.538 5 40 IFBB O=C(COc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 27903373 LWYMYCKPLKLOSN-UHFFFAOYSA-N 434.905 2.850 5 40 IFBB COc1cc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC 9426474 YOIIIIWJMRDQDV-ZDUSSCGKSA-N 429.429 2.773 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1ccc(F)cc1 253487060 DGYSWVQUMJOIOE-LWYYNNOASA-N 448.410 2.639 5 40 IFBB C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)cc1F 12556430 ZVKAMZVFRQCFQP-CYBMUJFWSA-N 440.472 2.982 5 40 IFBB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13590262 WXPDIRVYHNMMSI-UHFFFAOYSA-N 447.425 2.739 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccccc2[N+](=O)[O-])CC3)cc1 15882621 APKOLUJOXFHDQP-UHFFFAOYSA-N 445.497 2.557 5 40 IFBB CCOC(=O)Cn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 100877754 IVPWQUBGVWRKGU-XDOYNYLZSA-N 442.453 2.874 5 40 IFBB CCN(CC)C(=O)[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 12907382 MTAPXMQLIHZPKU-SFHVURJKSA-N 434.470 2.765 5 40 IFBB CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12941818 KZVYKFWQOWOVCU-UHFFFAOYSA-N 427.848 2.822 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 19638479 IOPYNJABIHIRRB-UHFFFAOYSA-N 443.529 2.872 5 40 IFBB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102885483 MUDFLOGWSRAWHE-FVJVTNMWSA-N 446.463 2.588 5 40 IFBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 13382118 KOGKQDDNBIWGRO-LWYYNNOASA-N 443.412 2.846 5 40 IFBB COCCN(CCCN(C)C)c1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 72312215 PSMCIXVVEDYGGH-UHFFFAOYSA-N 442.582 2.564 5 40 IFBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224100104 ZOEQDVMPMQSLKQ-SFHVURJKSA-N 435.502 2.945 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2O)C1=O)N1CCc2ccccc2C1 409378219 NPWUZSVRTMBBRZ-ZDLGFXPLSA-N 439.449 2.922 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 11118245 BDPLBASUSJILAZ-UHFFFAOYSA-N 437.449 2.782 5 40 IFBB CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1c(N)n(CCCC)c(=O)[nH]c1=O 13041679 AOBZUJFNHDOYBK-UHFFFAOYSA-N 437.884 2.927 5 40 IFBB Cc1noc(C)c1S(=O)(=O)N1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 40153494 NTNDOHLTMLDTMX-UHFFFAOYSA-N 431.474 2.649 5 40 IFBB C[C@H](Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-])C(=O)NC(C)(C)C 58151866 AZWLSAMKUVDWFF-KFWWJZLASA-N 440.566 2.977 5 40 IFBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102801005 MXJIHONUPNMTOX-IAQYHMDHSA-N 446.294 2.936 5 40 IFBB COc1ccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)cc1 219829799 JFEKYAKHKHTELH-UHFFFAOYSA-N 428.401 2.699 5 40 IFBB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220216093 HFRVQEOUYKRLNF-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB Cc1ccc(C)c(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224034754 JQJQSRYWDQPYLC-INIZCTEOSA-N 435.502 2.561 5 40 IFBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3384026 ACJKGKSXJDAFLM-UHFFFAOYSA-N 433.424 2.715 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 408573057 LLMLVGZVKIIVHO-UHFFFAOYSA-N 427.457 2.808 5 40 IFBB C[C@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12882717 YVFSJPFJWHAWLB-MGPLVRAMSA-N 433.804 2.908 5 40 IFBB C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 32472043 TWYRSEFOTWIAHF-INIZCTEOSA-N 437.500 2.763 5 40 IFBB COC(=O)c1cc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OC)s1 58197108 BLTPWPVFMVHJRD-UHFFFAOYSA-N 428.806 2.900 5 40 IFBB COc1cc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] 89502517 NWPTYWJUHFZNNF-UHFFFAOYSA-N 446.441 2.874 5 40 IFBB O=C(CSc1nnc(CNC(=O)c2c(F)cccc2F)o1)Nc1cccc([N+](=O)[O-])c1 9518627 PVBPILXONKSZQG-UHFFFAOYSA-N 449.395 2.917 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9631174 LOZCYQFASURSGO-AWEZNQCLSA-N 449.485 2.809 5 40 IFBB COc1ccc([N+](=O)[O-])cc1OCC(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 24991027 SRAHLARJBKJXQV-UHFFFAOYSA-N 431.420 2.673 5 40 IFBB CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1 35079349 ZIMLSLDTHBAUCH-UHFFFAOYSA-N 427.866 2.954 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 38771423 XMDMJVUMYNMWRL-UHFFFAOYSA-N 448.482 2.900 5 40 IFBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 95433127 GXBBLSQFLLPNBX-NRFANRHFSA-N 447.557 2.936 5 40 IFBB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)cc2)c1=N 101097127 NCSZLBNVBMCGOR-UHFFFAOYSA-N 445.523 2.910 5 40 IFBB CC1CCC2(CC1)NC(=O)N(NC(=O)Cn1c3ccccc3c(=O)c3ccccc31)C2=O 14815141 AXBJXJXOAQMXPN-UHFFFAOYSA-N 432.480 2.687 5 40 IFBB CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 16694789 RFRQCBSQRGGNAS-VBROQKIQSA-N 434.474 2.510 5 40 IFBB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 24594852 NISYXOSRDADRGG-UHFFFAOYSA-N 445.907 2.677 5 40 IFBB O=C(CN1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 58210144 HEJQXBGDRMZKSB-UHFFFAOYSA-N 446.891 2.776 5 40 IFBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 103769296 OOYCQVXADWPACX-AEFFLSMTSA-N 426.816 2.880 5 40 IFBB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516800 NQDVJGQLUZRWGL-QGZVFWFLSA-N 435.458 2.565 5 40 IFBB C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 503519071 YISKYXYEFPKYRO-YJYMSZOUSA-N 429.452 2.534 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(F)c(F)c1F 3541189 NKCREPDKYNWUOB-SNVBAGLBSA-N 440.378 2.918 5 40 IFBB CSCC[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C 9127488 ALFKCLKYMKJLKU-AWEZNQCLSA-N 435.458 2.530 5 40 IFBB C[C@H]1C[C@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)C1 61931408 MXNYDHJPNGKCAU-IRXDYDNUSA-N 425.537 2.772 5 40 IFBB C[C@@H](c1ccccc1)n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9014977 LXGSWSIWPSFQLR-AWEZNQCLSA-N 444.451 2.871 5 40 IFBB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C3)c1 9518015 PNYJBXHHBKEQJH-UHFFFAOYSA-N 426.454 2.699 5 40 IFBB CNc1nc(SCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)nc2ccccc12 29424913 GYXXARLKXOIGGK-UHFFFAOYSA-N 440.441 2.641 5 40 IFBB CC[C@@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516152 SGIAGUNUQDVUOP-KRWDZBQOSA-N 437.474 2.795 5 40 IFBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1NC1CC1 9720928 CTQLTTVAZAKGMK-UHFFFAOYSA-N 447.473 2.588 5 40 IFBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 9908003 PLWBHLBDRYFOFT-UHFFFAOYSA-N 442.472 2.784 5 40 IFBB COCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100627939 GTIWJQRUSDSZBM-MRXNPFEDSA-N 431.496 2.574 5 40 IFBB CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 22375287 GDWDNVXRNUPABJ-GOSISDBHSA-N 435.502 2.945 5 40 IFBB CC(=O)Nc1ccc(S(=O)(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 2711553 RTMGAZOBTQDKTJ-UHFFFAOYSA-N 434.499 2.847 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224002284 ASMMVXKPSDMTER-HNNXBMFYSA-N 445.472 2.544 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc(C)c2C)CC1=O 408672389 WGXDEYMQFKMHBV-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 13590217 RXTANPDKCIWWON-UHFFFAOYSA-N 449.441 2.647 5 40 IFBB COC(=O)[C@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccc(F)cc1)C(F)(F)F 13800984 HWDBEIZXRDLPRR-MRXNPFEDSA-N 430.314 2.512 5 40 IFBB Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 34799051 MJFBFVYLUHLRPZ-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB O=C(c1cccc2ccccc12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 899655 BIDUKIIQKHYJGQ-UHFFFAOYSA-N 425.466 2.895 5 40 IFBB CNS(=O)(=O)c1ccc(N(C)CCCc2cc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 40149280 CDNDQBUXJXQFJF-UHFFFAOYSA-N 429.502 2.962 5 40 IFBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1OC 223582366 XVSBWVFTQGUDKF-UHFFFAOYSA-N 448.457 2.791 5 40 IFBB Cn1nnnc1Sc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1[N+](=O)[O-] 3366763 JGOJGVAVLLSWMG-UHFFFAOYSA-N 438.425 2.791 5 40 IFBB CN(C(=O)CSc1nc2ccccc2c2nc3ccccc3n12)[C@H]1CCS(=O)(=O)C1 8718149 JVYNWKMNHNVMNL-AWEZNQCLSA-N 440.550 2.773 5 40 IFBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 10119982 PAWXFKFQFFQDDW-UHFFFAOYSA-N 426.414 2.787 5 40 IFBB CCOc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296377 OAHDQXLLQVEJIM-GOSISDBHSA-N 432.400 2.837 5 40 IFBB Cc1cc(=O)c(C(=O)NCCOc2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-] 12893845 OCAINYXAHDNXHO-UHFFFAOYSA-N 428.832 2.911 5 40 IFBB COc1ccc(C2(NC(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCCC2)cc1 58246565 UQNOHBYVYGEJPB-UHFFFAOYSA-N 425.441 2.915 5 40 IFBB Cc1nnc(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)o1 408632795 STEDPYZJFMOOOF-WTKPLQERSA-N 449.182 2.814 5 40 IFBB O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408652538 DIBQUWZJXIMZEU-AWEZNQCLSA-N 437.408 2.597 5 40 IFBB O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409024808 HOEJUKCJBIEIQW-UHFFFAOYSA-N 429.498 2.901 5 40 IFBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1O 409346314 JZJJJQRIFKXGCN-YBEGLDIGSA-N 449.485 2.994 5 40 IFBB COc1ccc(C(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1[N+](=O)[O-] 3530353 UEPHAWOYNFOEHL-UHFFFAOYSA-N 434.202 2.731 5 40 IFBB CCc1ccc(OC[C@H](O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)cc1 12943915 UNRGDGUMOHRYPE-GOSISDBHSA-N 438.484 2.907 5 40 IFBB Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 95433128 GXBBLSQFLLPNBX-OAQYLSRUSA-N 447.557 2.936 5 40 IFBB Cn1ccnc1Sc1ccc([C@@H]2NS(=O)(=O)N=C3CCCCCN32)cc1[N+](=O)[O-] 5980292 MJKYQWGTFXBDDM-MRXNPFEDSA-N 436.519 2.601 5 40 IFBB Cn1cnc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 12534991 SFIHGLBBLSJPKY-UHFFFAOYSA-N 433.534 2.887 5 40 IFBB CCn1c(Sc2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])nc2ccccc2c1=O 33803446 KDBZLUMOCBQGLA-UHFFFAOYSA-N 434.499 2.726 5 40 IFBB Cc1c(NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] 38860266 ZILCYCLFSXMFKR-MRXNPFEDSA-N 425.850 2.722 5 40 IFBB CC[C@H](C(=O)NCCc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543853 ZNMANYCJQQFRKL-QGZVFWFLSA-N 435.502 2.507 5 40 IFBB C[C@H](OC(=O)N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1[N+](=O)[O-] 1529040330 HEJYBLHNZFMIKT-BJOHPYRUSA-N 432.341 2.604 5 40 IFBB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24946652 HGTPPRONZXREQP-UHFFFAOYSA-N 446.217 2.962 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(C)(=O)=O 224914381 PAHPBPBWLDUZBY-UHFFFAOYSA-N 432.502 2.908 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 408642957 PZWHYZHUUJIOGX-NSHDSACASA-N 430.373 2.512 5 40 IFBB Cc1c(O)ccc2c(COC(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])cc(=O)oc12 16319337 LELUNHZTHFCHEV-UHFFFAOYSA-N 440.408 2.909 5 40 IFBB COc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c(OC)c1 16944769 DYGMGODWHHNXRV-UHFFFAOYSA-N 425.397 2.655 5 40 IFBB CCOC(=O)N1CCC(NC(=O)/C=C/c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 32906342 ZPBVSJSYODJJNT-SNAWJCMRSA-N 443.403 2.955 5 40 IFBB C[C@H](C(=O)Nc1nnc(-c2ccccc2)s1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222864103 QXBMOVYIWNQOFY-GFCCVEGCSA-N 447.498 2.907 5 40 IFBB O=C(C[C@H]1C(=O)NC(=O)[C@@]12CCCc1cc3c(nc12)CCCC3)Nc1cccc([N+](=O)[O-])c1 585152511 VMCKUUNAMGANSM-UUOWRZLLSA-N 448.479 2.744 5 40 IFBB COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 10358328 DGAORNUCOAZMBH-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13563166 KBQZNKGWZLRXRM-VKJFTORMSA-N 439.346 2.707 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 16124247 MYCIUPVADLAAIC-UHFFFAOYSA-N 439.515 2.879 5 40 IFBB O=C(OC1CCN(c2nncc3ccccc23)CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 72310774 PNECITBVAXYHSH-UHFFFAOYSA-N 445.439 2.945 5 40 IFBB COc1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 408766132 ZQNCJAYLCLLHCF-YBEGLDIGSA-N 429.410 2.993 5 40 IFBB COCCNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860244 FSITWRSODQITDD-UHFFFAOYSA-N 429.484 2.678 5 40 IFBB CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3C4CC5CC(C4)CC3C5)c2)CC1 8818372 BDZMHFIXGXREGK-UHFFFAOYSA-N 434.562 2.913 5 40 IFBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 22906819 NYDHXNGGYKUOQK-JOCHJYFZSA-N 445.479 2.844 5 40 IFBB O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 40079531 LCAAQCZSNDLHOF-HNNXBMFYSA-N 428.876 2.950 5 40 IFBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)o1 108927253 AMHCOOUEBIXCKL-BOPFTXTBSA-N 436.380 2.858 5 40 IFBB O=C(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 15928761 DKYFXPZIUBQEFQ-UHFFFAOYSA-N 425.466 2.895 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 21129520 XGKQVCHAFLAJHW-CHWSQXEVSA-N 445.403 2.666 5 40 IFBB O=C(NCc1ccccn1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 819464 HJWQKCBCLUPBPS-GOSISDBHSA-N 426.816 2.545 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 9703717 SYMPDEXOMCPZPI-LLVKDONJSA-N 434.401 2.813 5 40 IFBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 40161869 FBQIVLLYZICSTI-QGZVFWFLSA-N 433.380 2.869 5 40 IFBB CCCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100481329 HMLYNSHDDHJYNW-SZXQPVLSSA-N 445.479 2.762 5 40 IFBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@@H]32)C1=O 102792246 WOFRBXRXDAHTHO-LGAWVEOZSA-N 426.473 2.619 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 408652747 CUVUVEVSXWTOPT-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB O=C(COC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 408736568 CTKHVRGLFJWCAH-QGZVFWFLSA-N 426.381 2.649 5 40 IFBB O=C(CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1)OCc1ccccc1 2272597 ZHMPDFXEETXOOE-UYRXBGFRSA-N 449.419 2.818 5 40 IFBB C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 8630627 HERATOWANHIDLA-HUUCEWRRSA-N 434.470 2.750 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 9312280 DGYSWVQUMJOIOE-HAGHYFMRSA-N 448.410 2.639 5 40 IFBB O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cccc([N+](=O)[O-])c1 13063178 YCBZBRUPLMDCFO-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@H]3[C@@H]2C1=O 199122404 DGYSWVQUMJOIOE-MUGJNUQGSA-N 448.410 2.639 5 40 IFBB COc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395505 ZVBWOIGINXKBLC-GJZGRUSLSA-N 435.502 2.944 5 40 IFBB Cc1ccc(C)c(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224038647 IHOJQDZENUZDSQ-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(C)c(C)c2)CC1=O 408671018 RSMCTXFDTXDMCT-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB C[C@H](NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C 409131205 KEGCJIZGLMKDTF-ZDUSSCGKSA-N 440.485 2.945 5 40 IFBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccccc1F)C(F)(F)F 15277119 IFNJIROTASUQQI-INIZCTEOSA-N 430.314 2.512 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCCN21 15996104 IHHBCBQHEQVUOZ-CMCWBKRRSA-N 446.463 2.643 5 40 IFBB Cc1c(NC(=O)CCN2CCN(Cc3noc(C(C)(C)C)n3)CC2)cccc1[N+](=O)[O-] 533517422 GATFWPOMYKXRAD-UHFFFAOYSA-N 430.509 2.730 5 40 IFBB CCOC(=O)c1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 13856776 BTSWDBDDRKKMCS-INIZCTEOSA-N 440.408 2.551 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccccc3[N+](=O)[O-])CC2)cc1C 89643259 HTEZHGXSKGNYSR-UHFFFAOYSA-N 449.554 2.837 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101102778 IPLMJBUKTBHWHQ-UHFFFAOYSA-N 449.511 2.775 5 40 IFBB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]42)cc1 14945219 CSHCMAAIBIKRNH-AGMHDLFCSA-N 445.431 2.972 5 40 IFBB O=C(NCCCN1CCCC1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 15421302 GZRFJFHRELIIPO-UHFFFAOYSA-N 442.438 2.959 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)N2CCCc3c(C(N)=O)cccc32)cc1[N+](=O)[O-] 32915646 WPCNREQMLAMQGR-UHFFFAOYSA-N 438.469 2.566 5 40 IFBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NN1C(=O)NC2(CCCCC2)C1=O 12514273 JBQFSDLNQDJZTQ-UHFFFAOYSA-N 443.382 2.702 5 40 IFBB O=C(c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 23379269 ZQAQPPBLRNEOBK-UHFFFAOYSA-N 448.819 2.843 5 40 IFBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1 33608210 BOFMSHYSRYEMQN-UHFFFAOYSA-N 427.442 2.675 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1OC 33706102 YDPLXVXIMGWBKO-CQSZACIVSA-N 449.485 2.651 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@@H]2C(C)=O 103907245 LSBXBYVHMIJRLS-RZXSNQJFSA-N 433.420 2.582 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cc(C)ccc3nc21 16742604 JXRXTZFVIZQIJL-UHFFFAOYSA-N 437.544 2.926 5 40 IFBB COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@H](C)C(=O)O 409241243 SJAPFTDCLWCGNL-YUSFRKCESA-N 441.396 2.548 5 40 IFBB CNC(=O)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 12855673 KEVWBKNKFHLZSG-UHFFFAOYSA-N 429.454 2.939 5 40 IFBB CC(C)[C@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nnc2ccccn12 78729454 PITYYYGLAUJITL-IBGZPJMESA-N 438.444 2.839 5 40 IFBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(Cc4ccncc4)c3nc12 100631397 QWEGCSYNGDIHQC-UHFFFAOYSA-N 428.496 2.553 5 40 IFBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225473095 SKMMZHHVSKKBEI-INIZCTEOSA-N 429.473 2.924 5 40 IFBB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] 12799510 RLKMJKHRRUPKIB-HXUWFJFHSA-N 429.498 2.641 5 40 IFBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCOCC1 26117473 AKUXNOIASKAMEX-UHFFFAOYSA-N 437.499 2.590 5 40 IFBB O=c1ccc2ccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)cc2o1 18056223 LVHMABKQVDKTOG-UHFFFAOYSA-N 432.410 2.514 5 40 IFBB C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 89920284 ANGUKCMMFWUTRM-KBPBESRZSA-N 430.465 2.551 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2C)cc1 100821166 XKNIGQJRVCYTHQ-FMQUCBEESA-N 448.526 2.920 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222527681 VBLHFRRRPLRCJN-SFHVURJKSA-N 449.485 2.955 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 223770687 ILMCNBGJFAAOCA-UHFFFAOYSA-N 439.247 2.886 5 40 IFBB O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 3166961 YTBDEZLOXLVEKH-SFTDATJTSA-N 434.940 2.905 5 40 IFBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 10010526 JSRJJTRNAPSSGJ-UHFFFAOYSA-N 432.864 2.934 5 40 IFBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 16347832 DFDFUWIHLATWQT-UHFFFAOYSA-N 431.499 2.863 5 40 IFBB CCOc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408666846 SWSUSIRVIKIZOO-CQSZACIVSA-N 427.413 2.528 5 40 IFBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 8868259 RDYKOOCAMCNTFS-MRXNPFEDSA-N 438.458 2.585 5 40 IFBB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 33718955 DJEIZBXENMUCKC-NSHDSACASA-N 427.866 2.871 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1 13109622 BCYKTPMMROJWRT-UHFFFAOYSA-N 444.202 2.952 5 40 IFBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 35570616 HRSWXPBHQXZLBK-GRDNDAEWSA-N 441.387 2.569 5 40 IFBB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 59816848 LCOBDVHVBIWIHU-TYNCELHUSA-N 440.460 2.510 5 40 IFBB COC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 222363711 HVPSZSHXVWKFGZ-UHFFFAOYSA-N 449.485 2.875 5 40 IFBB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521952 ZUZGVCZCDUBRDH-MRXNPFEDSA-N 435.458 2.549 5 40 IFBB CCOC(=O)CN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000871 UJKRZBZSNRLRQG-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB O=C(c1cccs1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 8763676 WXAQPJPABGAKLU-XUJVJEKNSA-N 431.417 2.925 5 40 IFBB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 40040541 WQAILTMKRZSTGC-KMFMINBZSA-N 431.445 2.616 5 40 IFBB O=C(O)/C=C/C(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 13576370 CJCAFRQXYYATSM-FDMDGMSGSA-N 441.421 2.598 5 40 IFBB COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c([N+](=O)[O-])c1 40059578 RFISCQNNYNUBQC-UHFFFAOYSA-N 445.497 2.849 5 40 IFBB CCCNC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412864 YZGDNUHOZXEPEJ-CQSZACIVSA-N 448.501 2.528 5 40 IFBB O=C(Nc1cccc(OCCn2cccn2)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 58015457 DLXOSLAJHZZRSO-UHFFFAOYSA-N 437.460 2.619 5 40 IFBB COc1ccc(CCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222361321 RGRJUXKZMSBYDQ-UHFFFAOYSA-N 435.502 2.509 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487059 DGYSWVQUMJOIOE-FYQPLNBISA-N 448.410 2.639 5 40 IFBB CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1[N+](=O)[O-] 8855469 OSJPIBMCUXAFST-UHFFFAOYSA-N 433.486 2.717 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCCC2=O)cc1 9465646 GZSFLQPRJWLCBU-CYBMUJFWSA-N 427.413 2.914 5 40 IFBB O=C(NCCC(=O)N1CCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 10432864 AQNWSPIICBZBPZ-UHFFFAOYSA-N 442.438 2.959 5 40 IFBB CC(C)c1ccccc1OS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] 12871048 MZEAXGMZMQCCTB-UHFFFAOYSA-N 428.488 2.736 5 40 IFBB CC(C)c1nncn1CCNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] 72307662 HBGIINRDMSNDQE-OAHLLOKOSA-N 436.538 2.842 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 103562092 JYQKECMMEZRDPQ-NBYUQASBSA-N 448.410 2.639 5 40 IFBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 9327561 ZHBQGWHTEWDGOM-UHFFFAOYSA-N 425.470 2.937 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14019451 YCOCXLSHKAKJOG-ZDUSSCGKSA-N 437.449 2.782 5 40 IFBB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 22375047 UVRBRCRHRVQOOC-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB NC(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 33026802 YWZQRFWAVPQEKE-CYBMUJFWSA-N 428.411 2.554 5 40 IFBB COc1cccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220416586 DVFNPHLOTBIYFT-OAHLLOKOSA-N 435.502 2.507 5 40 IFBB Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9312973 JQASWFQQWXPFJF-UHFFFAOYSA-N 430.424 2.559 5 40 IFBB COC(=O)[C@@](NNc1ccc([N+](=O)[O-])cc1)(NC(=O)c1ccc(F)cc1)C(F)(F)F 13800981 HWDBEIZXRDLPRR-INIZCTEOSA-N 430.314 2.512 5 40 IFBB CC(=O)NC12C[C@H]3C[C@H](C1)CC(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C)(C3)C2 100993797 RZAQHQXZEGUDNW-TUKZGULFSA-N 429.473 2.860 5 40 IFBB CCOc1ccccc1CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222366799 GILBMMBTYUXCAD-UHFFFAOYSA-N 435.502 2.856 5 40 IFBB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 8723412 JCXRKHGSNRWQTK-UHFFFAOYSA-N 440.481 2.532 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 9312296 JYQKECMMEZRDPQ-FFGOWVMKSA-N 448.410 2.639 5 40 IFBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1 12907151 OPCSARRFYRCCFB-UHFFFAOYSA-N 444.875 2.763 5 40 IFBB CC(C)c1cc(NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)on1 9534265 YXQKRFHESDDVCD-UHFFFAOYSA-N 446.445 2.781 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C)cc1C)S(C)(=O)=O 22367484 AQEIDZISIFSLMV-HNNXBMFYSA-N 435.502 2.864 5 40 IFBB CC(C)C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)O 8926025 OAZZMOWQUNORBD-HJDVLLJCSA-N 425.441 2.981 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc2c(c1)OCCO2 16091106 HRBJNDKTNBHSSO-UHFFFAOYSA-N 427.413 2.762 5 40 IFBB CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1S(=O)(=O)N1CCOCC1 59741987 GKZSTTIOWITPDH-UHFFFAOYSA-N 437.449 2.570 5 40 IFBB O=C(Oc1cccc(N2C(=O)CCCC2=O)c1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408652540 DIBQUWZJXIMZEU-CQSZACIVSA-N 437.408 2.597 5 40 IFBB COc1cccc(C(=O)NCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 13956707 SNNWXLQUYXRNGD-UHFFFAOYSA-N 441.469 2.637 5 40 IFBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 15916570 KHWMQJDRIYENQM-GJZGRUSLSA-N 433.486 2.574 5 40 IFBB O=C(c1ccco1)N1CCN(Cc2cc(=O)c(OCc3ccc([N+](=O)[O-])cc3)co2)CC1 22852828 ABSNDQLBPKSVKY-UHFFFAOYSA-N 439.424 2.678 5 40 IFBB O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 3166956 YTBDEZLOXLVEKH-NHCUHLMSSA-N 434.940 2.905 5 40 IFBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 15882781 CXXUHIZNVCZMJW-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)OCC(=O)Nc2ccc(Cl)cc2)CC1=O 408670510 QTTQKRCWIPZCAW-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 8843235 JYSHPOZBFNJAAJ-CMKMFDCUSA-N 431.404 2.931 5 40 IFBB CCN1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2[N+](=O)[O-])CC1 9086988 HREADDFHXWFAGL-UHFFFAOYSA-N 443.529 2.638 5 40 IFBB Cn1c(CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc(=O)c2ccccc21 9512043 HUFDCEOHTXWDNN-UHFFFAOYSA-N 444.831 2.610 5 40 IFBB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12522606 KTOCLUZEEGJWFJ-UHFFFAOYSA-N 448.426 2.810 5 40 IFBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NCc1ccc2c(c1)OCO2 25356564 LHOWZUFJRYHEOQ-UHFFFAOYSA-N 441.440 2.787 5 40 IFBB C[C@H]1CN(S(=O)(=O)CCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])C[C@H](C)O1 40091250 DSJBVLAVNOLLHT-HOTGVXAUSA-N 447.513 2.677 5 40 IFBB CC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 408670997 RIMBKALNTOEUEY-MRXNPFEDSA-N 439.424 2.641 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3454174 AZJFRZJEFIWRBF-NSHDSACASA-N 444.425 2.612 5 40 IFBB CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCO)cc1 9138220 FEKSCGILUTXOGW-MOSHPQCFSA-N 427.457 2.509 5 40 IFBB Cc1ccccc1CN1CCN(C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)CC1 12793154 NVBLDJLIIUWGFQ-UHFFFAOYSA-N 447.495 2.716 5 40 IFBB Cc1cccc(C)c1OC[C@@H](O)Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21 12848261 AXNBJAVTEGMBJR-SFHVURJKSA-N 438.484 2.962 5 40 IFBB COc1ccc(CCn2ccc3nc4ccn(-c5ccn[nH]5)c(=O)c4cc3c2=O)cc1OC 40399073 XJAHCZPSNXWORT-UHFFFAOYSA-N 443.463 2.684 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)c([N+](=O)[O-])c1 8687825 MZFVOAWLTVMEPG-UHFFFAOYSA-N 448.545 2.961 5 40 IFBB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 9499976 UZNHBVMSCORGCJ-UHFFFAOYSA-N 446.769 2.526 5 40 IFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CC(=O)N(CCc2ccccc2)C1 16045207 YVETXMZJMCENHQ-MRXNPFEDSA-N 426.425 2.596 5 40 IFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(S(=O)(=O)N2CCCC2)cc1 3530283 DECJAAQCWAYFQB-UHFFFAOYSA-N 448.453 2.603 5 40 IFBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CN(c1cccc(C(F)(F)F)c1)CN=2 9090124 AHOCMWZCLBWOJM-PXNMLYILSA-N 434.399 2.720 5 40 IFBB CS(=O)(=O)c1ccc(NCCNC(=O)c2ccccc2C(F)(F)F)c([N+](=O)[O-])c1 9932836 IUNVANSPJQTTMU-UHFFFAOYSA-N 431.392 2.859 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 16347356 ZFWIHQYCFIGJAG-UHFFFAOYSA-N 427.866 2.824 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21 100811389 JZXUSNWXYSUZQC-UHFFFAOYSA-N 445.523 2.528 5 40 IFBB Cc1ccccc1OCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224819798 CASMPBQCUFOYHQ-UHFFFAOYSA-N 435.502 2.645 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)CCc1ccccc1)S(C)(=O)=O 408617911 HRNHAOIZPJTGOT-OAHLLOKOSA-N 435.502 2.507 5 40 IFBB Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2ccnc2C)c2cccc([N+](=O)[O-])c2)cc1 6161743 JZKXRFFJPLLWHE-IBGZPJMESA-N 430.486 2.665 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2)CC1 8398961 OWDVSVLQXYQXRW-UHFFFAOYSA-N 443.460 2.930 5 40 IFBB COc1cccc(NC(=O)CN(C)C(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 12825177 CBBPBEWEAYWQBH-UHFFFAOYSA-N 434.880 2.786 5 40 IFBB CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 58106509 RDWXYQLMFLPTTN-OAHLLOKOSA-N 433.486 2.789 5 40 IFBB CN(C)C(=O)[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1ccccc1 12927083 XEQPOEWVMKXGMR-LJQANCHMSA-N 427.413 2.656 5 40 IFBB COCCNC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 18188357 VIQJFZZHQHBWPU-UHFFFAOYSA-N 433.486 2.929 5 40 IFBB COc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12 102707487 ZUGSKSUVRQAMHQ-GUDVDZBRSA-N 442.859 2.792 5 40 IFBB Cn1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2nc(O)n(-c3ccc(F)cc3)c(=O)c21 9659674 JITCIWHAOIUMOU-UHFFFAOYSA-N 441.350 2.869 5 40 IFBB CNc1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 19049978 GRPPLHQOFALYKX-UHFFFAOYSA-N 428.445 2.507 5 40 IFBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1cccc([N+](=O)[O-])c1 22906823 NYDHXNGGYKUOQK-QFIPXVFZSA-N 445.479 2.844 5 40 IFBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccc(F)cc1F 32810152 HMKFPCDUWMZGHB-UHFFFAOYSA-N 429.383 2.822 5 40 IFBB C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 89920282 ANGUKCMMFWUTRM-UONOGXRCSA-N 430.465 2.551 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N\C(=O)C(C)(C)C 103911617 RMEVQBRYRFDGQM-QOMWVZHYSA-N 448.479 2.941 5 40 IFBB Cc1ccc(SCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220404420 FMCYLNZOVIKPAZ-OAHLLOKOSA-N 437.543 2.966 5 40 IFBB CCc1ccc(CC)c(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 225869543 QVLSAXZGDHOLMG-UHFFFAOYSA-N 449.529 2.811 5 40 IFBB COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408666230 XQIRQOXICJNZCB-UHFFFAOYSA-N 443.412 2.590 5 40 IFBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 8824991 WECJSJNUSIOYBL-UHFFFAOYSA-N 429.429 2.619 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cnc(-c2ccccc2)nc1 31784704 JPPQCLXPKGUJQW-UHFFFAOYSA-N 442.453 2.865 5 40 IFBB COc1c2c(cc3c1[C@H](Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])N(C)CC3)OCO2 70672291 JLAHHIWZGARIGP-HNNXBMFYSA-N 446.372 2.920 5 40 IFBB biogenic COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224762612 UHHVFIHVRMFCRU-UHFFFAOYSA-N 444.849 2.634 5 40 IFBB O=C(COC(=O)c1ccc(I)cc1)Nc1ccc([N+](=O)[O-])cc1 9441492 JCFYITWSWWRXAB-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269624 NHGALNIQKQUYEO-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1F 33653642 GIEFJKBWWSHGHS-SOFGYWHQSA-N 427.344 2.921 5 40 IFBB COCCNC(=O)C1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 40051566 JVAHCDDHAZRKLP-UHFFFAOYSA-N 426.473 2.953 5 40 IFBB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408661216 DYDPXNURLJXSON-UHFFFAOYSA-N 442.428 2.844 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 409217077 RHUGGDUKLBCQHE-ZDLGFXPLSA-N 439.449 2.922 5 40 IFBB CCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9805418 BAVJLIWCIZFMKZ-UHFFFAOYSA-N 441.893 2.897 5 40 IFBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 35570618 HRSWXPBHQXZLBK-JKIFEVAISA-N 441.387 2.569 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 408582997 QNXIEHUYPIVZKY-UHFFFAOYSA-N 434.202 2.534 5 40 IFBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1 9425364 UUSNBSMRAJIOCF-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB Cn1ccnc1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(F)c1 29081141 NLAYRDVASOUJJZ-FQEVSTJZSA-N 439.447 2.823 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 408656084 IJBPUFUXBQIORA-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4008882 HMXCSNDPAQCORK-RWFYYTQISA-N 446.415 2.946 5 40 IFBB O=C1CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc2N1 9120512 ONDWFEIEASWIAH-UHFFFAOYSA-N 438.440 2.727 5 40 IFBB CCOc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)N1CCOCC1 11441945 YLNQJHPQJFSWCR-UHFFFAOYSA-N 444.440 2.588 5 40 IFBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])Nc1cc(F)ccc1F 12645038 BVLXYIGVSOIBFZ-UHFFFAOYSA-N 441.412 2.675 5 40 IFBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 36673300 VQWVWCTZICQCTI-INIZCTEOSA-N 445.501 2.895 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 220417881 AZLZKWZNKHEGHF-CQSZACIVSA-N 449.485 2.873 5 40 IFBB O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 3178932 UHBFQKRQNSHARN-RTWAWAEBSA-N 429.493 2.923 5 40 IFBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cc1OC 12262482 KTKOFCGMPQGOEX-UHFFFAOYSA-N 435.458 2.794 5 40 IFBB C[C@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 12882703 YVFSJPFJWHAWLB-QFYYESIMSA-N 433.804 2.908 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)C(=O)c2cc(Br)ccc21 14137315 MGOXIHLUPHETAN-UHFFFAOYSA-N 434.202 2.534 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1 408676202 ALLMSQFDZHQZFE-LRGYGIHKSA-N 447.447 2.866 5 40 IFBB COCCn1c(SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])nc2ccccc2c1=O 9128312 RNMSQSWGDHGJGH-UHFFFAOYSA-N 428.470 2.990 5 40 IFBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCNC(=O)C2CC2)c([N+](=O)[O-])c1 25347116 BENKHSQDYNOTNO-UHFFFAOYSA-N 432.502 2.748 5 40 IFBB CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 39976101 NTYYYMHNGZDMBU-UHFFFAOYSA-N 438.444 2.675 5 40 IFBB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9572804 QYODGKJVVCOCPA-MRXNPFEDSA-N 443.891 2.885 5 40 IFBB CCn1cnnc1[C@@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 95394799 CKFAPQTVPKKVFS-LLVKDONJSA-N 433.412 2.884 5 40 IFBB CNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222827503 OOXSHMIPFGMSPT-OAHLLOKOSA-N 431.514 3.000 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Br)c1 409027878 UTGVGHPIJZAQAR-UHFFFAOYSA-N 428.264 2.762 5 40 IFBB CCOc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 2648503 BMMKLORZDAJYSA-ZDUSSCGKSA-N 437.474 2.795 5 40 IFBB C[C@H](NC(=O)[C@@H](C)OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 9509133 ICWFIDFSFIQPBD-UONOGXRCSA-N 431.420 2.663 5 40 IFBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 13304903 ZKGCGWWWGXLYKC-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 20107577 YCPQFMPEAWUJGS-UHFFFAOYSA-N 439.877 2.663 5 40 IFBB CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 97141128 WIBUOVLDPXJTIP-OAHLLOKOSA-N 440.508 2.788 5 40 IFBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1[N+](=O)[O-] 107597252 IPNFCEZUCFPDAW-UHFFFAOYSA-N 449.876 2.993 5 40 IFBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409138960 KMZQHBRIETZCPQ-VGOFMYFVSA-N 431.382 2.912 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)Nc1cccc([N+](=O)[O-])c1C 9227447 ASXMUPBZSPUTMO-UHFFFAOYSA-N 427.866 2.824 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1 23990893 USLNVJDLHADMQL-GFCCVEGCSA-N 443.428 2.958 5 40 IFBB O=C(O)CC[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 408603956 CIDYKOXSBVINQH-IBGZPJMESA-N 442.428 2.867 5 40 IFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3O)C2=O)cc1 409242972 XEDCKTJHLBWYFU-OQLLNIDSSA-N 429.410 2.984 5 40 IFBB CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1ccc([N+](=O)[O-])cc1 2724042 XKQYKPBMQILDST-UHFFFAOYSA-N 447.498 2.822 5 40 IFBB COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)cc1 11758677 DJXMTQHUDVPEMO-UHFFFAOYSA-N 437.441 2.858 5 40 IFBB CS(=O)(=O)c1ccc(NCCNC(=O)c2sccc2-n2cccc2)c([N+](=O)[O-])c1 12596971 DFLKNVDFOQQHBA-UHFFFAOYSA-N 434.499 2.692 5 40 IFBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269633 QRDSTWFCPFXHOA-UHFFFAOYSA-N 449.420 2.606 5 40 IFBB COc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23106231 OLVPKYNYJXCWCW-GOSISDBHSA-N 433.436 2.554 5 40 IFBB Cc1c(Cl)cc(S(=O)(=O)NCCNc2ncnc3sccc23)cc1[N+](=O)[O-] 40105340 ITDCMVCPQQPGQJ-UHFFFAOYSA-N 427.895 2.952 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 408573800 OISSFOUQQIULAD-UHFFFAOYSA-N 443.456 2.751 5 40 IFBB CSCC[C@@H](NC(=O)c1ccco1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3443924 MOJCYRGQWXCGJX-OAHLLOKOSA-N 436.442 2.649 5 40 IFBB CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 9218611 UDGZBLONMJNIOF-UHFFFAOYSA-N 437.474 2.651 5 40 IFBB O=C([C@@H]1COc2ccccc2O1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 10166309 PGDPSAPXUNSTFH-KRWDZBQOSA-N 426.454 2.693 5 40 IFBB COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C(C)C)c2=N)cc1 101161485 STGCWQRIRRQADT-UHFFFAOYSA-N 445.523 2.999 5 40 IFBB COc1ccc(CCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220416737 HHNYIEMADSHGKQ-OAHLLOKOSA-N 435.502 2.507 5 40 IFBB COc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1 408649875 LRCRBHKHGZYDHR-AWEZNQCLSA-N 439.424 2.771 5 40 IFBB COc1cc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)C(=O)O 13546673 ABTQOHCFRSCRRV-RGZVIEDOSA-N 441.396 2.548 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(N1C(=O)c3ccccc3C1=O)C2=O 13955004 XDMLFJULIFNDIE-UHFFFAOYSA-N 441.355 2.633 5 40 IFBB C[C@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@H](C)O1 22357670 XPOBYISAESMNLF-GJZGRUSLSA-N 442.582 2.971 5 40 IFBB COc1cc(N(CC(=O)O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl 224791036 HHWIMUFVMVPCBM-UHFFFAOYSA-N 444.849 2.854 5 40 IFBB COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Br 408567800 RJAJBISPEUTTND-OYYNGEPBSA-N 432.274 2.980 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 408681707 IHGNBOWEGCZXMZ-CALCHBBNSA-N 433.420 2.786 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)/C=C/c1ccccc1 9634412 XTQIIKVCUJWGLU-GFLNRVGBSA-N 428.448 2.504 5 40 IFBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1C 12794316 YGSNUJVQNUBLEB-UHFFFAOYSA-N 431.514 2.653 5 40 IFBB CN(C)c1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12822923 PCLBLJKFBOZCSU-UHFFFAOYSA-N 446.529 2.765 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCCN21 16000209 XXWJWFMHFBTDCO-UAKAABGRSA-N 446.463 2.643 5 40 IFBB Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCC(=O)NC2CCCC2)n1-c1ccccc1 12427689 XKXMZVUNDCRRRU-UHFFFAOYSA-N 441.517 2.880 5 40 IFBB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]3C2=O)[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]42)cc1 14945186 KDZGOUZYBVKMTF-XCHJYWCCSA-N 433.420 2.778 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811339 WSMXFITUTKEFIS-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB CCOc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 408666845 SWSUSIRVIKIZOO-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 16320852 ZCMKNFBZKIAPFT-BJMVGYQFSA-N 443.510 2.954 5 40 IFBB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 58006250 MRZRKKPBZUNNDY-UHFFFAOYSA-N 441.893 2.500 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@H]4[C@@H]3C2=O)c(C)c1 253487082 DLBRFBSADBVILO-TUFLPTIASA-N 444.447 2.809 5 40 IFBB CC[C@H](C(=O)NCCCN(C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260507738 ODEWQHGPTGQXRB-HXUWFJFHSA-N 448.545 2.782 5 40 IFBB CCCNC(=O)[C@@H]1CN(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c2ccccc2O1 12565040 NYWRRPKSEREPLB-FQEVSTJZSA-N 426.473 2.944 5 40 IFBB CC(C)n1nccc1NC(=O)[C@H](C)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 97141129 WIBUOVLDPXJTIP-HNNXBMFYSA-N 440.508 2.788 5 40 IFBB CCCCCn1c(=N)c(C(=O)NCCCOCC)cc2c(=O)n3cccc(C)c3nc21 100851716 ILNPZFVFWNEYPS-UHFFFAOYSA-N 425.533 2.784 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16009829 YUSCMPHGYDSGAM-UAKAABGRSA-N 446.463 2.643 5 40 IFBB NC(=O)c1ccc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c([N+](=O)[O-])c1 25252135 JEXKITPYLDEGMP-UHFFFAOYSA-N 432.502 2.871 5 40 IFBB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)C1=O 409200863 JUMOLONDFFOZLZ-GDNBJRDFSA-N 437.474 2.994 5 40 IFBB CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C(=O)c1ccc([N+](=O)[O-])cc1 10382241 BUFGQFDCMDGPGK-UHFFFAOYSA-N 425.422 2.799 5 40 IFBB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cn2)n1 40090340 UHONQBRCFILLJK-CQSZACIVSA-N 438.419 2.923 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220381142 WWOGXJIMZLXHJR-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCNc3ccccc3[N+](=O)[O-])CC2)cc1 17369853 CYLUOQRWDWYYDQ-UHFFFAOYSA-N 446.529 2.532 5 40 IFBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 21177103 CJBSCRBHVMLTJI-CQSZACIVSA-N 431.420 2.605 5 40 IFBB Cc1c([N+](=O)[O-])c([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 100520452 OXNAJSXLASVVEL-UHFFFAOYSA-N 443.332 2.742 5 40 IFBB CCCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103001474 ABFXQTSBKMRZGX-MEFGMAGPSA-N 445.479 2.762 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSC1CCCC1)S(C)(=O)=O 260793167 GYQRZONIMLXPLS-CQSZACIVSA-N 429.564 2.850 5 40 IFBB COc1ccc(OC)c(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 408663202 MEFSVTPKXDIKLC-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB CC(C)OCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409312008 JECQZMPGUJGLIM-UHFFFAOYSA-N 435.502 2.721 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1 9714654 NJICTOOEUDHISM-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB CNc1ccc(C(=O)O[C@@H](C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 16696520 OGOYXOJRZSHNPP-INIZCTEOSA-N 426.473 2.526 5 40 IFBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(OC)c5)c(=O)c4cc3c2=O)n1 40398940 MGTBAHUELFCVJX-UHFFFAOYSA-N 446.492 2.929 5 40 IFBB CC(C)C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 95464295 FNORDINSODDLOA-WBVHZDCISA-N 427.523 2.621 5 40 IFBB CC[C@@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526854 GWQYAZPXRBTKGJ-IBGZPJMESA-N 435.502 2.643 5 40 IFBB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757729 HLXYXVLPWSWTHD-UHFFFAOYSA-N 433.211 2.776 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc(SC)cc1 225525684 ZBZQAHRDLDFLHB-UHFFFAOYSA-N 425.488 2.585 5 40 IFBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 409213511 PLFLUXXOXNLRHT-SXGWCWSVSA-N 429.410 2.984 5 40 IFBB COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl 33718954 DJEIZBXENMUCKC-LLVKDONJSA-N 427.866 2.871 5 40 IFBB CC(C)c1ccc(CN2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 39969501 JNOWSHHOVPTHOR-UHFFFAOYSA-N 438.484 2.971 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccnc1 101122296 KEJYXOMTLAKQLU-MEFGMAGPSA-N 445.479 2.618 5 40 IFBB O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 9403198 QOPAUYIGHHPNDF-UHFFFAOYSA-N 426.834 2.594 5 40 IFBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@@]21O 13374580 ICLRNDIRYAEKCT-JTHBVZDNSA-N 426.421 2.814 5 40 IFBB biogenic,in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 14022867 RAZIHHUVHJJIKY-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB CC[C@@H]1CCCCN1c1nc(=O)c2c([nH]1)NC(=O)C[C@H]2C(=O)Nc1ccccc1[N+](=O)[O-] 139115743 IYRIBJQGEJMMKT-CHWSQXEVSA-N 440.460 2.512 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 9668807 TUFCAGLBHGVVMD-UHFFFAOYSA-N 439.515 2.960 5 40 IFBB COc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c([N+](=O)[O-])c(OC)c1OC 25202163 UOCBDUFZQKKMST-UHFFFAOYSA-N 426.328 2.694 5 40 IFBB COc1ccc(S(=O)(=O)N2CCN(CCSc3ccccc3)CC2)c([N+](=O)[O-])c1 32932883 WTDVYIRKNCQHAJ-UHFFFAOYSA-N 437.543 2.702 5 40 IFBB Cc1ccc(C(=O)NCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 9403517 GLYQFCSACXADQI-JTQLQIEISA-N 425.850 2.918 5 40 IFBB O=C(NCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 12492279 ZGIMEYAWIAYUCG-UHFFFAOYSA-N 427.200 2.970 5 40 IFBB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16385712 FDGGCKCARGDFJJ-UHFFFAOYSA-N 436.877 2.917 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN([C@@H]2CCSC2)CC1 79076594 FFOSTKCOZKDUTP-LLVKDONJSA-N 425.454 2.516 5 40 IFBB Cc1nn(CCNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(C)c1Br 2796699 CAMXTOSIDRTZJB-UHFFFAOYSA-N 447.293 2.845 5 40 IFBB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(cc(=O)[nH]c2=S)N1 8439380 NFCFJIGYTLIIAL-SGTLLEGYSA-N 444.469 2.825 5 40 IFBB CC(C)N1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C(=O)NC1=S 9409474 CAWPIMQXEPMBLE-XMSQKQJNSA-N 438.509 2.967 5 40 IFBB COc1cc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23105777 XVWGJTUDYRVYAP-IBGZPJMESA-N 429.473 2.724 5 40 IFBB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cn1ccc([N+](=O)[O-])n1 36396905 BNPMKTQOHZZSLM-UHFFFAOYSA-N 425.401 2.700 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C3CCCC3)c(=O)n2c1 100810900 TXXYGOCIBPSYIG-UHFFFAOYSA-N 428.496 2.877 5 40 IFBB CC(C)(C)NC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 408630365 SJQVSACEVIJCSI-UHFFFAOYSA-N 448.501 2.528 5 40 IFBB Cc1[nH]nc2c1[C@@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccccc4[N+](=O)[O-])nc13)O2 17096388 FUBQEBYHJHEBEX-OAHLLOKOSA-N 429.400 2.750 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 95469699 KORNROOTEAWXKL-UHFFFAOYSA-N 449.920 2.711 5 40 IFBB Cn1c(=S)n(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21 13097614 SHLIRWQLXFOGLQ-UHFFFAOYSA-N 447.542 2.581 5 40 IFBB O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(Cc3nnnn3C3CC3)CC2)s1 40120740 UQZXDQSZXDMUFY-UHFFFAOYSA-N 425.518 2.963 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc2c(c1)OCO2)S(C)(=O)=O 408704781 SURMHMJNIXKIAS-UHFFFAOYSA-N 435.458 2.817 5 40 IFBB COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] 1562004304 RNKUMQIYGNZHBI-ZDUSSCGKSA-N 449.551 2.611 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])c1 9128427 ZPMAPDFAIRVZSB-UHFFFAOYSA-N 443.428 2.921 5 40 IFBB CCCCN1C(=O)c2ccc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2C1=O 9439108 LCHMKBYWNXFPHO-UHFFFAOYSA-N 436.468 2.953 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(Cl)cc1 9634418 DCWHXWOYFIITOG-PLRJNAJWSA-N 436.855 2.757 5 40 IFBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 13098073 KLRTYJYZFHJWEE-AWEZNQCLSA-N 449.485 2.646 5 40 IFBB C[C@H]1C[C@@H](C)CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 13778852 BJMIJVCIZPEMOH-CALCHBBNSA-N 425.537 2.772 5 40 IFBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 58778537 PZWYDZBCOGHVAV-VIFPVBQESA-N 428.228 2.727 5 40 IFBB CCOc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17096893 NNDQPGCPLSJVEE-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB Cc1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)c3ccc(Cl)cc32)ccc1[N+](=O)[O-] 84101519 QRSCXNDHKDKTBD-AWEZNQCLSA-N 430.891 2.754 5 40 IFBB O=C(C[C@@H]1C(=O)NC(=O)[C@]12CCCc1cc3c(nc12)CCCC3)Nc1cccc([N+](=O)[O-])c1 585152508 VMCKUUNAMGANSM-HOYKHHGWSA-N 448.479 2.744 5 40 IFBB CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 4121702 WDXCNBRCSXMWJW-UHFFFAOYSA-N 441.513 2.780 5 40 IFBB Cc1sc2nc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9631240 XJOVAMLJCXRZES-UHFFFAOYSA-N 444.469 2.703 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 14075589 RMCUYKGCAOEGCK-ZDUSSCGKSA-N 440.412 2.982 5 40 IFBB O=C(CN1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3)OCC(=O)c1ccc([N+](=O)[O-])cc1 15162578 LBUKCNWSPYOVSJ-UHFFFAOYSA-N 444.399 2.869 5 40 IFBB CCOc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 17096903 HFBFFDQAXHCENI-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)n1 20048278 YOLBUGCZMMCBRL-UHFFFAOYSA-N 441.469 2.984 5 40 IFBB CS(=O)(=O)c1ccc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])c1 89490042 MYJKMRTVGDQPFJ-UHFFFAOYSA-N 430.408 2.739 5 40 IFBB C[C@H](C(=O)NCCSC1CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220408865 UBTFLFRESNGPQJ-CQSZACIVSA-N 429.564 2.931 5 40 IFBB Cc1ccc(C)c(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c1 9210753 GVGCGLLOZXIRKB-UHFFFAOYSA-N 444.451 2.868 5 40 IFBB COc1ccc(COn2c(=O)c(-c3cccc([N+](=O)[O-])c3)[n+]([O-])c3ccccc32)cc1OC 9312886 QDSHNIPWCHJALX-UHFFFAOYSA-N 449.419 2.856 5 40 IFBB COc1cc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2N)c(C)cc1[N+](=O)[O-] 9373548 DADKLRFDKROWBP-UHFFFAOYSA-N 428.474 2.923 5 40 IFBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 9906166 WSGFJEFLWCNABY-UHFFFAOYSA-N 440.456 2.611 5 40 IFBB COc1cc(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc([N+](=O)[O-])c1O 409218145 YXIBMEGTKDHZMU-NVNXTCNLSA-N 437.474 2.991 5 40 IFBB O=C(COC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1cccc([N+](=O)[O-])c1 3362308 TUIZHEGNXPSGCC-UHFFFAOYSA-N 438.392 2.751 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 9631175 LOZCYQFASURSGO-CQSZACIVSA-N 449.485 2.809 5 40 IFBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 14019344 MBBGQXBAXRROEG-LBPRGKRZSA-N 437.499 2.915 5 40 IFBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 79063996 SPAOZLMYTJCDIQ-IRXDYDNUSA-N 432.502 2.876 5 40 IFBB C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 38828430 LCOBDVHVBIWIHU-HUBLWGQQSA-N 440.460 2.510 5 40 IFBB COCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 101158535 DLOXHXPESJXEMH-UHFFFAOYSA-N 445.523 2.712 5 40 IFBB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422981 YALUAKKRCDMBFY-HOTGVXAUSA-N 435.502 2.641 5 40 IFBB O=C(O)COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409358139 KEUJWTGGDJPUIX-RQZCQDPDSA-N 442.405 2.977 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1ccc(OCC)cc1 17721285 ZILLBURBGYJDHZ-QLYXXIJNSA-N 446.463 2.503 5 40 IFBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])ccc12 9714185 CDIMSTSOCNKSPQ-UHFFFAOYSA-N 446.437 2.823 5 40 IFBB C[C@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 2623853 WIIKYIZXEJRMRR-NSHDSACASA-N 439.346 2.914 5 40 IFBB Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@@H](C(C)(C)C)C3 2778094 MKQRDMBRWCDNMY-LLVKDONJSA-N 444.517 2.943 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(O)C(F)(F)F 8763679 KOBVYOOJDQINFH-YWPYICTPSA-N 431.417 2.925 5 40 IFBB COc1cc(OC)cc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3cc([N+](=O)[O-])ccc3Cl)s2)c1 105632111 ZBUDUZRDQIOKDT-IECKAUOHSA-N 446.868 2.507 5 40 IFBB COc1cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2C)c([N+](=O)[O-])cc1OC 9569140 GQXXMIPVKYBYBH-UHFFFAOYSA-N 435.458 2.713 5 40 IFBB CS(=O)(=O)N(CC(=O)NCCSCc1ccccc1F)c1cccc([N+](=O)[O-])c1 10281202 ZIROWZNFAZBZQK-UHFFFAOYSA-N 441.506 2.550 5 40 IFBB CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 10751488 BFEJSLVTRJIVRN-UHFFFAOYSA-N 447.513 2.885 5 40 IFBB COCc1nc(OC)c2c(C)c(C(=O)N[C@H]3CCc4ncc([N+](=O)[O-])cc4C3)sc2n1 95996810 ZDQJTPPIMPHHFF-LBPRGKRZSA-N 443.485 2.745 5 40 IFBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1 3287589 QDVAUTJCKAIOFP-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB Cc1ccc(S(=O)(=O)CCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 32636246 RLUXKTBGMORJCA-UHFFFAOYSA-N 431.426 2.860 5 40 IFBB O=[N+]([O-])[C@@H]1[C@H]2C[C@@](O)([C@H]3OC[C@H]2O3)[C@H]([N+](=O)[O-])[C@@H]1c1c2ccccc2cc2ccccc12 247713213 LLLJJWPPOSOWRF-VNJAJDIYSA-N 436.420 2.873 5 40 IFBB Cc1nnc(SCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)s1 8854744 DMQSLYBEIBBNTN-UHFFFAOYSA-N 436.544 2.805 5 40 IFBB O=C1NC(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12 9122847 DGZOVTGIRHWQLK-XMSQKQJNSA-N 436.493 2.944 5 40 IFBB COc1cc(COC(=O)c2ccccc2S(C)(=O)=O)c([N+](=O)[O-])cc1OC(F)F 24908889 YBOJHCCLTQDCRW-UHFFFAOYSA-N 431.369 2.965 5 40 IFBB N=C(N)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(=N)N)c3)c([N+](=O)[O-])c2)c1 1569499 NLSXXBMIGVTGFZ-UHFFFAOYSA-N 445.439 2.668 5 40 IFBB CCc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1 9185432 XSCXNOBTKZPOEL-SFHVURJKSA-N 432.498 2.752 5 40 IFBB O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(Br)cc1Br 9465686 KXUKGSMBYHLDDU-UHFFFAOYSA-N 431.040 2.920 5 40 IFBB C[C@H]1CCC[C@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 38828492 VAFJVBLMCARFIL-HUBLWGQQSA-N 440.460 2.510 5 40 IFBB CC(C)N1CCC(N2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)CC1 95429810 LHAYPCNVHUWKTA-UHFFFAOYSA-N 429.565 2.826 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113888720 BIMQXUHDDUDINL-UHFFFAOYSA-N 429.794 2.525 5 40 IFBB CCN(CC)CCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 199408198 KWOGCKKJSISQRT-IBGZPJMESA-N 448.907 2.682 5 40 IFBB CC[C@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547570 WZJMBHJRUPPADM-QGZVFWFLSA-N 449.485 2.989 5 40 IFBB CCCCn1c(N)c(N(CCC(C)C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)[nH]c1=O 13041221 NJMKIGHAFDOJGZ-UHFFFAOYSA-N 431.493 2.828 5 40 IFBB COCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 13464949 CYSBJHDLHGYAGH-KRWDZBQOSA-N 445.523 2.965 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 20802065 ZYBSJQKINYWSSO-RTBURBONSA-N 438.440 2.706 5 40 IFBB CC(C)[C@@H](C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)N1C(=O)c2ccccc2C1=O 3296902 MPEQHZBDLYADFV-SFHVURJKSA-N 440.408 2.825 5 40 IFBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2ccc([N+](=O)[O-])cc2)c1 9667267 BLAHAWKZKFIJPL-SFHVURJKSA-N 437.416 2.526 5 40 IFBB CC(C)(CNC(=O)COc1ccc([N+](=O)[O-])cc1Cc1ccccc1)N1CCOCC1 12916917 SHILQFAUVAHEBO-UHFFFAOYSA-N 427.501 2.791 5 40 IFBB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c(C)n1Cc1ccccc1Cl 27053693 JMUYIQKOBUCVLM-UHFFFAOYSA-N 442.859 2.858 5 40 IFBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)cc1 32932543 UGAGLAKWEYVSNI-OAQYLSRUSA-N 437.500 2.833 5 40 IFBB COc1cc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)ccc1[N+](=O)[O-] 408551231 GUMDHBGNLUBGAA-UHFFFAOYSA-N 434.202 2.534 5 40 IFBB C[C@@H](OC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3552756 BJNABYUCRBAODJ-SNVBAGLBSA-N 428.369 2.775 5 40 IFBB O=C(N=P(c1ccccc1)(N1CCOCC1)N1CCOCC1)c1ccccc1[N+](=O)[O-] 9086711 SYWHVUIIUHUQMJ-UHFFFAOYSA-N 444.428 2.756 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1N1CCC[C@H](O)C1 23990894 USLNVJDLHADMQL-LBPRGKRZSA-N 443.428 2.958 5 40 IFBB CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 2346515 MUDFLOGWSRAWHE-YDLHNXBPSA-N 446.463 2.588 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3ccccc3Cl)c([N+](=O)[O-])c2)CC1 12556445 JYEWNATYVWYTEH-UHFFFAOYSA-N 438.937 2.821 5 40 IFBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)NCc1nnc2ccc(C(F)(F)F)cn12 14678702 CLRVTTXYAFBMPX-DAFODLJHSA-N 435.318 2.715 5 40 IFBB COc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-] 2731310 ZMXGVSYWYUHQLV-UHFFFAOYSA-N 426.462 2.883 5 40 IFBB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc([N+](=O)[O-])cc2c1OCOC2 15452627 NDYSAQHISOWHRR-UHFFFAOYSA-N 429.429 2.693 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCSCc1ccco1)S(C)(=O)=O 220386706 OGKWVDYCHQXKQZ-CQSZACIVSA-N 441.531 2.700 5 40 IFBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1 2781073 DWJSQNXJRXFMQW-UHFFFAOYSA-N 430.293 2.760 5 40 IFBB C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9416763 QQSKBTGGBUUMRR-QGZVFWFLSA-N 446.529 2.632 5 40 IFBB Cc1c(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(=O)n(-c2ccccc2)n1C 9908256 GZGHNSHSXYROIF-UHFFFAOYSA-N 438.469 3.000 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 40400489 HVRUGPKJVTYOSP-OAHLLOKOSA-N 434.412 2.795 5 40 IFBB COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 100946699 ZUGSKSUVRQAMHQ-QYZOEREBSA-N 442.859 2.792 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102815901 DFFPYYJAFMBLNB-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220401901 PDIOPNYLUMOCMX-ZDUSSCGKSA-N 435.458 2.565 5 40 IFBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 15576590 JGCHAOURRPMAQV-UHFFFAOYSA-N 447.492 2.681 5 40 IFBB COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2N2CCCN12 100946702 ZUGSKSUVRQAMHQ-OTWHNJEPSA-N 442.859 2.792 5 40 IFBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 676185 CPOWGNCVFLRZPO-UHFFFAOYSA-N 435.849 2.884 5 40 IFBB Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCCN21 9359825 MJFBFVYLUHLRPZ-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB CNc1ccc(C(=O)c2ccccc2C(=O)NCCc2nnc3ccccn23)cc1[N+](=O)[O-] 12521757 WANGUIRSZUPITC-UHFFFAOYSA-N 444.451 2.883 5 40 IFBB CN(C)c1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12631776 WDWYYALEGUINDG-UHFFFAOYSA-N 446.529 2.765 5 40 IFBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269642 ZHAMSEDDDFSXAS-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB COc1cc(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 25210627 FJMNDDRWPZPWEF-UHFFFAOYSA-N 431.420 2.786 5 40 IFBB CCOC(=O)COc1ccc(Br)cc1/C=C\c1nc(O)nc(O)c1[N+](=O)[O-] 30840522 GKTPRSDDXINVGQ-HYXAFXHYSA-N 440.206 2.671 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2ccc(C)cc2C)CC1=O 408665471 FKWLMJFYSMUUJL-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 95464835 OZTLRNJMDILQQN-LJQANCHMSA-N 432.820 2.668 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cccc(Cl)c2)CC1=O 408672364 WCOWYNYMYKZKAC-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CNC(=O)c2ccccc2)n1C 409152089 AEQHOYNTTZGNOL-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 89646988 LIDXLFMRYRCPJH-UHFFFAOYSA-N 439.515 2.879 5 40 IFBB CCN(CC)C(=O)CCC1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)CC1 97083379 KYKZKKWCOVUUGB-UHFFFAOYSA-N 428.489 2.937 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 100550335 OQSRFMYRDIDCDV-SNHGZMDHSA-N 446.415 2.946 5 40 IFBB CCCSc1nnc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 224997471 LFZIDZFRUWWKSI-UHFFFAOYSA-N 445.548 2.662 5 40 IFBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCCC2)Nc1ccc([N+](=O)[O-])cc1 10255533 LTFNFCFUSUEYGA-INIZCTEOSA-N 444.513 2.940 5 40 IFBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 13892113 HVFPGQWLEVNWOQ-NYYWCZLTSA-N 425.426 2.838 5 40 IFBB CC(=O)Nc1nnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)s1 15391424 RCEQCZXADREAQX-UHFFFAOYSA-N 448.438 2.869 5 40 IFBB CCOc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 44842504 HGRJEXVUERWNQO-OAHLLOKOSA-N 435.502 2.945 5 40 IFBB COc1ccc(NC(=O)CCN2CCC(C(=O)Nc3cccnc3)CC2)c([N+](=O)[O-])c1 79111140 DJJZFUSSMDCLHE-UHFFFAOYSA-N 427.461 2.678 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccco1 101176663 ZGWZBRKZMLCRST-QQTULTPQSA-N 434.452 2.816 5 40 IFBB COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 105394468 KQMXJPOVWMJZSK-UHFFFAOYSA-N 447.360 2.509 5 40 IFBB COc1ccc2c(COC(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])cc(=O)oc2c1 16318940 JPIVOSXKUXBCQQ-UHFFFAOYSA-N 440.408 2.903 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H]1CCCc2c1cnn2CCO 32932674 FNROZMXBERVFOJ-GFCCVEGCSA-N 434.396 2.567 5 40 IFBB CCOCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95682024 PXAYOHHGLLRQBN-UHFFFAOYSA-N 431.313 2.816 5 40 IFBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]2[C@@]2(C)C[C@H]3CC(C)(C)C2)C1=O 101409063 WOFRBXRXDAHTHO-BJNINDPKSA-N 426.473 2.619 5 40 IFBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 13138033 ICWFIDFSFIQPBD-KBPBESRZSA-N 431.420 2.663 5 40 IFBB O=C1COc2cc(C(=O)Oc3cc([N+](=O)[O-])ccc3I)ccc2N1 97166027 LDCAONLENUUHBV-UHFFFAOYSA-N 440.149 2.750 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041035 GRHWBALMUYOACQ-UHFFFAOYSA-N 429.794 2.525 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCc1c[nH]c2ccccc12 8780138 CONYOAKWRYDMSR-UHFFFAOYSA-N 430.486 2.752 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=CC=C[C@H]21 9428317 ALIPBAZNQJSQLD-AFYVEPGGSA-N 430.420 2.500 5 40 IFBB CCOc1ccc(CN(C)C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)cc1 12554866 LCFPLQMBVUQUKA-UHFFFAOYSA-N 440.500 2.934 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NCc4ccccc4)c(=N)n3C[C@H]3CCCO3)c(=O)n2c1 15952819 LOEUXBUATRGTDE-GOSISDBHSA-N 443.507 2.546 5 40 IFBB COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 58778540 PZWYDZBCOGHVAV-SECBINFHSA-N 428.228 2.727 5 40 IFBB COc1cc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)c([N+](=O)[O-])c(OC)c1OC 95448130 VTXLHNQGFLTVGN-ZDUSSCGKSA-N 428.800 2.877 5 40 IFBB COc1ccc(-c2nnc(CN(C)C(=O)COc3ccc([N+](=O)[O-])cc3)o2)cc1OC 408714427 QLVHTACSNMJZCJ-UHFFFAOYSA-N 428.401 2.699 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1 9714617 MJQDNMUTBKUFKF-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)n1C(C)C 12757106 URRNHVOXDRDYSX-UHFFFAOYSA-N 434.518 2.741 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 13961375 VENORTXQZCGONM-UHFFFAOYSA-N 430.377 2.922 5 40 IFBB COC(=O)c1sc2ncn3nc(-c4ccc(Cn5cc([N+](=O)[O-])cn5)o4)nc3c2c1C 2791672 YSSWVZUTVUZJLR-UHFFFAOYSA-N 439.413 2.847 5 40 IFBB CSc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1[N+](=O)[O-] 9645611 LNQZWOWJPCGWLL-UHFFFAOYSA-N 439.490 2.603 5 40 IFBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nn([C@@H]2CC(=O)[C@H]3OC[C@@H]2O3)c1=S 12427797 JSQHDPQAJLFPSS-LZNRXBQRSA-N 448.504 2.723 5 40 IFBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 25266365 RIFSXCUBKPFYBN-UHFFFAOYSA-N 434.374 2.989 5 40 IFBB O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 505650471 FYYIBMFSJJWGGK-UHFFFAOYSA-N 444.451 2.860 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@H]3[C@@H]2C1=O 199141352 ALIPBAZNQJSQLD-LEAZDLGRSA-N 430.420 2.500 5 40 IFBB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546779 CMLZJSUTQQDPBN-OAHLLOKOSA-N 429.539 2.945 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)ccc1Cl 12783642 KGHZQVMSGFJPNK-UHFFFAOYSA-N 425.894 2.559 5 40 IFBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(NC(C)=O)cc3o2)cc1[N+](=O)[O-] 32126638 OQZXAUXIOMUZIC-UHFFFAOYSA-N 429.414 2.830 5 40 IFBB CCCn1/c(=N\C(=O)Cc2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627822 CSOKWGIMTNMDJP-VYIQYICTSA-N 444.491 2.906 5 40 IFBB COc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC 220235674 ZSCBFDQCBUVXCQ-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1[N+](=O)[O-] 408662304 XSHUEGICORLHBB-CQSZACIVSA-N 427.369 2.590 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccccc3)c2=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1 408730255 GIFGSWWBHQHCOM-MTGKDYNDSA-N 449.488 2.815 5 40 IFBB Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9328726 KAKIWRKWEODAGK-UHFFFAOYSA-N 444.448 2.774 5 40 IFBB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 21094847 URDBYQVFNCBZCU-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CC[C@H](C)C4)c([N+](=O)[O-])c1 6166732 XIDMTPPQUXMXFX-JTQLQIEISA-N 429.458 2.533 5 40 IFBB CC[C@@H](C(=O)Nc1cc(C(=O)OC)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222520608 FFFVHKJEUUUHIQ-SFHVURJKSA-N 449.485 2.873 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223676516 ZIOALXHOJRUBJG-MRXNPFEDSA-N 429.473 2.844 5 40 IFBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC 3341986 CVDNHSVOXSCWCF-NSHDSACASA-N 432.385 2.567 5 40 IFBB C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)Nc1ccc(F)cc1Cl 3467981 XCDRETZIGVVMNG-VIFPVBQESA-N 449.778 2.554 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 4143553 CJFCGLDRIYXXAK-WBVHZDCISA-N 442.815 2.546 5 40 IFBB O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 33046480 QOUIQEPIZXUAMW-UHFFFAOYSA-N 426.448 2.932 5 40 IFBB Cn1c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1Br 40068969 OKBUASFCSQQUKS-GFCCVEGCSA-N 447.083 2.922 5 40 IFBB CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224087194 NDKJSBBCMLTHOF-INIZCTEOSA-N 429.473 2.578 5 40 IFBB Cc1c(C(=O)NCc2nnc(SCC(=O)N3CCCCCC3)o2)cccc1[N+](=O)[O-] 9518641 NFVWLUJUJINXAJ-UHFFFAOYSA-N 433.490 2.711 5 40 IFBB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32999821 HMMFNYZLOYOQTH-RTBURBONSA-N 439.493 2.847 5 40 IFBB Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 408551236 GUWUAFCEAXPVOH-NSHDSACASA-N 442.291 2.971 5 40 IFBB O=C1C[C@@H](c2ccc(Cl)cc2)N2N=C(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)NC2=N1 17206593 YUJCXHRKCMUZLC-UFNQUYMESA-N 438.831 2.581 5 40 IFBB COc1ccc(OC)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222685440 XOWXYJWLDSZWFP-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB C[C@H]1CN(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H](C)O1 9631637 NXVSQONMXNHOTG-SRVKXCTJSA-N 433.383 2.593 5 40 IFBB COc1ccc(C(=O)C2CCN(C(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 12739606 VGNVGUVDEFVFRP-OAHLLOKOSA-N 439.468 2.843 5 40 IFBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1[N+](=O)[O-] 14269084 ZLOLWQSDYWJMOU-UHFFFAOYSA-N 449.876 2.993 5 40 IFBB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 24750199 LVRAHXHSIVSNOE-IBGZPJMESA-N 441.875 2.926 5 40 IFBB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 40390475 CJOBDRHFBIITQY-ZFWWWQNUSA-N 440.460 2.512 5 40 IFBB C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 15916569 KHWMQJDRIYENQM-GASCZTMLSA-N 433.486 2.574 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 17097441 RKENISGMPWTCEK-QPSCCSFWSA-N 431.426 2.725 5 40 IFBB O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1[N+](=O)[O-] 25059193 DXBCGUAAOOTCCR-UHFFFAOYSA-N 447.394 2.907 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)n1 40398975 BNKRKNJYSHBYFN-UHFFFAOYSA-N 428.452 2.571 5 40 IFBB COC(=O)C[C@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 95446179 RMTBBXBQIDHKRH-OAHLLOKOSA-N 425.507 2.691 5 40 IFBB CCOc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408662520 JIJCOPXRFUHCNQ-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c1O 409014868 LUDQAANKNXPNCK-CXUHLZMHSA-N 440.412 2.539 5 40 IFBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1nccs1 2720080 OXTBURPBGABQKW-UHFFFAOYSA-N 447.523 2.976 5 40 IFBB COc1cc(C(=O)N2CCN(Cc3nc(C4CC4)cs3)CC2)c([N+](=O)[O-])cc1OC 23137233 ZJGOHDVZUKIXLB-UHFFFAOYSA-N 432.502 2.904 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 216338428 SQUFIXGHAYYENP-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB CCOC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])CC1 12554161 JNNUTQNSEBIGGJ-UHFFFAOYSA-N 439.534 2.795 5 40 IFBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCCCCC1 16765127 HCAMLGWSUNHZIQ-OAHLLOKOSA-N 425.507 2.549 5 40 IFBB CS(=O)(=O)c1cc(-c2nc(-c3ccc(Br)cn3)no2)cc([N+](=O)[O-])c1 97377782 UTIHOLNPLBBEHL-UHFFFAOYSA-N 425.220 2.873 5 40 IFBB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153176 WQURDOZDPOUDLC-UHFFFAOYSA-N 430.442 2.726 5 40 IFBB CCCC[C@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 408663793 OWLWMMYUZMSGET-GOSISDBHSA-N 439.424 2.932 5 40 IFBB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2949132 MFISJHWYBFLQDK-LJLZWOEMSA-N 449.419 2.771 5 40 IFBB COc1cc(C)c(CN2CCN(C(=O)COc3ccc(C)cc3[N+](=O)[O-])CC2)cc1OC 25492264 RRHXGKOLSUDSKW-UHFFFAOYSA-N 443.500 2.952 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccccc1 49942366 HUSRKJFHMLINOV-MTGKDYNDSA-N 449.488 2.815 5 40 IFBB COCCN(c1cccc(Br)n1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C 96013504 UQDAMCBVAOETHC-UHFFFAOYSA-N 430.280 2.902 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1c3ccccc3C=CN1[C@@H]2C(C)=O 9333958 UPBYRKFPAKVBFS-UWHLTILDSA-N 433.420 2.708 5 40 IFBB Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1[N+](=O)[O-] 12767656 OTIGSPVOUQCKBG-UHFFFAOYSA-N 443.525 2.929 5 40 IFBB COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC 13140962 LCAFXVPLMILNCJ-UHFFFAOYSA-N 445.247 2.953 5 40 IFBB COc1cccc(CN(C)C(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c1 57672187 TVEQRXOLWLBIOH-UHFFFAOYSA-N 449.511 2.932 5 40 IFBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409215784 AUOHEPUSXZOGOM-YVLHZVERSA-N 449.485 2.667 5 40 IFBB Cc1cc(C)n(NC(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)c(=O)c1 2797146 WYEFRXSNXGXYHN-UHFFFAOYSA-N 446.261 2.765 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc([N+](=O)[O-])c1 13572212 NOTCVXPHGRRRSW-UONOGXRCSA-N 444.538 2.832 5 40 IFBB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 33731788 ZAWXXOGADKMIIC-UHFFFAOYSA-N 430.804 2.913 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@H](C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)cc1 40400482 RJEAIQSHXUMIAS-CYBMUJFWSA-N 434.412 2.795 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222363949 LCGCVWXIYZVDGX-UHFFFAOYSA-N 436.446 2.996 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 25462804 JCDDXGRKUHNJIF-UHFFFAOYSA-N 438.513 2.833 5 40 IFBB CC[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 40390473 CJOBDRHFBIITQY-HIFRSBDPSA-N 440.460 2.512 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 220397802 QWJQFEBAMDGDBG-QGZVFWFLSA-N 448.545 2.700 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393976 YXQQCTXCEIWTHJ-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB Cc1ccc(SCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220404485 FMCYLNZOVIKPAZ-HNNXBMFYSA-N 437.543 2.966 5 40 IFBB CCc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9192881 CDZNYRHFXJEMNU-UHFFFAOYSA-N 444.451 2.813 5 40 IFBB CCN(CC)c1ccc(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cn1 40153727 ANAPSJIAMWLCTM-UHFFFAOYSA-N 448.549 2.516 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 222370237 FOUNFGQHCNTXPN-UHFFFAOYSA-N 429.539 2.946 5 40 IFBB COc1cc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c(C)cc1[N+](=O)[O-] 9221368 YOYLOFHIEKMFMP-UHFFFAOYSA-N 448.501 2.747 5 40 IFBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222537290 GIWMYFLOOJYQSH-MRXNPFEDSA-N 436.446 2.995 5 40 IFBB C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 3442745 OMOZPEAMILTTNE-CYBMUJFWSA-N 437.449 2.924 5 40 IFBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccccn1 20239116 FMAUVZBRVPAHSN-UHFFFAOYSA-N 426.454 2.502 5 40 IFBB CC(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 25446403 MEJIKVKMMNNTLR-UHFFFAOYSA-N 447.513 2.630 5 40 IFBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(Cn2nc(C)cc2C)c1 40139342 BLEFLZJXPITZKO-UHFFFAOYSA-N 430.486 2.944 5 40 IFBB CC[C@H](C(=O)Nc1cc(OC)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516218 SGIAGUNUQDVUOP-QGZVFWFLSA-N 437.474 2.795 5 40 IFBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N1CCCCCC1 16765129 HCAMLGWSUNHZIQ-HNNXBMFYSA-N 425.507 2.549 5 40 IFBB O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 23688104 IWKLXBFFHGQLKB-UHFFFAOYSA-N 446.510 2.594 5 40 IFBB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1 222363034 ADMOFDMOAHIPRH-UHFFFAOYSA-N 435.458 2.551 5 40 IFBB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546442 RURBRBNCRKRZAG-KRWDZBQOSA-N 435.502 2.773 5 40 IFBB COCCn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cc21 888089583 PMLKJEXBDAYHFT-QAPCUYQASA-N 436.468 2.617 5 40 IFBB COc1cccc2c1ccn2CCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 888090683 NVFFPSSFPDZDFK-CVEARBPZSA-N 436.468 2.756 5 40 IFBB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c1C 9425412 FAQFVQJYFJYLDJ-UHFFFAOYSA-N 433.417 2.911 5 40 IFBB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 13856779 ZKPCPHSEIRYFBX-MRXNPFEDSA-N 440.408 2.551 5 40 IFBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 16920693 MJJOLQWAONXMMY-PXNMLYILSA-N 429.410 2.984 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc(OC(C)C)c1)S(C)(=O)=O 22374708 KBFXVWGDMZHUFQ-UHFFFAOYSA-N 435.502 2.773 5 40 IFBB Cc1c(N(CC(=O)Nc2nnc(-c3ccccc3)s2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224158540 SIZZRLKVRRYYJE-UHFFFAOYSA-N 447.498 2.826 5 40 IFBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409071482 OWGLOQMGXIXYOF-XREMMQICSA-N 431.220 2.661 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc2c(c1)OCCCO2 9208947 ZIXRBPCODHLNAB-UHFFFAOYSA-N 435.458 2.521 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)c2ccc(C)c(C)c2)CC1=O 408654802 QVCIFRBAVFYXEM-MRXNPFEDSA-N 426.425 2.999 5 40 IFBB O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCNc1ccccc1[N+](=O)[O-] 9916820 UNAMKGWUAOGKGI-UHFFFAOYSA-N 446.529 2.540 5 40 IFBB O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])s2)cc1 16806090 CAIZFCQOOOLMTG-UHFFFAOYSA-N 439.519 2.667 5 40 IFBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 32926760 XRFYJLZKYWVDRC-QFIPXVFZSA-N 435.484 2.892 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 218351722 IFUJZOMAYRTGFV-UHFFFAOYSA-N 437.474 2.795 5 40 IFBB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220423245 JACRUYJUNZARDM-HOTGVXAUSA-N 435.502 2.641 5 40 IFBB COc1ccc(Br)cc1[C@@H]1CN(C)[C@@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408565383 KBPSZQIMFCZIPS-SOVGHPHASA-N 432.274 2.980 5 40 IFBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 8705881 OCMXLCABIPXVMQ-HXUWFJFHSA-N 441.465 2.859 5 40 IFBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9009783 MZEFBNBYEXEDOD-UHFFFAOYSA-N 426.838 2.667 5 40 IFBB C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1=O 24497495 NTKOGOVPQAYWSS-VWLOTQADSA-N 440.459 2.653 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)N1CCOCC1 106710248 UTHGBGIYVSWDOA-MLPAPPSSSA-N 446.268 2.797 5 40 IFBB COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 222591829 OWFLJCDYBAEKPL-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)Cc1ccccc1)S(C)(=O)=O 223253010 OVXYUNSUBZYWHS-UHFFFAOYSA-N 435.502 2.507 5 40 IFBB C[C@@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(F)cc1 9509134 ICWFIDFSFIQPBD-ZIAGYGMSSA-N 431.420 2.663 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 9372929 CRYBRGCBKHCHON-HOCLYGCPSA-N 441.440 2.522 5 40 IFBB Cc1cccc(CS(=O)(=O)c2nnc(NC(=O)COc3ccccc3[N+](=O)[O-])s2)c1 13623944 IXFRGLDMCREQEK-UHFFFAOYSA-N 448.482 2.746 5 40 IFBB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)cc1[N+](=O)[O-] 15410031 HDIBXTBLPBWZPF-GJZGRUSLSA-N 433.486 2.953 5 40 IFBB Cc1cc(=O)c(C(=O)Nc2ccccc2N2CCOCC2)nn1-c1ccccc1[N+](=O)[O-] 21888313 OFBWVQHQTRMDCX-UHFFFAOYSA-N 435.440 2.538 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 45206846 QLRSMGGZQCLSDX-UHFFFAOYSA-N 429.433 2.540 5 40 IFBB O=C(CCN1CCN(Cc2ccc(Br)cn2)CC1)Nc1ccccc1[N+](=O)[O-] 97002241 PEVVCXXMXULDOR-UHFFFAOYSA-N 448.321 2.899 5 40 IFBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O 9683068 CTBZDZIKDMYWPY-FQEVSTJZSA-N 448.382 2.910 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 9907909 ZIXBDFDPMZTWMG-UHFFFAOYSA-N 440.456 2.692 5 40 IFBB O=C(COC(=O)C1=NN(c2ccccc2)C(=O)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 12653960 HOTMTXPCGOYTQP-UHFFFAOYSA-N 430.804 2.913 5 40 IFBB COc1cccc(-c2noc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)n2)c1 24964293 YYLUFSYZVFGIQJ-UHFFFAOYSA-N 440.412 2.847 5 40 IFBB COC(=O)c1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222373172 HZGYWNAJDLKILO-UHFFFAOYSA-N 449.485 2.875 5 40 IFBB CC(C)Sc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225098927 WTKZILGTWWBPCK-SNVBAGLBSA-N 445.548 2.740 5 40 IFBB CCc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])cc1 12554912 RSCPLHLRCLTQAU-UHFFFAOYSA-N 432.546 2.730 5 40 IFBB COc1ccc(C)cc1CN(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12633398 JSNOHLYXSXMFJX-UHFFFAOYSA-N 435.502 2.569 5 40 IFBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 225302808 LZWILYKEWLSTPL-UHFFFAOYSA-N 443.865 2.525 5 40 IFBB C[C@@H](OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 2623854 WIIKYIZXEJRMRR-LLVKDONJSA-N 439.346 2.914 5 40 IFBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccc(F)cc1)N1CCCN21 100835132 TTXAYVNAUGHDQE-SQNIBIBYSA-N 430.823 2.923 5 40 IFBB CCOC(=O)c1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1C 220034161 DVVIWJGUTBMFHY-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB Cc1cc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)nc(C(C)C)n1 12758038 RTUXIDAIMITUSW-UHFFFAOYSA-N 433.534 2.944 5 40 IFBB CCOC(=O)N1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 23157648 BCEZJYVRTFILGJ-OAHLLOKOSA-N 446.489 2.577 5 40 IFBB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 59816942 VAFJVBLMCARFIL-TYNCELHUSA-N 440.460 2.510 5 40 IFBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] 408656267 NBBWHHDVYQGVHM-RDJZCZTQSA-N 425.441 2.995 5 40 IFBB COCCCn1c(=N)c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21 101156662 CHBFUYNRDVNKCO-UHFFFAOYSA-N 449.486 2.543 5 40 IFBB CCN(c1cc(OC)c(OC)cc1C(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225093277 DEKVBODDUTUQML-UHFFFAOYSA-N 438.458 2.922 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 40945823 GHEBIIQPSBNCPM-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB Cc1ccc(NC(=O)NC[C@@H]2CCCN(c3nc4ccccn4c(=O)c3[N+](=O)[O-])C2)cc1 58224312 UXNVXUHSAMYYOX-INIZCTEOSA-N 436.472 2.949 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 100550309 ATQAGCRJJKFOMI-PBFVBANWSA-N 446.415 2.946 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 104017552 XXWJWFMHFBTDCO-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408564402 CNZOOXWEZHAIGG-DLBBVRJLSA-N 439.468 2.767 5 40 IFBB Cc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1C 9519953 ORBPYHZXLHFETK-SFHVURJKSA-N 437.500 2.849 5 40 IFBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 9834634 UDMGYFVDWAQAEA-UHFFFAOYSA-N 443.840 2.661 5 40 IFBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])NCCC1=CCCCC1 12644775 SREWSSIVXDVLSF-UHFFFAOYSA-N 437.518 2.765 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1 40398988 HQDYIKIISCYLIU-UHFFFAOYSA-N 432.484 2.856 5 40 IFBB O=C(COCCOc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 48285984 VAQQSGWQBFQCAY-UHFFFAOYSA-N 436.468 2.887 5 40 IFBB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526090 RREXOMXNQIZXLA-KRWDZBQOSA-N 435.458 2.565 5 40 IFBB Cc1nn(CC(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c(C)c1[N+](=O)[O-] 2661678 JBZBYSRQQHLFDW-UHFFFAOYSA-N 429.260 2.617 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408666159 GGVLEMAGFJNBMM-AWEZNQCLSA-N 427.413 2.528 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1F 12527913 VBSFLGTUASMKHG-MRXNPFEDSA-N 426.448 2.744 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 3849459 AQNLZKZECTVMKC-LJQANCHMSA-N 447.447 2.981 5 40 IFBB biogenic CCN1CCN([C@H](c2cccs2)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23181894 DUKABAPPUREZJZ-BEFAXECRSA-N 438.575 2.702 5 40 IFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769274 PNECACSGKDMMOY-FUHWJXTLSA-N 426.816 2.880 5 40 IFBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523608 PFJGNAVUMHLLGP-QGZVFWFLSA-N 436.446 2.995 5 40 IFBB COc1ccccc1[C@H](C)NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260805415 CODKCKWGFGDKIO-GJZGRUSLSA-N 435.502 2.944 5 40 IFBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20154302 ZZJMCDBRCVZFTE-UHFFFAOYSA-N 440.460 2.765 5 40 IFBB CCSc1nnc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225836203 RAPSNHATLXHAFT-LBPRGKRZSA-N 445.548 2.742 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1[N+](=O)[O-] 408665554 FVRFIDNTKNMNGV-RDJZCZTQSA-N 425.441 2.677 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O 409136777 VJDMJQHIEHYTII-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 13601222 OQSRFMYRDIDCDV-GQSCTRQFSA-N 446.415 2.946 5 40 IFBB N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 101170068 HDVUAGRUGJCLIM-UHFFFAOYSA-N 443.438 2.839 5 40 IFBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1OC 218261044 PDRHLBOLZRBIED-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB CCOC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076458 GXKTWCBXGPKIRJ-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB Cc1cc(C)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCCN21 248342357 XXWJWFMHFBTDCO-GSRZOBFVSA-N 446.463 2.643 5 40 IFBB CCc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1 9185431 XSCXNOBTKZPOEL-GOSISDBHSA-N 432.498 2.752 5 40 IFBB CCn1c(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nnc1-c1ccco1 16050978 DECURXJQYLAQHQ-UHFFFAOYSA-N 442.501 2.907 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 16310675 FDGJBIWJSAFMOG-UHFFFAOYSA-N 439.496 2.993 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 19160990 PXQRJRFEYPPEHK-UHFFFAOYSA-N 433.486 2.951 5 40 IFBB CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254761707 XJJJMFWPPXFHSX-BZUAXINKSA-N 433.417 2.724 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408670092 WPQYLRWNNRYPOR-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)c(C)c1 2250871 DLBRFBSADBVILO-MHTWAQMVSA-N 444.447 2.809 5 40 IFBB CCS(=O)(=O)c1ncc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 28288798 DFNWPZBSVLQIDN-UHFFFAOYSA-N 440.235 2.658 5 40 IFBB COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 36267742 ULHFOFMOKVPWOZ-UHFFFAOYSA-N 437.456 2.623 5 40 IFBB COc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1 222369516 XFQVQWMZKOSXTJ-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB CCN(CCC(=O)Nc1ccc(C(N)=O)cc1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 27507690 BJXUWEKLBQMWSE-UHFFFAOYSA-N 430.486 2.907 5 40 IFBB COCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1866687 IBCJLCGHCBIGCU-NFBKMPQASA-N 448.479 2.798 5 40 IFBB biogenic CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5OC)c(=O)c4cc3c2=O)n1 40398939 IKIBGVIVKGOJIK-UHFFFAOYSA-N 446.492 2.929 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCCN21 248006580 WAPMDJIAMPNFDS-OKFYXZINSA-N 446.463 2.643 5 40 IFBB COc1ccc(NC(=O)COC(=O)c2cc3cccc(OC)c3oc2=O)c([N+](=O)[O-])c1 9579934 SVIDXCWTIFKJCN-UHFFFAOYSA-N 428.353 2.514 5 40 IFBB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCO 12557351 NBSWOZVHNLCPRX-HXUWFJFHSA-N 427.457 2.910 5 40 IFBB O=C1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C(=O)N1Cc1ccc(Cl)cc1 18217950 ITWYJFOEJBVCRG-GOSISDBHSA-N 443.891 2.529 5 40 IFBB Cc1ccc(C(=O)NCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] 32843408 PAGSCXCLZQHEST-OAQYLSRUSA-N 427.457 2.918 5 40 IFBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NCc2cccnc2)ccc1[N+](=O)[O-] 61237466 MGTCOSHBQSBSBR-UHFFFAOYSA-N 436.424 2.946 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCCN(C)c1ccccc1)S(C)(=O)=O 220397737 QWJQFEBAMDGDBG-KRWDZBQOSA-N 448.545 2.700 5 40 IFBB CCOC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 408661759 HOHDUWMTWYITAF-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 409125052 BTFRXJRTCAEREX-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB Cc1ccc2sc(N3CCN(CCNC(=O)c4ccc([N+](=O)[O-])o4)CC3)nc2c1C 12342241 KJYIKVDMYJKNCA-UHFFFAOYSA-N 429.502 2.966 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 13949616 NPPVQLFDBQSDPU-UHFFFAOYSA-N 439.515 2.960 5 40 IFBB CCN(CC)C(=O)c1cccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 15418219 XVLZLFRMYMOZQV-UHFFFAOYSA-N 439.516 2.838 5 40 IFBB C[C@H](NC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1nnc2ccccn12 26276594 BHMMFGLEGBGKDG-ZDUSSCGKSA-N 429.868 2.884 5 40 IFBB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 70020113 MLVZUSUSUCGRJN-UHFFFAOYSA-N 448.479 2.571 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 9109570 PNZBCPISBINHIY-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB CCOC(=O)C1CCN(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 9120555 OMMZVKBTQDSIGB-UHFFFAOYSA-N 447.488 2.544 5 40 IFBB COC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 12553762 OLMBNNGUMVTWEH-UHFFFAOYSA-N 425.507 2.549 5 40 IFBB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C)n1C(C)C 12995891 NRMLASVETDALKK-UHFFFAOYSA-N 434.518 2.741 5 40 IFBB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 14271693 CEJDQLIWVANNJG-UHFFFAOYSA-N 441.513 2.699 5 40 IFBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H]1CCCN(c2ncccn2)C1 27607972 UIAOJRRFMZOPDT-ZDUSSCGKSA-N 438.410 2.848 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(Br)cc1 225073639 CYSAMFKFJSYWEL-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB COc1ccc2c(ccn2CCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c1 604405159 LFGHRVJRLSWQGB-WBVHZDCISA-N 436.468 2.756 5 40 IFBB biogenic O=C1CCN(C(=O)CSc2cc([N+](=O)[O-])cc(S(=O)(=O)Cc3ccccc3)c2)CC1 2792871 HHGLRZAALIIHMQ-UHFFFAOYSA-N 448.522 2.852 5 40 IFBB O=C(c1cnn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1cc(F)ccc1O 9589227 AAAISFJUTWCNBS-UHFFFAOYSA-N 425.781 2.757 5 40 IFBB O=C([C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2O1)N1CCOCC1 12887449 TZQHOLUQUTWECZ-GOSISDBHSA-N 431.832 2.515 5 40 IFBB C[C@@H](OC(=O)C[C@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14252895 YUIDUEGVRZSRQA-QLJPJBMISA-N 433.804 2.908 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 3849456 AQNLZKZECTVMKC-IBGZPJMESA-N 447.447 2.981 5 40 IFBB biogenic Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1[N+](=O)[O-] 24750205 LVRAHXHSIVSNOE-LJQANCHMSA-N 441.875 2.926 5 40 IFBB CC[C@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224103072 NJQANAUKIYVRCA-HXUWFJFHSA-N 449.529 2.951 5 40 IFBB CC(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1 4703612 QZKGXZMLSNBXGH-UHFFFAOYSA-N 426.517 2.818 5 40 IFBB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 28924114 FXMUALZJOSUHAG-QGZVFWFLSA-N 433.262 2.694 5 40 IFBB CCOC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077845 YKKXNUAUWAHYAA-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)N1CCN(Cc2ccc(F)cc2Cl)CC1 22485894 SEKYMFZJQAPBQF-UHFFFAOYSA-N 430.267 2.972 5 40 IFBB COc1cc(CNC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])ccc1OC(F)F 32808778 ODOIKZCQLCRIRB-UHFFFAOYSA-N 437.399 2.971 5 40 IFBB CCOc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 44842510 HGRJEXVUERWNQO-HNNXBMFYSA-N 435.502 2.945 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3CCCOC(C)C)c(=O)n2c1 101144775 KVRVXKCGDNASKA-UHFFFAOYSA-N 437.544 2.925 5 40 IFBB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 408576401 XWKXJXFGUXIKGR-UHFFFAOYSA-N 442.472 2.784 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 408689167 XTALIOLPMUHKNO-KDURUIRLSA-N 433.420 2.786 5 40 IFBB NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)O)cc2s1 408749686 ISKLQSMZYBRDRH-UHFFFAOYSA-N 432.439 2.732 5 40 IFBB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O 409208611 DCJNUSLUHZDLRC-ATVHPVEESA-N 449.485 2.811 5 40 IFBB CS(=O)(=O)N(CC(=O)NCCCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 22347914 GJLXLWNKSYYGGE-UHFFFAOYSA-N 425.894 2.763 5 40 IFBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCC[C@H](C4OCCO4)C3)c([N+](=O)[O-])c2)C1 69221941 UECKCFOCOPIALP-CVEARBPZSA-N 439.534 2.605 5 40 IFBB Cc1cccc2c1CCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 604498004 MTKRUWGKEURQPI-INIZCTEOSA-N 429.498 2.893 5 40 IFBB O=[N+]([O-])c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 3178930 UHBFQKRQNSHARN-NHCUHLMSSA-N 429.493 2.923 5 40 IFBB O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 15441491 QNWMIGDHBLDHHC-UHFFFAOYSA-N 435.465 2.780 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H]3CCS(=O)(=O)C3)c([N+](=O)[O-])c2)c(C)c1 18899411 YQAYACIVWUIDBB-CQSZACIVSA-N 439.515 2.611 5 40 IFBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCN(Cc2ccc(Cl)cc2)CC1 39969271 NJAKRBYRPFXREG-UHFFFAOYSA-N 430.848 2.501 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14269622 IGAMQXFFAHZYOT-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)COc2cc([N+](=O)[O-])ccc2OC)c1 24976628 MLZYUDSWHYVOMF-UHFFFAOYSA-N 437.474 2.651 5 40 IFBB Cc1ccccc1-n1c(-c2cccc([N+](=O)[O-])c2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 27299041 FUFOGQOCIOAGTO-UHFFFAOYSA-N 430.424 2.559 5 40 IFBB Cn1ccnc1[C@@](O)(CCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1)C(F)(F)F 78726137 NHXZDMWUNWVYLB-SFHVURJKSA-N 441.410 2.816 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccc(F)cc1 253487058 DGYSWVQUMJOIOE-FUMNGEBKSA-N 448.410 2.639 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1 408651927 BSQFAMMOXVHINT-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)c([N+](=O)[O-])n1 8687824 STLFJXHXOSNDQW-UHFFFAOYSA-N 448.501 2.799 5 40 IFBB COC(=O)c1ccc(CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3C)o2)o1 9518651 BINZTDAQBIEXKE-UHFFFAOYSA-N 432.414 2.888 5 40 IFBB COC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222365440 XNCCSLKZECUDCH-UHFFFAOYSA-N 435.458 2.566 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13562863 WPIQRBJCALAPSY-INIZCTEOSA-N 426.473 2.777 5 40 IFBB COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 32967208 KIMCUBLBJCCEFM-MRXNPFEDSA-N 444.440 2.923 5 40 IFBB Cc1cc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] 224357546 RJIUPZBRICXBRP-UHFFFAOYSA-N 447.513 2.887 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2cccc(C(C)=O)c2)c1 408660643 BNYXGEQYDQDKRN-UHFFFAOYSA-N 443.412 2.707 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 408681708 IHGNBOWEGCZXMZ-IAGOWNOFSA-N 433.420 2.786 5 40 IFBB Cc1nn(C(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(C)c1I 1431343 KGXSNDGHATYOFK-UHFFFAOYSA-N 431.234 2.947 5 40 IFBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1 9313373 HHJXBXNLTQDENH-UHFFFAOYSA-N 430.424 2.559 5 40 IFBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NC(C)(C)C 15912202 CTZJNUVWDHDQQW-VIFPVBQESA-N 434.371 2.582 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 408572130 GVNUCOLZKYZICU-UHFFFAOYSA-N 427.457 2.808 5 40 IFBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)CC1 409347987 OCJKDHRVVRTCIA-APSNUPSMSA-N 433.442 2.618 5 40 IFBB CCOc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17096901 ZDFMPKUVBPKQSG-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)CCc1ccccc1)S(C)(=O)=O 408617907 HRNHAOIZPJTGOT-HNNXBMFYSA-N 435.502 2.507 5 40 IFBB COc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 9867630 ZQIOIGHANFMVBU-UHFFFAOYSA-N 447.391 2.972 5 40 IFBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 59416456 OOYCQVXADWPACX-SJLPKXTDSA-N 426.816 2.880 5 40 IFBB CC[C@H](C(=O)Nc1ccc(C(=O)OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533680 AIZBIHHFCZVECK-QGZVFWFLSA-N 449.485 2.873 5 40 IFBB Cc1cccc(C)c1NC(=O)C1(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CCCCC1 1071271 HJEFLOCIIYJQKB-UHFFFAOYSA-N 426.473 2.831 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 12847888 IDNRMIREQZSZMA-KRWDZBQOSA-N 446.529 2.627 5 40 IFBB CCOc1ccccc1CCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 13613351 RGUCODNWVNPTTJ-UHFFFAOYSA-N 435.502 2.509 5 40 IFBB COC(=O)C1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 37355755 HUNZLQQOLDTSCI-HNNXBMFYSA-N 431.474 2.687 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 408672755 ZWKZNCBIMVXLSX-CQSZACIVSA-N 427.413 2.528 5 40 IFBB COc1ccc(-c2nnc(SCC(=O)N3CCc4ncc([N+](=O)[O-])cc4C3)o2)cc1 95465465 OSGONQOIJCJSBF-UHFFFAOYSA-N 427.442 2.725 5 40 IFBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2OC)cc1Cl 224964208 NOXYICVTLPEVDB-UHFFFAOYSA-N 430.822 2.545 5 40 IFBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N1 409030344 FLWUZPKJQDKRCJ-LVSKKATPSA-N 449.488 2.707 5 40 IFBB COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)[O-] 2003227 HFGDOEGDRDVXPX-BATLZEKGSA-N 429.425 2.894 5 40 IFBB in-vitro CCn1c(CN2CCCCCC2=O)nnc1SC[C@H](O)COc1cccc([N+](=O)[O-])c1 40024325 DLJPVAMFZGFJPO-MRXNPFEDSA-N 449.533 2.641 5 40 IFBB Cc1ccc(OCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])n1 8687814 OFKAPQSPEOPJEC-UHFFFAOYSA-N 448.501 2.799 5 40 IFBB O=C(c1cccs1)[C@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 36096794 BYOFVPUEDDYENS-LALPHHSUSA-N 447.416 2.631 5 40 IFBB Nc1nc(NCCc2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147604 VUBSIKZPLPXLEI-UHFFFAOYSA-N 433.516 2.944 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 107598373 ZASZTXWNMDAMMG-UHFFFAOYSA-N 443.529 2.872 5 40 IFBB CN(C)c1oc(-c2ccccc2[N+](=O)[O-])nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13727687 ORTZIYINSSWUKP-UHFFFAOYSA-N 431.426 2.920 5 40 IFBB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1 20442438 ISJXDZRLVQURCJ-KRWDZBQOSA-N 438.487 2.719 5 40 IFBB CCOc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1 21094937 ACPLTGDPBUTDTK-HNNXBMFYSA-N 441.440 2.837 5 40 IFBB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 59816949 VAFJVBLMCARFIL-LALPHHSUSA-N 440.460 2.510 5 40 IFBB CC(C)C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 95464297 FNORDINSODDLOA-RDJZCZTQSA-N 427.523 2.621 5 40 IFBB CC(=O)Oc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 409178666 MNKISLADRFISDS-UHFFFAOYSA-N 428.397 2.973 5 40 IFBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(OC)c1 218259663 ISALZSAXEABPNT-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB CC[C@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223868881 LJERTVJMWCNVKX-LLVKDONJSA-N 445.548 2.660 5 40 IFBB CC(C)(C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)c1ccccc1 12595853 OAJFMMRDHUQNIH-UHFFFAOYSA-N 431.514 2.625 5 40 IFBB Cc1oc(=S)n(CN2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c1C 12740015 KRNDBMCYTCFMGF-UHFFFAOYSA-N 426.520 2.519 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(OC)c1OC 16091204 MNKQJYPFZZCIRP-LLVKDONJSA-N 434.401 2.813 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35833056 IHHBCBQHEQVUOZ-FIXDAVPBSA-N 446.463 2.643 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(C)=O 248379095 LSBXBYVHMIJRLS-FIRPJDEBSA-N 433.420 2.582 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N[C@H]1c1ccccc1 408731297 LPCJVRMUAOGXMR-LVSKKATPSA-N 449.488 2.815 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 24764228 GUUWTSFRWPEJLJ-UHFFFAOYSA-N 429.429 2.626 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 223067219 ZEBJOQIMHOXXFJ-TYILLQQXSA-N 434.500 2.962 5 40 IFBB CCOC(=O)CN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000262 GWFMFDRHKVATDJ-UHFFFAOYSA-N 436.442 2.530 5 40 IFBB CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(s/c(=C\c3ccc([N+](=O)[O-])cc3)c2=O)=N1 409031230 JLHNANWJQIZVHT-LVSKKATPSA-N 449.488 2.707 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 10295834 QHBMPFYPXYEIRO-SFHVURJKSA-N 432.400 2.837 5 40 IFBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224662086 RMWZDEJHFZNSDM-MRXNPFEDSA-N 429.473 2.926 5 40 IFBB O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154333 DNNQUUQGBUZBOS-UHFFFAOYSA-N 435.278 2.784 5 40 IFBB CCN(CC)C(=O)CN1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829188 IUIUDIMFBTWNSV-UHFFFAOYSA-N 433.387 2.512 5 40 IFBB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 38853980 HJXJASPYPWQQOH-MRXNPFEDSA-N 425.850 2.804 5 40 IFBB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540202 RKAPRZDKUWVOIO-KRWDZBQOSA-N 449.485 2.873 5 40 IFBB Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2 604503754 OIAHBBYIYASRGB-QGZVFWFLSA-N 429.498 2.893 5 40 IFBB CCCc1nn2c(=O)cc(N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)nc2s1 5946911 NZIXXMWHOYQNIT-UHFFFAOYSA-N 434.909 2.992 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 12660225 GLWYDOKOACEEMB-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)oc2ccccc12 15431517 SISLRFOUPWQIRI-UHFFFAOYSA-N 429.454 2.796 5 40 IFBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)oc2ccccc12 21345814 XWGQGMZPICVWLJ-UHFFFAOYSA-N 429.454 2.796 5 40 IFBB C=C(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1c/c(=N/NC(N)=S)c2ccccc2o1 104298059 HXNDNUNHSNUWDD-STZFKDTASA-N 426.414 2.981 5 40 IFBB O=C(c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1)N1CCN(c2ccc(O)cc2)CC1 2637102 OUEXQOOWYAYOFQ-UHFFFAOYSA-N 426.458 2.532 5 40 IFBB CCN(CC)C(=O)c1cccc(NC(=O)COc2ccc(C(=O)OC)cc2[N+](=O)[O-])c1 19353281 KHSKRRXRDPKYOJ-UHFFFAOYSA-N 429.429 2.881 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 43710806 LSBXBYVHMIJRLS-LRGNLBRXSA-N 433.420 2.582 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224002230 ASMMVXKPSDMTER-OAHLLOKOSA-N 445.472 2.544 5 40 IFBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)o1 107939116 FHVNGIHHIIMAKZ-VGOFMYFVSA-N 434.382 2.925 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)CCC1=O 408689548 YNAKPZCAUAPGBQ-UHFFFAOYSA-N 432.776 2.863 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2)C1=O 9507781 GEPPHTWMTHEGJW-LJQANCHMSA-N 432.820 2.663 5 40 IFBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 58167973 VAUHDJWAVFFEEK-DEOSSOPVSA-N 449.463 2.948 5 40 IFBB CCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1 95445402 UGQOHWFFKKGUPU-UHFFFAOYSA-N 430.460 2.523 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 3455941 LJPBQJBENIFOSM-UHFFFAOYSA-N 444.498 2.776 5 40 IFBB C[C@H]1CCc2c(sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)c2C(N)=O)C1 9982797 RTSDMDCDOGEXBT-LBPRGKRZSA-N 444.513 2.969 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1 12974715 XYSWHEAZWYYOOV-UHFFFAOYSA-N 437.543 2.724 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] 16693005 LXWYTKLTFIXKRP-UHFFFAOYSA-N 444.513 2.953 5 40 IFBB COc1cc(OC)cc([C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2nccn2C)c1 32301417 LRGHFFLKEJTUFT-SFHVURJKSA-N 436.428 2.741 5 40 IFBB Cc1cc(N(CC(=O)O)S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br 224752521 YBKIRHZLOSRTCV-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB Cc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1C 9519952 ORBPYHZXLHFETK-GOSISDBHSA-N 437.500 2.849 5 40 IFBB CCN(CC)CCn1c2c(c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc1=O)CCC2 9745637 VSFIOBJRBYCAKB-UHFFFAOYSA-N 445.545 2.713 5 40 IFBB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 20792568 XDASKUKOFJTJDC-GXTWGEPZSA-N 433.490 2.726 5 40 IFBB COc1ccc(Br)cc1[C@@H]1CN(C)[C@@]2(C(=O)Nc3ccccc32)[C@@H]1[N+](=O)[O-] 408565380 KBPSZQIMFCZIPS-BOFPYLFWSA-N 432.274 2.980 5 40 IFBB C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 13141006 VAWJKIUPPUYFSI-OAHLLOKOSA-N 433.486 2.636 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859781 SECWZFONPQWPHS-INIZCTEOSA-N 425.850 2.722 5 40 IFBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1C[C@H]2CC[C@H]1C2 108875834 GYYPUIVELSQNGM-OVWQWFNUSA-N 431.489 2.529 5 40 IFBB CN(C)C1(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCCCCC1 21791037 HSVAIANLRYGEIB-UHFFFAOYSA-N 440.566 2.682 5 40 IFBB O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32999823 HMMFNYZLOYOQTH-RBUKOAKNSA-N 439.493 2.847 5 40 IFBB O=C(c1cccs1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(O)C(F)(F)F 8763680 KOBVYOOJDQINFH-LALPHHSUSA-N 431.417 2.925 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)s1 12824402 HKHGMPGCHCCPJB-HNNXBMFYSA-N 435.527 2.955 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 19159748 IWFJDQUNZQGLMW-UHFFFAOYSA-N 437.449 2.782 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)[C@H](CC)c1ccccc1 31936950 RJAOVZLJMXCRFM-ISOPTDGDSA-N 444.491 2.984 5 40 IFBB Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1S(=O)(=O)N1CCOCC1 218519895 OKVWYAKEYCAINQ-UHFFFAOYSA-N 439.877 2.830 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1ccc([N+](=O)[O-])cc1 100550317 KWVFKVANTBSHSG-PBFVBANWSA-N 446.415 2.946 5 40 IFBB O=C(c1ccccc1)[C@@H]([C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1 31613442 UCZZLGBQZYHCMY-FGZHOGPDSA-N 425.485 2.552 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 35897861 RKENISGMPWTCEK-BARDWOONSA-N 431.426 2.725 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(SC)c1)S(C)(=O)=O 220066412 HJZFXEOCIGKBIC-UHFFFAOYSA-N 425.488 2.730 5 40 IFBB CC[C@H](C(=O)Nc1ccc(OC)c(OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516370 XWJLZHXKKQCIHR-MRXNPFEDSA-N 437.474 2.795 5 40 IFBB Cc1c(NC(=O)CCCN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cccc1[N+](=O)[O-] 222672323 HQANPGMXIQVFFV-UHFFFAOYSA-N 449.485 2.859 5 40 IFBB CCc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(OC)ccc3[N+](=O)[O-])CC2=O)cc1 408657921 QAJNEERJULGIBL-OAHLLOKOSA-N 441.440 2.701 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222655317 HYRUFTVMTXBHHO-UHFFFAOYSA-N 425.438 2.927 5 40 IFBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(Cl)c1 9720975 OXKXLNSCPCUPRF-UHFFFAOYSA-N 426.838 2.667 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 16978290 LULMSUOIMDATMJ-UHFFFAOYSA-N 448.482 2.900 5 40 IFBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 37355758 ZQTIUXHBPJSXNX-OAHLLOKOSA-N 431.474 2.641 5 40 IFBB CCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101084524 SGAQSCQTLHETLJ-SZXQPVLSSA-N 445.479 2.680 5 40 IFBB Cc1ccc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)c1 9516600 OGXIARDPUPDZEI-UHFFFAOYSA-N 427.442 2.926 5 40 IFBB Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cccc1[N+](=O)[O-] 15557596 ZFMRNRKMFIBFGE-UHFFFAOYSA-N 443.525 2.929 5 40 IFBB COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O 21540849 DOXGJOUXADKBAU-GOSISDBHSA-N 444.875 2.711 5 40 IFBB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 22375026 YRZYLTVNLBDRPX-INIZCTEOSA-N 435.502 2.561 5 40 IFBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)c([N+](=O)[O-])c2)C1 32717242 CXGCNNOHDDMFPY-HZPDHXFCSA-N 438.550 2.686 5 40 IFBB CC[C@H](C(=O)N(C)Cc1ccc(OC)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222512647 FNCVEMQWFIKGIZ-LJQANCHMSA-N 435.502 2.807 5 40 IFBB CC(C)Cn1nnnc1Sc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 9336306 XLTXLSCZXAWFCV-UHFFFAOYSA-N 440.551 2.953 5 40 IFBB CN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1 60379542 NGDTUOAFHVPSGL-UHFFFAOYSA-N 427.276 2.935 5 40 IFBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 89459629 NMVJKBAUVCLFQD-UHFFFAOYSA-N 449.485 2.796 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1 9402789 MXSRHPOFRGFGCC-UHFFFAOYSA-N 439.515 2.879 5 40 IFBB CCOC(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9892707 BZRMMBPQTKBWAK-UHFFFAOYSA-N 429.429 2.869 5 40 IFBB CC[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222537139 NQKBEMNQSBLXMW-MRXNPFEDSA-N 449.485 2.858 5 40 IFBB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036061 ZQJDGZQGXHTJQY-UHFFFAOYSA-N 447.238 2.865 5 40 IFBB COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 408550479 CTWUMJASKFFBBU-CQSZACIVSA-N 449.485 2.651 5 40 IFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCC(C)CC1 408605230 LBMUPLNFFKKNNX-GQCTYLIASA-N 444.444 2.612 5 40 IFBB CN(S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)s1 9219328 LFHWZLBVJBKHDF-UHFFFAOYSA-N 431.300 2.973 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 19643224 LIPWKZLAECGMIA-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB COc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23106234 OLVPKYNYJXCWCW-SFHVURJKSA-N 433.436 2.554 5 40 IFBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769248 CNJHWVPMGDJLNI-FUHWJXTLSA-N 426.816 2.880 5 40 IFBB O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 3219959 MWCAGUVVKYYVDB-UHFFFAOYSA-N 446.397 2.827 5 40 IFBB COc1ccc(CCNC(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1OC 9352657 HBVYYMBOAMCTGL-UHFFFAOYSA-N 434.470 2.606 5 40 IFBB O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 170623510 BYOFVPUEDDYENS-XUJVJEKNSA-N 447.416 2.631 5 40 IFBB NC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 8685388 PDFDBKMNADHZCW-UHFFFAOYSA-N 426.307 2.900 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC[C@@H]4CCCO4)c(=N)n3C3CCCCC3)c(=O)n2c1 16750862 LZCOBUDGZOBTHZ-KRWDZBQOSA-N 435.528 2.851 5 40 IFBB Cc1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)c3ccc(Cl)cc32)ccc1[N+](=O)[O-] 84101516 QRSCXNDHKDKTBD-CQSZACIVSA-N 430.891 2.754 5 40 IFBB COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)ncn1 1772160 ALMMLHQBVAKBLC-UHFFFAOYSA-N 435.443 2.508 5 40 IFBB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@@H]45)[C@H]3C2=O)cc1 13721578 CSHCMAAIBIKRNH-HVSHRVNHSA-N 445.431 2.972 5 40 IFBB CC(C)CN1C[C@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1=O 29758813 AVLIZBPMJRWTJA-CQSZACIVSA-N 442.438 2.767 5 40 IFBB O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 35239950 SEWABQKNLVWSQY-UHFFFAOYSA-N 444.919 2.976 5 40 IFBB O=C1CN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Oc3ccccc3)cn2)CCN1 40133786 ARXSDNBXCROJSZ-UHFFFAOYSA-N 433.424 2.971 5 40 IFBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 409022482 QADUMDCWZHSYSI-VGOFMYFVSA-N 430.804 2.794 5 40 IFBB O=C(NC[C@@H]1COc2ccccc2O1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 31036752 ZZQFKPJZMRVWAW-OAHLLOKOSA-N 432.864 2.920 5 40 IFBB O=C(O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 408597269 UPQNATBRFYCRFM-SDQBBNPISA-N 436.174 2.595 5 40 IFBB NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 8831322 YGXDVEMEYNYBTM-UHFFFAOYSA-N 446.466 2.629 5 40 IFBB CCCCn1c(N)c(N(CC(C)C)C(=O)CSc2ccc([N+](=O)[O-])cc2)c(=O)[nH]c1=O 14670007 WRRXJFJLGZHRMH-UHFFFAOYSA-N 449.533 2.608 5 40 IFBB COCCOc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1OC 24937333 BVNRCANNNPBXID-UHFFFAOYSA-N 431.445 2.718 5 40 IFBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(CC(=O)N2CCc3ccccc32)CC1 59419173 OPCIAPLVMJTNHR-UHFFFAOYSA-N 428.876 2.595 5 40 IFBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 6025905 VEGIAAIUTJTZOR-BJMVGYQFSA-N 425.426 2.838 5 40 IFBB CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])n2c(cc(=O)[nH]c2=S)N1 8439384 NFCFJIGYTLIIAL-XIKOKIGWSA-N 444.469 2.825 5 40 IFBB COc1cc([C@@H]2N[C@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])ccc1O 33929646 LWFVMHYOVYRDHE-JVSBHGNQSA-N 447.444 2.817 5 40 IFBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc(OC)c1OC 408564403 CNZOOXWEZHAIGG-DTPUHQDNSA-N 439.468 2.767 5 40 IFBB C[C@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)NC1CCCCCC1 12791843 UCYDPMSCELXFPX-HNNXBMFYSA-N 439.534 2.986 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NCCN1CCOCC1 15208319 AQWDRXAWDJRCAN-UHFFFAOYSA-N 440.909 2.793 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCCN21 15989261 VTQUSRNWSGYSPE-QLBZUPSYSA-N 446.463 2.643 5 40 IFBB CNC(=O)CN(C)c1ccc(C(=O)c2sc(N3CCCCC3)nc2C)cc1[N+](=O)[O-] 19309409 QAEMWAOKMRTEEK-UHFFFAOYSA-N 431.518 2.763 5 40 IFBB Cc1cccc(COC(=O)C2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)c1 24713605 YRMYKMJFHIVNSO-UHFFFAOYSA-N 433.486 2.510 5 40 IFBB COc1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-] 32927416 ACDAUOYKXUGHOH-UHFFFAOYSA-N 434.396 2.798 5 40 IFBB O=C(NCN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1)c1cccnc1 16429919 NBQFAXZTSGAYCY-UHFFFAOYSA-N 436.472 2.704 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCC[C@H](C)[C@@H]5C)c(=O)c4cc3c2=O)n1 223067332 ZEBJOQIMHOXXFJ-NJSLBKSFSA-N 434.500 2.962 5 40 IFBB CC(=O)c1ccccc1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12912194 VQWPDJMNBQDZSN-IBGZPJMESA-N 431.470 2.979 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1 13601200 JFUZCHZXTWGALT-YQMDMEMYSA-N 446.415 2.946 5 40 IFBB COc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 40143696 MXSYWDIZOJGYQA-KBPBESRZSA-N 425.850 2.753 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113890142 CEDNWPOWSRVQCY-UHFFFAOYSA-N 443.821 2.915 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 8398946 XTYPVMBUOCVNQW-CQSZACIVSA-N 443.460 2.929 5 40 IFBB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 13010981 RDEAWPPVROZMOF-UHFFFAOYSA-N 430.371 2.555 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220389650 JCPXRHRLTZDPDC-ZDUSSCGKSA-N 436.446 2.913 5 40 IFBB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 223986026 KOABSPKPJAEHGI-QGZVFWFLSA-N 437.474 2.795 5 40 IFBB COc1cc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225473131 SKMMZHHVSKKBEI-MRXNPFEDSA-N 429.473 2.924 5 40 IFBB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)c(C)c1 253487080 DLBRFBSADBVILO-ANULTFPQSA-N 444.447 2.809 5 40 IFBB CN1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3nc21 12914516 CRZUFTITWQCQRV-UHFFFAOYSA-N 434.456 2.531 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2)cc1 15101009 MXVSLUXDSOOUML-UHFFFAOYSA-N 446.529 2.547 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20112096 GTYRGIMVZOUCIN-UHFFFAOYSA-N 427.504 2.567 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3N=CC=C[C@H]3[C@@H]2C1=O 199122433 JYQKECMMEZRDPQ-LEAZDLGRSA-N 448.410 2.639 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1[N+](=O)[O-] 2649131 ZPYKBEQCDGUBBQ-UHFFFAOYSA-N 439.453 2.621 5 40 IFBB COc1cc(OC)c(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)cc1OC 9096943 XFENBUPNQDKPEM-UHFFFAOYSA-N 434.401 2.733 5 40 IFBB Cc1cc2oc(=O)cc(COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2cc1C 9588721 OZXMKKJLENCRMI-UHFFFAOYSA-N 436.376 2.657 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1 13856825 KCZSTMOPZYQNSH-JWWGGVBKSA-N 445.431 2.642 5 40 IFBB COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 16250176 NQDBKYCZZUYIFH-UHFFFAOYSA-N 427.866 2.824 5 40 IFBB O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(N2CCOCC2)cc1 30912037 PTGMMLMCAGSCTK-UHFFFAOYSA-N 439.516 2.582 5 40 IFBB CCn1c(CN2CCCCCC2=O)nnc1SC[C@@H](O)COc1cccc([N+](=O)[O-])c1 40024326 DLJPVAMFZGFJPO-INIZCTEOSA-N 449.533 2.641 5 40 IFBB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)n1 69453785 AEGPQUOQSIEWRL-UHFFFAOYSA-N 449.471 2.657 5 40 IFBB CCCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3cccc(C)c3nc21 2410687 OMWXFJSPQORYQO-UHFFFAOYSA-N 426.473 2.819 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3246883 SMDUUATVJGDPEA-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB COc1cn(CC(=O)Nc2cccc([N+](=O)[O-])c2)c(CSc2nccc(C)n2)cc1=O 10254986 GGKDLDVXSFAYEI-UHFFFAOYSA-N 441.469 2.795 5 40 IFBB CCOc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1 10272635 WVUDMFLAZKKSRQ-RTBURBONSA-N 431.470 2.601 5 40 IFBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 14270399 FRSWEBWRRMKTOZ-UHFFFAOYSA-N 442.238 2.831 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCCn3ccnc3)cc2)cc1[N+](=O)[O-] 21326015 SMKBGADNZYQPKT-UHFFFAOYSA-N 443.485 2.721 5 40 IFBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)N1C[C@@H](C)O[C@H](C)C1 9631395 NXVSQONMXNHOTG-UTUOFQBUSA-N 433.383 2.593 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)Nc1cc([N+](=O)[O-])ccc1F 9633270 INTNNKIKVXCMPS-UHFFFAOYSA-N 444.202 2.952 5 40 IFBB CCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 103628924 GTFLHBLLUIXMHL-DAFNUICNSA-N 434.452 2.695 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3OC)C2)cc1 10008496 GCAQVUAHJNLYSQ-CQSZACIVSA-N 449.485 2.651 5 40 IFBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 10255353 LICXWZGZCJKNGA-HNNXBMFYSA-N 430.486 2.550 5 40 IFBB Cc1c(Br)cc(S(=O)(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1[N+](=O)[O-] 95447977 SJQUNIKGRUBGRH-UHFFFAOYSA-N 439.251 2.647 5 40 IFBB COc1ccc(NC(=O)CN2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 12628752 VVLCLNFOQQJKBW-UHFFFAOYSA-N 427.486 2.974 5 40 IFBB Cc1ccc2c(c1)N(S(C)(=O)=O)C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)O2 30945853 AZTSRBOOPNPEDX-INIZCTEOSA-N 425.850 2.722 5 40 IFBB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C 408666218 GUFLOFBVTHNJNJ-UHFFFAOYSA-N 434.470 2.866 5 40 IFBB Cc1nn(CCCNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c(C)c1Br 2782440 AIRCOMOZPJDVPC-UHFFFAOYSA-N 427.303 2.581 5 40 IFBB CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 3362628 DKGJWMZCSVHIGI-UHFFFAOYSA-N 432.385 2.584 5 40 IFBB COc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1 222685230 NFDSSDNQAGAPLJ-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 224276018 OXFTWSHUKNWRIB-LFYBBSHMSA-N 445.497 2.588 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1cccs1 408651206 NGZATIJSTCFMSF-IYBDPMFKSA-N 439.449 2.848 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1Cl 12789981 HNCYIDYVPQDDJF-UHFFFAOYSA-N 425.894 2.559 5 40 IFBB Cc1cc2nc3c(=O)n(Cc4ccccc4)c(O)nc3nc2cc1NC(=O)C(F)(F)F 17247887 QJJKBIHZKXYEMQ-UHFFFAOYSA-N 429.358 2.903 5 40 IFBB COC(=O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc1 32768982 ZKPYQRRLAGXFAB-UHFFFAOYSA-N 449.485 2.596 5 40 IFBB Cc1csc2nc(COC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc(=O)n12 25211579 XJXYBRZPPNAIGS-UHFFFAOYSA-N 428.470 2.932 5 40 IFBB C[C@@H](OC(=O)C[C@@H]1Oc2ccccc2NC1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 14252888 YUIDUEGVRZSRQA-HWPZZCPQSA-N 433.804 2.908 5 40 IFBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1O 20153353 KGZXIRBDERVAHL-UHFFFAOYSA-N 430.442 2.726 5 40 IFBB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220423064 JACRUYJUNZARDM-HZPDHXFCSA-N 435.502 2.641 5 40 IFBB O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2ccc(Cl)cc2)CCOCC1 3166960 YTBDEZLOXLVEKH-LEWJYISDSA-N 434.940 2.905 5 40 IFBB NS(=O)(=O)c1cccc(CNC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 32824223 RHNRGZXEIAHXMR-UHFFFAOYSA-N 432.502 2.553 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(N(C)CCNC(=O)N(C)C)c([N+](=O)[O-])c2)c(C)c1 95456949 DCZGDTMOROIDIS-UHFFFAOYSA-N 449.533 2.720 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccncc1 103001492 UAYGTVYGYBHTMB-MEFGMAGPSA-N 445.479 2.618 5 40 IFBB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(OC)c([N+](=O)[O-])c3)o2)cc1OC 408714279 MTGMQPMOZVXSFN-UHFFFAOYSA-N 428.401 2.943 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c1 6444682 WFKPZWPZMZHCHV-UHFFFAOYSA-N 447.473 2.588 5 40 IFBB NS(=O)(=O)c1ccc(NCCC(=O)OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 9127246 NQQWDULXFFLTNE-UHFFFAOYSA-N 431.829 2.580 5 40 IFBB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 17095801 CDSICBSIPSRZPI-UHFFFAOYSA-N 428.470 2.761 5 40 IFBB COc1ccc2[nH]c3c([N+](=O)[O-])ccc(NCCN(C)C)c3/c(=N/CCN(C)C)c2c1 31852780 ZCZLOODDVPCOIS-UHFFFAOYSA-N 426.521 2.674 5 40 IFBB O=[N+]([O-])c1c(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc2ccccn12 32808512 PNKZRDSAUZNHQF-UHFFFAOYSA-N 439.856 2.546 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(F)cc1)N1CCC[C@H]21 217586113 WIQMGZPVMIKVIS-YSTOQKLRSA-N 437.427 2.877 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCOCc1ccccc1)S(C)(=O)=O 224854448 RDZWOEYYMFWMAG-UHFFFAOYSA-N 449.529 2.782 5 40 IFBB Cc1c(N(CC(=O)Nc2ccc(N3CCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224929119 ACUIZGNGBRFKEG-UHFFFAOYSA-N 432.502 2.908 5 40 IFBB Cc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)cc1[N+](=O)[O-] 409162991 KJJGSRLEQJLHSJ-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)cc1OC 3445855 BUCCYDITTZUWAP-NSHDSACASA-N 434.401 2.813 5 40 IFBB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=S)NC1CCCCC1 9136730 WGQMUNKIAHLKEJ-UHFFFAOYSA-N 429.568 2.749 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1ccccc1 17838108 DIKMEPIJUPGTNE-LWYYNNOASA-N 430.420 2.500 5 40 IFBB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@H]3C2=O)cc1 33821749 CSHCMAAIBIKRNH-MGKGBGQOSA-N 445.431 2.972 5 40 IFBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] 138820492 HGUNNVMYNIAOGB-UHFFFAOYSA-N 430.373 2.712 5 40 IFBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c(OC)c1 223772644 UVODKYSLAGDNQD-UHFFFAOYSA-N 448.457 2.791 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3C)C2)c1 408656082 IJBPUFUXBQIORA-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB Cc1ccccc1C(=O)NCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1C 409054402 JLYQAZBCYUXARO-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 3623156 QAJQAHFGMGSGFM-MRXNPFEDSA-N 438.458 2.585 5 40 IFBB Cc1cc(C)n(C[C@H](O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)n1 8721960 FIRFPICUOGEYIR-IBGZPJMESA-N 430.486 2.665 5 40 IFBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccccc1 12583899 NGNDWWMLCUJZTG-HNNXBMFYSA-N 434.408 2.503 5 40 IFBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(Cc4ccncc4)c3nc12 13465558 XEZFJRDAMSFSCW-UHFFFAOYSA-N 442.523 2.943 5 40 IFBB COc1ccc(CNC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 57475489 IMEIPQIXMWDJTE-UHFFFAOYSA-N 435.484 2.590 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCc2scnc2C)CC1 65553672 GHGKEIGFWGSPKL-UHFFFAOYSA-N 439.515 2.812 5 40 IFBB C[C@@]1(c2cccc(Br)c2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O 3593417 UKYUJOKSBXRQDV-SFHVURJKSA-N 447.245 2.763 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(O)C(F)(F)F 8763678 KOBVYOOJDQINFH-SLEUVZQESA-N 431.417 2.925 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])c1 9119730 CRGRGYVZTJQIIA-UHFFFAOYSA-N 447.513 2.984 5 40 IFBB O=C(c1cccs1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@]1(O)C(F)(F)F 9833273 KOBVYOOJDQINFH-TYNCELHUSA-N 431.417 2.925 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2O)CC1 12795343 NYVHVZIFUPZZCJ-AWEZNQCLSA-N 442.472 2.987 5 40 IFBB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 13856777 BTSWDBDDRKKMCS-MRXNPFEDSA-N 440.408 2.551 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 106535832 YUSCMPHGYDSGAM-LYXWCMDISA-N 446.463 2.643 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 9226148 XEYHWRRWPVFZJX-LLVKDONJSA-N 427.866 2.871 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 19643233 MQPSCMGSWACDLZ-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35855566 PNZBCPISBINHIY-FLFXDLLNSA-N 446.463 2.643 5 40 IFBB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@H]3C2=O)cc1 100204668 CSHCMAAIBIKRNH-RAZXTWSVSA-N 445.431 2.972 5 40 IFBB COc1cccc(-c2noc(CN(C)C(=O)COc3ccc([N+](=O)[O-])c(OC)c3)n2)c1 219829729 OZCAETQVINASFQ-UHFFFAOYSA-N 428.401 2.699 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 220417935 AZLZKWZNKHEGHF-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCCN21 248128208 VTQUSRNWSGYSPE-OKFYXZINSA-N 446.463 2.643 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408651224 NJFVPBILOXLOFC-IDPBPBMLSA-N 447.447 2.866 5 40 IFBB CC(C)Cn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1N1CCOCC1 26663960 GPOUGQUFHNYXFA-UHFFFAOYSA-N 435.506 2.838 5 40 IFBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399728 LIUCDDYBCBCMGW-CQSZACIVSA-N 438.375 2.625 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 70637635 QMSMZZTZLVUPLI-UHFFFAOYSA-N 425.470 2.563 5 40 IFBB CC(C)[C@@H](NC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)c1nnc2ccccn12 78729459 PITYYYGLAUJITL-LJQANCHMSA-N 438.444 2.839 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSC1CCCC1)S(C)(=O)=O 223568798 GYQRZONIMLXPLS-AWEZNQCLSA-N 429.564 2.850 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)Nc1cccc([N+](=O)[O-])c1 408657983 KKWVBBNQEWAKME-OALUTQOASA-N 449.419 2.846 5 40 IFBB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 8442862 OOGANFKHBATHCR-MRXNPFEDSA-N 431.470 2.628 5 40 IFBB biogenic CCOC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773227 SDYZUEWDHFLMNX-UHFFFAOYSA-N 438.458 2.679 5 40 IFBB Cn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc(F)cc1 409138507 CWZHHCRFTYUPBG-UHFFFAOYSA-N 444.448 2.523 5 40 IFBB CC(=O)Oc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(OC(C)=O)c1OC(C)=O 3241099 OWTOYOWXTFCCFD-UHFFFAOYSA-N 431.353 2.728 5 40 IFBB O=c1nc2c3cc(I)ccc3nc(O)n2nc1-c1ccc(F)cc1 71924188 OTIJYHQYDWKWAH-UHFFFAOYSA-N 434.168 2.754 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCCc1ccc(F)cc1)S(C)(=O)=O 220393096 OCHMDAOJKVVYEB-OAHLLOKOSA-N 437.493 2.946 5 40 IFBB Cc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 10317742 SRMCOKGLZRDYFG-UHFFFAOYSA-N 440.861 2.902 5 40 IFBB COc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 16920593 SPYPGJTXGMXGOQ-PXNMLYILSA-N 429.410 2.984 5 40 IFBB CC(C)CN1C[C@@H](C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)CC1=O 29758812 AVLIZBPMJRWTJA-AWEZNQCLSA-N 442.438 2.767 5 40 IFBB O=C(c1cccc(C(F)(F)F)c1)N1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1 40153748 JJKDOGZPKPGQKC-UHFFFAOYSA-N 447.373 2.584 5 40 IFBB Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)c1[N+](=O)[O-] 3279770 PHQLWQDDNLYLMG-UHFFFAOYSA-N 427.383 2.902 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 9350770 WAPMDJIAMPNFDS-AGFSROSKSA-N 446.463 2.643 5 40 IFBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cc([N+](=O)[O-])ccc21 17297114 QNVYJAWCSFZHCN-MRCUWXFGSA-N 443.437 2.686 5 40 IFBB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20153296 VGLWVRPEAXCCCJ-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1ccc([N+](=O)[O-])cc1 10186753 UZTLIVYPQTXMJI-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])c(C)c1 13098072 KLRTYJYZFHJWEE-CQSZACIVSA-N 449.485 2.646 5 40 IFBB Cc1cccc(CSCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 218305832 CKHALDZTDFEDES-UHFFFAOYSA-N 437.543 2.719 5 40 IFBB COC(=O)c1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222376834 IGAVIAOLYIHZIJ-UHFFFAOYSA-N 449.485 2.875 5 40 IFBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1[N+](=O)[O-] 3325192 PBXDADKNHLMWDU-UHFFFAOYSA-N 448.272 2.862 5 40 IFBB CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1ccc(C)c([N+](=O)[O-])c1)n2CCC 9507051 VJAIQZARMXPCDO-UHFFFAOYSA-N 443.460 2.670 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223676579 ZIOALXHOJRUBJG-INIZCTEOSA-N 429.473 2.844 5 40 IFBB CCOc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 408594754 OZNVVKHJJMBYHU-CXUHLZMHSA-N 441.396 2.550 5 40 IFBB CCCCn1/c(=N\C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102663656 HMLYNSHDDHJYNW-MEFGMAGPSA-N 445.479 2.762 5 40 IFBB CC(C)(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223683751 GXLKDEACDSVNPM-UHFFFAOYSA-N 449.529 2.854 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccc(Cl)cc1)S(C)(=O)=O 224057836 WQJMOGUMZDNQTP-UHFFFAOYSA-N 441.893 2.518 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 9125005 CCINJNGRORGXLN-NSHDSACASA-N 434.401 2.813 5 40 IFBB CCc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 139054982 RWCUNPIQMBAHQD-HNNXBMFYSA-N 441.440 2.701 5 40 IFBB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 245237778 WQAILTMKRZSTGC-LXZKKBNFSA-N 431.445 2.616 5 40 IFBB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)[C@@H]1C 9439843 MOEVTQPOSDPZHA-NFAWXSAZSA-N 447.517 2.972 5 40 IFBB CC[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521893 ZUZGVCZCDUBRDH-INIZCTEOSA-N 435.458 2.549 5 40 IFBB COC(=O)c1cc2c(O)c3cc(C(=O)OC)c(C(=O)OC)cc3c(O)c2cc1C(=O)OC 3843359 PDJVGYLJLNUKAB-UHFFFAOYSA-N 442.376 2.551 5 40 IFBB biogenic CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 22253009 PHJXPOYZOIPUEQ-UHFFFAOYSA-N 437.474 2.959 5 40 IFBB CCOC(=O)c1cc(Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc(C(=O)OCC)c1 12523359 NBEMHLQLKTVVCZ-UHFFFAOYSA-N 426.385 2.700 5 40 IFBB CC[C@@H](C(=O)Nc1cccc(C(C)=O)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547498 WZJMBHJRUPPADM-KRWDZBQOSA-N 449.485 2.989 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 3237424 HXMSAFQSNFJZFO-NSHDSACASA-N 434.401 2.813 5 40 IFBB Cc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(Nc2ccc3[nH]c(=O)[nH]c3c2)c1[N+](=O)[O-] 8856727 SMMUADHWLNFBDK-UHFFFAOYSA-N 433.388 2.520 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1N=CC=C[C@H]21 9332808 DIKMEPIJUPGTNE-WTGUMLROSA-N 430.420 2.500 5 40 IFBB CCOc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296691 HBMNESBZABKHHR-GOSISDBHSA-N 432.400 2.837 5 40 IFBB COC(=O)c1ccccc1C(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 12733984 GDGKDUVPGHHRHE-UHFFFAOYSA-N 427.457 2.747 5 40 IFBB COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-] 16099243 HKSANMDQZUDAEW-UHFFFAOYSA-N 429.458 2.948 5 40 IFBB C[C@@H](NC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1nnc2ccccn12 26276587 BHMMFGLEGBGKDG-CYBMUJFWSA-N 429.868 2.884 5 40 IFBB CNS(=O)(=O)c1ccc(NC[C@H](c2cccc(OC)c2)N2CCCC2)c([N+](=O)[O-])c1 13038931 FSXZRFPZKXYJHF-HXUWFJFHSA-N 434.518 2.761 5 40 IFBB C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 29888642 ZEEQPDSVCXEXMB-LLVKDONJSA-N 443.403 2.870 5 40 IFBB Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12554049 JHBBNOPUPODRBA-UHFFFAOYSA-N 443.895 2.584 5 40 IFBB CC(C)(C)c1cccc(OCC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 12824972 APIRBNYQLKLUJA-UHFFFAOYSA-N 449.529 2.903 5 40 IFBB COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] 16227698 WILVFOVSJXOOJL-UHFFFAOYSA-N 430.486 2.562 5 40 IFBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COc1cccc([N+](=O)[O-])c1 89459632 JAXWMBDXYSOIRD-UHFFFAOYSA-N 449.485 2.796 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc21)S(C)(=O)=O 222371109 VDAVRGAOWJMKTD-UHFFFAOYSA-N 433.486 2.739 5 40 IFBB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545343 UIDUQHYRNYGMIP-INIZCTEOSA-N 437.474 2.795 5 40 IFBB CC[C@@H](C(=O)Nc1nnc(SC)s1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223868832 LJERTVJMWCNVKX-NSHDSACASA-N 445.548 2.660 5 40 IFBB COc1ccccc1CCCNC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220416434 MTBMSPILNRMPIO-OAHLLOKOSA-N 435.502 2.507 5 40 IFBB O=C(Cc1ccccc1[N+](=O)[O-])NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 224358039 IVKYBCRDPRSYGL-UHFFFAOYSA-N 447.513 2.507 5 40 IFBB COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 12558569 ZRWWSVBAQDJUBW-UHFFFAOYSA-N 428.470 2.663 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 20802071 ZYBSJQKINYWSSO-MOPGFXCFSA-N 438.440 2.706 5 40 IFBB COc1ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc2c1 22998354 KTXVJACALXIIRZ-UHFFFAOYSA-N 432.458 2.785 5 40 IFBB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 71980580 WGKSXUKKMXHEIF-IBGZPJMESA-N 425.441 2.513 5 40 IFBB COc1ccc(C(=O)N2CCN([C@@H](CCC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 408611531 SWGNNPUAMMCAOZ-SFHVURJKSA-N 427.457 2.967 5 40 IFBB COc1ccc(C2(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CCOCC2)cc1OC 8743458 SXVAJFCQWNQPPJ-UHFFFAOYSA-N 445.428 2.998 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(C)cc1)N1CCC[C@H]21 13555997 XRFUZDGZJQPXTQ-RZXSNQJFSA-N 449.463 2.747 5 40 IFBB COc1ccc(CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)[C@H]2CCS(=O)(=O)C2)cc1 49622799 VOVPHAIAJHVWMF-INIZCTEOSA-N 443.481 2.914 5 40 IFBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1C 12853638 LMFQISFKCOQBMI-CQSZACIVSA-N 426.516 2.997 5 40 IFBB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C 13137157 PHABRXQBQLOGQH-UHFFFAOYSA-N 449.554 2.837 5 40 IFBB COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC 220235283 XFWGHMCGHOLRDF-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=CC=NN1[C@H]2C(=O)c1ccc(F)cc1 253487407 JYQKECMMEZRDPQ-FRYIKTPZSA-N 448.410 2.639 5 40 IFBB CCOC(=O)c1c(C[N+](C)(C)CCO)n(C)c2cc(Br)c(OC(C)=O)cc12 8934179 CXXFILIOZFZUIM-UHFFFAOYSA-N 442.330 2.612 5 40 IFBB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9416759 QQSKBTGGBUUMRR-KRWDZBQOSA-N 446.529 2.632 5 40 IFBB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C 9226149 XEYHWRRWPVFZJX-NSHDSACASA-N 427.866 2.871 5 40 IFBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(S(=O)(=O)C(F)F)cc1 9672012 YGRBGPPINQDJDY-UHFFFAOYSA-N 439.352 2.998 5 40 IFBB C[C@@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10913527 SFHYRFDTAYTUNV-SNVBAGLBSA-N 430.804 2.598 5 40 IFBB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422782 YALUAKKRCDMBFY-HZPDHXFCSA-N 435.502 2.641 5 40 IFBB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410938 IBBNRYILPXSLDU-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(=O)OC)CC3)c(O)n2n1 36673282 QRTDIDKOWDXLBU-INIZCTEOSA-N 445.501 2.941 5 40 IFBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 13843833 BLAHAWKZKFIJPL-GOSISDBHSA-N 437.416 2.526 5 40 IFBB O=C(NCc1ccccc1)[C@@H]1CSCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 24668442 DJYRIGOPJVBHKI-IBGZPJMESA-N 437.481 2.612 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 408652212 FVFFLVVAZLOMCL-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)c1 409104135 DYRJVNRFDMYMQA-VGOFMYFVSA-N 430.804 2.794 5 40 IFBB O=C(COC(=O)Cn1cc(C(F)(F)F)ccc1=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 15910685 FUFYULWVOXTWIP-UHFFFAOYSA-N 433.726 2.611 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515753 JTXYTYLGHHPJLM-SFHVURJKSA-N 449.485 2.955 5 40 IFBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1 6172307 SPXOOAUFOYBWSK-UHFFFAOYSA-N 438.893 2.582 5 40 IFBB O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 9986318 QJHJGARUACNUDK-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB CCN(CC)[C@@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 31195716 PHPGZENOUGLMOX-SFHVURJKSA-N 432.550 2.966 5 40 IFBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc(S(=O)(=O)N2CCCC2)c[nH]1 32842248 WXZRIOVEQACMDE-UHFFFAOYSA-N 426.882 2.633 5 40 IFBB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)C1 40089980 KZYRMONZGYHJMT-HNNXBMFYSA-N 432.502 2.740 5 40 IFBB COC(=O)c1ccc(CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)o1 107594614 IMBMFYVEMHHKRU-WCSRMQSCSA-N 432.366 2.940 5 40 IFBB CCOc1cccc(CNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220394761 DCPMSTAHBIDMJV-HNNXBMFYSA-N 435.502 2.773 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223631834 JTYROKHVSIGDRX-MRXNPFEDSA-N 429.473 2.844 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1cccs1 408651204 NGZATIJSTCFMSF-HOTGVXAUSA-N 439.449 2.848 5 40 IFBB CC1(C)CC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(c4ncccn4)C[C@H]32)C(=O)C1 9060703 PASMGLLBNNMJCV-SFHVURJKSA-N 435.484 2.581 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 20802121 IOTGKBWDFPBPKZ-RTBURBONSA-N 438.440 2.706 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 84773630 PVNQMSZPCHASQL-FQEVSTJZSA-N 435.502 2.909 5 40 IFBB C[C@H](C(=O)NCCSCc1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220404633 TZFCFWGZDMIDGE-OAHLLOKOSA-N 437.543 2.799 5 40 IFBB C[C@@H](OC(=O)N[C@@H](C(=O)O)c1ccc(C(=O)O)c(C(=O)O)c1)c1ccccc1[N+](=O)[O-] 1529040331 HEJYBLHNZFMIKT-RFAUZJTJSA-N 432.341 2.604 5 40 IFBB O=C(c1sccc1-n1cccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12933435 NUXJIYWTHCGNON-UHFFFAOYSA-N 446.510 2.594 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccncc1 18323309 YLSZPMKQUAIYKM-LHLOQNFPSA-N 431.452 2.543 5 40 IFBB COc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915360 KBQZNKGWZLRXRM-IIDMSEBBSA-N 439.346 2.707 5 40 IFBB Cc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)s1 9403518 GLYQFCSACXADQI-SNVBAGLBSA-N 425.850 2.918 5 40 IFBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 9462423 VYUYOKPPTOORRJ-UHFFFAOYSA-N 445.831 2.673 5 40 IFBB CCCCNC(=O)CCCn1c(=O)c2ccccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O 20152931 KZWPQGAEEZRXMJ-UHFFFAOYSA-N 438.484 2.816 5 40 IFBB COc1cc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCOCC2)c([N+](=O)[O-])cc1OC 23105775 XVWGJTUDYRVYAP-LJQANCHMSA-N 429.473 2.724 5 40 IFBB O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])s1 13513132 YKZQOBYHLIVXPS-GHRIWEEISA-N 425.470 2.552 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220401584 LHIRSQWIGAXYFP-ZDUSSCGKSA-N 435.458 2.565 5 40 IFBB CC[C@H](C(=O)NCc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534690 ZLVSOQAHMYEPNF-QGZVFWFLSA-N 435.502 2.773 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCOc1ccccc1C(C)C)S(C)(=O)=O 223772092 HCRXPXWSSQGBPN-UHFFFAOYSA-N 449.529 2.988 5 40 IFBB COC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 10213209 ZYRODJBPDAEDES-INIZCTEOSA-N 442.453 2.637 5 40 IFBB COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 16920697 QIOPJMNOVKKMEG-PXNMLYILSA-N 429.410 2.984 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCOCC1 214273532 OGVWSPKYXFKXEI-GZTJUZNOSA-N 443.437 2.750 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCCC1 9510256 SVAUOUBVIMTFAF-UHFFFAOYSA-N 425.869 2.750 5 40 IFBB CCc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102815890 YZHAQZXTTRKELF-FIXDAVPBSA-N 446.463 2.588 5 40 IFBB Cc1ccc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220393187 RQPCGQLXDNDJAQ-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB CC[C@H](C(=O)NCCSC(C)(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222547086 TZQCMEQPCKWHRX-CQSZACIVSA-N 447.579 2.796 5 40 IFBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccc1 409131045 MUSZJDCAGZLIQY-UHFFFAOYSA-N 440.485 2.867 5 40 IFBB COc1ccc(NC(=O)CN2C(=O)C(=O)c3cc(Br)ccc32)c([N+](=O)[O-])c1 14137313 UITMHKQHUOONEF-UHFFFAOYSA-N 434.202 2.534 5 40 IFBB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 20792564 XDASKUKOFJTJDC-TZMCWYRMSA-N 433.490 2.726 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 260953260 ZRSVXASAYBCBAH-CQSZACIVSA-N 447.513 2.736 5 40 IFBB Cn1c(=S)n(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c2ccccc21 13063475 RVINJGQWAIYPLM-UHFFFAOYSA-N 447.542 2.581 5 40 IFBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(=O)Nc1ccccc1Br 27975650 LMQUSRQAKUDKCR-UHFFFAOYSA-N 428.264 2.583 5 40 IFBB Cc1ccc(C(=O)N2[C@@H](C(=O)O)COC23CCN(Cc2ccccc2)CC3)cc1[N+](=O)[O-] 71980637 YCPAQARGPCXWQT-HXUWFJFHSA-N 439.468 2.821 5 40 IFBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2cc(OC)ccc2OC)c([N+](=O)[O-])c1 9586068 VYEGDYUESUDVNF-GFCCVEGCSA-N 425.463 2.669 5 40 IFBB NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCCC2 9715308 YHTZTTFISDVBBU-UHFFFAOYSA-N 430.486 2.723 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)c2cnc(NS(=O)(=O)c3ccccc3)s2)cc1 16491544 UWQOQLIGBVLDBY-UHFFFAOYSA-N 425.469 2.685 5 40 IFBB CCCSc1nnc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225731851 FCIIIDVGAXLNKC-SNVBAGLBSA-N 445.548 2.742 5 40 IFBB Cc1ccc(C)c(OCCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 9869145 PKGRVTCULLKWER-UHFFFAOYSA-N 447.513 2.514 5 40 IFBB O=C(Cn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)Nc1ccc(F)c([N+](=O)[O-])c1 13148155 WBJRTNDCAVSUTN-UHFFFAOYSA-N 442.794 2.922 5 40 IFBB CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 23078252 OMOYMCCFSVHTHJ-UHFFFAOYSA-N 436.472 2.953 5 40 IFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 35843250 XXWJWFMHFBTDCO-PLOUGOBLSA-N 446.463 2.643 5 40 IFBB O=C(Nc1cccnc1N1CCSCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 58150834 MAPTUKRCGCTBJT-UHFFFAOYSA-N 429.502 2.632 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222685144 FCZPABHPKXGYLG-UHFFFAOYSA-N 449.485 2.956 5 40 IFBB O=C(C[C@H]1C(=O)NC(=O)[C@]12CCCc1cc3c(nc12)CCCC3)Nc1cccc([N+](=O)[O-])c1 585152510 VMCKUUNAMGANSM-MHECFPHRSA-N 448.479 2.744 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1 10295799 KDNVGPBXRSKJOW-GOSISDBHSA-N 432.400 2.837 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 12847886 IDNRMIREQZSZMA-QGZVFWFLSA-N 446.529 2.627 5 40 IFBB Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2cc(F)ccc2[N+](=O)[O-])CC1 12881586 LIVRYFZLWGUDOJ-UHFFFAOYSA-N 444.463 2.512 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 20802068 ZYBSJQKINYWSSO-RBUKOAKNSA-N 438.440 2.706 5 40 IFBB CN1CCN(c2ccc(CNC(=O)Cn3c4ccccc4c(=O)c4ccccc43)cn2)CC1 24505806 KFSZZLKEPCBCDA-UHFFFAOYSA-N 441.535 2.618 5 40 IFBB CCN(Cc1cccc(F)c1)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36386377 JYVBPLNCUSZUNH-UHFFFAOYSA-N 436.509 2.697 5 40 IFBB O=C(NCc1cccc(CN2CCOCC2)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 40150125 NMAFRTQLGTWZTG-UHFFFAOYSA-N 438.528 2.960 5 40 IFBB CC(=O)CCc1ccc(OC[C@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1 58101790 NZEOEWPXHNQZDV-OAQYLSRUSA-N 439.468 2.817 5 40 IFBB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 95464836 OZTLRNJMDILQQN-IBGZPJMESA-N 432.820 2.668 5 40 IFBB CCOC(=O)[C@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 20802127 IOTGKBWDFPBPKZ-MOPGFXCFSA-N 438.440 2.706 5 40 IFBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 101409065 WOFRBXRXDAHTHO-RAJXRTJSSA-N 426.473 2.619 5 40 IFBB Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 408551233 GUWUAFCEAXPVOH-LLVKDONJSA-N 442.291 2.971 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2c(C)cccc2C)CC1=O 408669912 PMXANMRMFQUTLE-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 14019448 YCOCXLSHKAKJOG-CYBMUJFWSA-N 437.449 2.782 5 40 IFBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 16283157 IWMFVPBCBPHWCC-UHFFFAOYSA-N 431.499 2.863 5 40 IFBB O=[N+]([O-])[C@@H]1[C@H]2C[C@@](O)([C@H]3OC[C@H]2O3)[C@@H]([N+](=O)[O-])[C@@H]1c1c2ccccc2cc2ccccc12 247713211 LLLJJWPPOSOWRF-AQVUTYMZSA-N 436.420 2.873 5 40 IFBB COc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])cc1 408654295 BEUFZYJTAHNQEI-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB COC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)c1 409130175 LYQPYUGCZRLOHT-UHFFFAOYSA-N 427.442 2.908 5 40 IFBB CCOc1ccc(C(=O)N2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 95469755 ZVEZVHMWRZHRRO-UHFFFAOYSA-N 427.457 2.793 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 113889601 ASZULMTZBYZEIN-UHFFFAOYSA-N 445.247 2.646 5 40 IFBB O=C(O)[C@H]1CS[C@@H](c2ccc(Sc3nnnn3-c3ccccc3)c([N+](=O)[O-])c2)N1 408990025 JSCZCZHJASCGHL-DOMZBBRYSA-N 430.471 2.510 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C1CC1 103629307 IIJQULBBTJVEFQ-QYQHSDTDSA-N 442.475 2.712 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(F)c(F)c1)S(C)(=O)=O 220451666 NOOIWGYQWCJIRB-SNVBAGLBSA-N 429.401 2.675 5 40 IFBB Cc1cccc(OCCNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224854096 LGOPNLWUSNJLTP-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB CCS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc2c(c1)OCO2 408702068 AYOQQXUSQOVQRF-UHFFFAOYSA-N 441.849 2.772 5 40 IFBB COc1ccccc1N1C[C@H](C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)CC1=O 9128454 ZTSRMNDQISBJHA-CYBMUJFWSA-N 428.397 2.566 5 40 IFBB COc1ccc(OC)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220381627 CLWCZRHYYOGDOL-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] 1562004303 RNKUMQIYGNZHBI-CYBMUJFWSA-N 449.551 2.611 5 40 IFBB CCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])CC1 8831678 FYVMIJQNUWQOST-UHFFFAOYSA-N 441.513 2.780 5 40 IFBB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222529093 ILDWLEXEGAMCEQ-ZDUSSCGKSA-N 435.864 2.799 5 40 IFBB CCOC(=O)C(=O)Nc1sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1C(=O)OC 6544837 RJHDBUKBZGYCHB-UHFFFAOYSA-N 435.414 2.505 5 40 IFBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 13576310 ACAMOXOLVGNROB-MRXNPFEDSA-N 425.444 2.948 5 40 IFBB COc1cc(OC)cc([C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c2nccn2C)c1 32301416 LRGHFFLKEJTUFT-GOSISDBHSA-N 436.428 2.741 5 40 IFBB O=C(CCC1CCCC1)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 32829711 YWSVROJEARTEPW-UHFFFAOYSA-N 444.532 2.686 5 40 IFBB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 48279258 VQYNBDWZZAKRMS-LBPRGKRZSA-N 431.836 2.859 5 40 IFBB CC[C@H](C(=O)NC)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223497133 JRUFSNBXCCYVJG-GOSISDBHSA-N 429.473 2.578 5 40 IFBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225087900 GTBXRGIMYYZBRS-UHFFFAOYSA-N 437.430 2.878 5 40 IFBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1 5049007 DWYWYUISCFNJMR-KZNAEPCWSA-N 446.368 2.647 5 40 IFBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 9662966 FFUPXIDPNRNCMD-UHFFFAOYSA-N 426.473 2.917 5 40 IFBB CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])n1 16753755 JYSHIVGZTVJDDR-UHFFFAOYSA-N 428.854 2.873 5 40 IFBB O=C(c1ccc2ccccc2n1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 20437054 MNBVWZOZXULHCN-UHFFFAOYSA-N 447.495 2.942 5 40 IFBB COc1ccc(OCCN2CCN(Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)cc1 48310318 XDMAWPGGLIAYJS-UHFFFAOYSA-N 439.472 2.850 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 138549835 OAPWBEVNPXSYPL-CQSZACIVSA-N 427.413 2.528 5 40 IFBB COc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222369669 UMRIHGYTTKRLKZ-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 9491922 KBGAPHSMRQXZHK-UHFFFAOYSA-N 439.515 2.879 5 40 IFBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1 32926758 XRFYJLZKYWVDRC-JOCHJYFZSA-N 435.484 2.892 5 40 IFBB CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)O 207564932 MLWRVKIJFVUCNO-OAHLLOKOSA-N 425.438 2.969 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1[N+](=O)[O-] 408653932 QDPOCLUHDLNFFA-AWEZNQCLSA-N 427.369 2.590 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccnc1 101177205 AFXRFDMQEFHGTK-LHLOQNFPSA-N 431.452 2.543 5 40 IFBB CCOc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCCCC1 408608904 XLOVMUQRELTKSA-VQHVLOKHSA-N 444.444 2.756 5 40 IFBB CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408646572 PZSAORBVCUWOAF-HNNXBMFYSA-N 441.440 2.701 5 40 IFBB Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] 408656270 NBBWHHDVYQGVHM-WBVHZDCISA-N 425.441 2.995 5 40 IFBB Cc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2cccc([N+](=O)[O-])c2)n1C 409123323 FNOVLCYHSZSEPP-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)S(C)(=O)=O 22367490 ZDBANQWCUFBBMV-HNNXBMFYSA-N 435.502 2.864 5 40 IFBB COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 220027796 DVRJZOZUMMTWMT-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041157 ZTVDZIIPEFFWDL-UHFFFAOYSA-N 443.821 2.915 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cc(C)cc(C)c3)C2)c1 408652214 FVFFLVVAZLOMCL-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]2[C@]2(C)C[C@H]3CC(C)(C)C2)C1=O 9122750 WOFRBXRXDAHTHO-FVMLFMEYSA-N 426.473 2.619 5 40 IFBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2 32126433 FLAYTLYXJVPZSF-UHFFFAOYSA-N 448.888 2.814 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCn4nc(C)nc4C3)c([N+](=O)[O-])c2)c(C)c1 72312239 IAFXMTOYZMUGJL-UHFFFAOYSA-N 442.501 2.933 5 40 IFBB CN(Cc1ccccc1F)C(=O)CN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 95941517 YWJLLAGQGUKPGS-UHFFFAOYSA-N 440.479 2.781 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCCC2=O)cc1 9465641 GZSFLQPRJWLCBU-ZDUSSCGKSA-N 427.413 2.914 5 40 IFBB O=C(CSc1nc(=O)n(C[C@H]2CCCO2)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 10255418 ZCDWDAJXNOQYAW-CYBMUJFWSA-N 448.476 2.689 5 40 IFBB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCCC2)cc1[N+](=O)[O-] 12799513 RLKMJKHRRUPKIB-FQEVSTJZSA-N 429.498 2.641 5 40 IFBB COc1ccc(NC(=O)N2CCN(Cc3ccc(OC)c(OC)c3)CC2)c([N+](=O)[O-])c1 23392510 RYYGYIXEEBXIAR-UHFFFAOYSA-N 430.461 2.970 5 40 IFBB COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)c([N+](=O)[O-])c1 24990412 APBCZMIJYMYDOB-UHFFFAOYSA-N 440.503 2.512 5 40 IFBB COC(=O)c1ccc2c(=O)[nH]c(COC(=O)c3ccc(SC)c([N+](=O)[O-])c3)nc2c1 9961189 BYUFAJWUJBURQI-UHFFFAOYSA-N 429.410 2.697 5 40 IFBB CC(C)OCCCNC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 12466362 CEGFZGNVRFUVJU-GOSISDBHSA-N 435.864 2.765 5 40 IFBB O=[N+]([O-])c1ccc(Sc2nc(-c3ccncc3)n[nH]2)c(S(=O)(=O)N2CCCC2)c1 12785962 AJOFXWTVJSSFSY-UHFFFAOYSA-N 432.487 2.711 5 40 IFBB CC(C)CNC(=O)NC(=O)[C@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32888214 VETYKOCGNSMJLU-ZDUSSCGKSA-N 445.442 2.606 5 40 IFBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC 3411221 QJLSYMSMDSZSSK-LLVKDONJSA-N 431.401 2.754 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 10186843 CXGNVFXNTZPQKZ-UHFFFAOYSA-N 425.488 2.704 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 30571532 YOOAMRMCTSZKDX-CQSZACIVSA-N 437.522 2.651 5 40 IFBB COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 32916266 IUXQZQXJEMYDGA-KRWDZBQOSA-N 429.864 2.932 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222515403 QTIGRIXGRBYJNB-GOSISDBHSA-N 449.485 2.955 5 40 IFBB COc1ccc(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cc1[N+](=O)[O-] 95939690 ZTGGWWATOXKGIB-UHFFFAOYSA-N 440.416 2.740 5 40 IFBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(OC)c(C)c1 224100043 ZOEQDVMPMQSLKQ-GOSISDBHSA-N 435.502 2.945 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1cccc([N+](=O)[O-])c1 408655624 HWCLVYRYQVNIFE-RTBURBONSA-N 449.419 2.846 5 40 IFBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1 409322354 JKPBJIDTLJRPKE-VQHVLOKHSA-N 445.409 2.743 5 40 IFBB O=[N+]([O-])c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 3178933 UHBFQKRQNSHARN-LEWJYISDSA-N 429.493 2.923 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(OC)c(OC)c(OC)c1 3237425 HXMSAFQSNFJZFO-LLVKDONJSA-N 434.401 2.813 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 3251193 UURCWUNJCOVCKQ-WHEQGISXSA-N 438.440 2.714 5 40 IFBB Cc1ccc(C(=O)N2CCN(C(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)cc1 9290311 YSHVTZMRCAQIDR-UHFFFAOYSA-N 425.470 2.814 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(N(C)Cc3cccc(Cl)c3)c([N+](=O)[O-])c2)CC1 12554362 KMGMMYYHVKUZLD-UHFFFAOYSA-N 438.937 2.821 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)s1 12824400 HKHGMPGCHCCPJB-OAHLLOKOSA-N 435.527 2.955 5 40 IFBB O=C(Oc1cc([N+](=O)[O-])ccc1I)c1ccc(-n2ccnn2)cc1 97166026 KCDBWTTYUVPNEY-UHFFFAOYSA-N 436.165 2.999 5 40 IFBB COC(=O)CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)N(C)C1=S 409215191 YGDTULIYBRXJBK-WQRHYEAKSA-N 441.465 2.747 5 40 IFBB COc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])n2N)cc1 9544506 QBDVMMUOJBUOIC-UHFFFAOYSA-N 434.865 2.960 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 33019105 DHIQTOGNLMDXKF-GJZGRUSLSA-N 433.486 2.953 5 40 IFBB CN(C(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CCCCC1 2649136 AREYBSRCRCLXJF-UHFFFAOYSA-N 433.490 2.822 5 40 IFBB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1C 8922377 BSUOVGJYRNTLOU-UHFFFAOYSA-N 449.485 2.789 5 40 IFBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20153305 INIWSCKAUOSZGU-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB COc1ccccc1N1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@H]21 32640673 OEXDRIWUCQPADP-DOTOQJQBSA-N 433.511 2.878 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 408573862 PDMNZJBMUPGXLA-UHFFFAOYSA-N 428.401 2.642 5 40 IFBB CCc1ccccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(OC)ccc2[N+](=O)[O-])CC1=O 408646574 PZSAORBVCUWOAF-OAHLLOKOSA-N 441.440 2.701 5 40 IFBB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1OC 408714819 XFAPLGLPJPTJNE-UHFFFAOYSA-N 443.372 2.842 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCCOc1ccc(Cl)cc1 9495322 ZTOZWDUEQHLEHD-UHFFFAOYSA-N 442.877 2.727 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@@H]1Sc2ccccc2NC1=O 14068271 QKJDMUSOXMHNQH-GTNSWQLSSA-N 445.453 2.977 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@H]2C1=O 16000289 KXONZDYINQEQJK-LUCIHVKJSA-N 446.463 2.643 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)NCc1ccc2c(c1)OCO2 16045743 YPAWHIZCMPDWMF-UHFFFAOYSA-N 441.440 2.787 5 40 IFBB CCOc1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17096906 FYKUNRNYABNCEX-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(F)c1 225119063 ZWTHHLRYXUARDP-UHFFFAOYSA-N 432.813 2.764 5 40 IFBB COc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 1464500 KBQZNKGWZLRXRM-RVKKMQEKSA-N 439.346 2.707 5 40 IFBB COCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 13464951 CYSBJHDLHGYAGH-QGZVFWFLSA-N 445.523 2.965 5 40 IFBB CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)Oc2ccc(Cl)cc21 38853981 HJXJASPYPWQQOH-INIZCTEOSA-N 425.850 2.804 5 40 IFBB CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 57093132 CZSYZRQHFXTJIK-UHFFFAOYSA-N 433.516 2.926 5 40 IFBB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1=O 9916528 UDDFQUJQMAUDJY-ZDUSSCGKSA-N 432.864 2.838 5 40 IFBB C[C@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 12522911 NHBONCSEFOQDDJ-HNNXBMFYSA-N 445.447 2.774 5 40 IFBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 16045726 GEHPGOQXISJFBY-UHFFFAOYSA-N 425.441 2.716 5 40 IFBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 28050084 XAOCPFQTZMAJMZ-OAHLLOKOSA-N 427.866 2.619 5 40 IFBB O=c1c2ccc3c(=O)n(Nc4ccccc4)c(=O)c4ccc(c(=O)n1Nc1ccccc1)c2c34 103756374 GSGPCWQRHWOLEG-UHFFFAOYSA-N 448.438 2.816 5 40 IFBB COc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1 408649877 LRCRBHKHGZYDHR-CQSZACIVSA-N 439.424 2.771 5 40 IFBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2cccc([N+](=O)[O-])c2)nn1 2087126081 HISMJMGQZYPIMH-UHFFFAOYSA-N 441.444 2.537 5 40 IFBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 9884947 PDWWXHVEJRNAKL-UHFFFAOYSA-N 434.474 2.511 5 40 IFBB COc1ccc([C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 32900203 OHGLCPSMUZAWKW-NRFANRHFSA-N 428.489 2.595 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 38771380 IBYSWFOZADZLKB-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(OC)c1)S(C)(=O)=O 220620856 MIFIPYANPWDQQQ-QGZVFWFLSA-N 437.474 2.795 5 40 IFBB COC(=O)c1cn(C(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc12 222632888 MAEUCKDOPUKWTN-CYBMUJFWSA-N 445.453 2.831 5 40 IFBB C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224930394 LCMZURXWBRABHZ-HNNXBMFYSA-N 432.502 2.988 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1n[nH]c(=O)n1Cc1ccccc1 16046894 SUTNMOQGGRZWFU-LBPRGKRZSA-N 429.458 2.656 5 40 IFBB COc1cccc(-n2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)c1 40398895 VIQKRXLZJQYRAJ-UHFFFAOYSA-N 432.465 2.538 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102332023 RKENISGMPWTCEK-AJNGGQMLSA-N 431.426 2.725 5 40 IFBB Cc1c(N(CC(=O)NCCSCc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220026096 LIMOVRWLEVLUDO-UHFFFAOYSA-N 437.543 2.719 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 225558277 FTYOBOOGAKSYDS-UHFFFAOYSA-N 449.470 2.816 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccc1Cl 15360713 ANTFGCPJFKCZAD-UHFFFAOYSA-N 437.905 2.690 5 40 IFBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)nc12 15391525 QULDHHLDFUYEJH-UHFFFAOYSA-N 425.419 2.765 5 40 IFBB CCSc1nnc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 223140946 JEHPCWMYWHQCAR-UHFFFAOYSA-N 445.548 2.743 5 40 IFBB O=C(CCCN1C(=O)c2ccccc2C1=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 3413121 RLLMXKGQQCQKJW-UHFFFAOYSA-N 436.380 2.764 5 40 IFBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 100982806 KMWBBQOLMNGCIL-NVXWUHKLSA-N 442.815 2.546 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)c1cc(C)cc(C)c1 2494503 MGBVVVMSDVIDIB-QLYXXIJNSA-N 430.464 2.721 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 104122995 DIKMEPIJUPGTNE-HAGHYFMRSA-N 430.420 2.500 5 40 IFBB Cn1c(=O)[nH]c(=O)c2c1nc(SCc1ccc([N+](=O)[O-])cc1)n2CCc1ccccc1 647507 OQALOHUQBDLQBP-UHFFFAOYSA-N 437.481 2.867 5 40 IFBB COc1ccc(Cl)cc1N1C[C@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])CC1=O 9916527 UDDFQUJQMAUDJY-CYBMUJFWSA-N 432.864 2.838 5 40 IFBB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1 13112733 ZIEAYLUTQOBAOX-UHFFFAOYSA-N 434.470 2.866 5 40 IFBB COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c([N+](=O)[O-])cc1OC 32999400 DWFSSHBKVJIACE-UHFFFAOYSA-N 435.458 2.649 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1 139004860 BULPOGIRZDWNSP-LRGYGIHKSA-N 445.431 2.642 5 40 IFBB COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@H]3COc4ccccc4O3)CCCC2)cc1 3178065 LQKKHSYOGFXJLD-YADHBBJMSA-N 442.532 2.801 5 40 IFBB Cc1ccc(OC[C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220037192 AXOGNRXJFZQZKE-OAHLLOKOSA-N 435.502 2.561 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222515461 QTIGRIXGRBYJNB-SFHVURJKSA-N 449.485 2.955 5 40 IFBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1Cl 409113314 AHWPLYAZIULQKF-UHFFFAOYSA-N 443.865 2.670 5 40 IFBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc([N+](=O)[O-])c1 3623154 QAJQAHFGMGSGFM-INIZCTEOSA-N 438.458 2.585 5 40 IFBB O=C(CSc1nc(=O)n(Cc2ccccn2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 10186758 CCGBVMYVISFGGB-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(NS(=O)(=O)c2cccs2)CC1 11450641 PLKGDKMPHVISLB-UHFFFAOYSA-N 429.907 2.893 5 40 IFBB CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC(C)C 12781488 PNPIFBDURTWLNT-GOSISDBHSA-N 442.582 2.784 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224791511 RZHPUOORVMPOEW-UHFFFAOYSA-N 443.821 2.833 5 40 IFBB CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408597677 VTAZQCJQKCQFRD-NSHDSACASA-N 427.866 2.952 5 40 IFBB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] 15882754 BYRAHXHULOHBOL-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c([N+](=O)[O-])c1 19643227 DXOZANGTEHLSLS-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB COCCCn1c(C)cc(C(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1C 21420881 YPLXNKPLWDGXNH-UHFFFAOYSA-N 432.429 2.861 5 40 IFBB CCOc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])cc1OC 24136922 FSEZANLCDVOJEZ-UHFFFAOYSA-N 441.484 2.895 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=CC=NN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 103562156 DGYSWVQUMJOIOE-NMLBUPMWSA-N 448.410 2.639 5 40 IFBB O=C(Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9086864 SIBFSSMFEIIDJC-UHFFFAOYSA-N 435.418 2.932 5 40 IFBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 9906167 ZUHTXGWLAICDKS-UHFFFAOYSA-N 440.456 2.611 5 40 IFBB CCCc1ccc(OCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224059376 PGYWCCUMBRKFSZ-UHFFFAOYSA-N 449.529 2.817 5 40 IFBB CCS(=O)(=O)N1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 10009255 XUMSWCGCJQTEGY-INIZCTEOSA-N 425.850 2.804 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220417732 QDWAGYCBXMCMMY-CYBMUJFWSA-N 435.458 2.565 5 40 IFBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523535 PFJGNAVUMHLLGP-KRWDZBQOSA-N 436.446 2.995 5 40 IFBB COCCn1ccc2cc(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)ccc21 888088634 JQZFZOOSWKNFQB-QAPCUYQASA-N 436.468 2.617 5 40 IFBB CCn1ncc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c1C(=O)N(C)C 2809562 MSGVDFXGCDQFPX-UHFFFAOYSA-N 445.867 2.664 5 40 IFBB Cc1nnc(NC(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)s1 9240874 FSCKLZNPHGUEBF-UHFFFAOYSA-N 428.459 2.590 5 40 IFBB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 12562253 BEPZKLTXWYZQQA-SFHVURJKSA-N 439.516 2.511 5 40 IFBB C[C@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 38828428 LCOBDVHVBIWIHU-ZOWXZIJZSA-N 440.460 2.510 5 40 IFBB O=[N+]([O-])c1ccc(NCCN(CCO)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 49723193 VWPMVENNPHNOSA-UHFFFAOYSA-N 425.785 2.975 5 40 IFBB N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 100609171 PBKJLIOLQBMPLC-UHFFFAOYSA-N 425.448 2.700 5 40 IFBB CNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222780373 BMPBYFAOJWOOFE-OAHLLOKOSA-N 431.514 3.000 5 40 IFBB Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2 604503753 OIAHBBYIYASRGB-KRWDZBQOSA-N 429.498 2.893 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 33019100 DHIQTOGNLMDXKF-HUUCEWRRSA-N 433.486 2.953 5 40 IFBB CCCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 100755822 MPQXETCPRHQGMW-UHFFFAOYSA-N 445.523 2.910 5 40 IFBB biogenic CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220401510 LHIRSQWIGAXYFP-CYBMUJFWSA-N 435.458 2.565 5 40 IFBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC(=O)c1ccccc1Br 3410354 OIYXRPDCSSLVQY-NSHDSACASA-N 435.230 2.902 5 40 IFBB Cn1c(SCCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1cccnc1 8843945 JMMRVGLLYLDWOD-UHFFFAOYSA-N 448.530 2.783 5 40 IFBB Cc1cc(C(=O)NCC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)ccc1[N+](=O)[O-] 15027053 AWBCUVDNRHKDEG-OAQYLSRUSA-N 427.457 2.918 5 40 IFBB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1ccc([N+](=O)[O-])cc1Br 15085531 URMHWEAMLINOSQ-OLZOCXBDSA-N 447.289 2.577 5 40 IFBB CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20105326 SUAQZGPXXCKLTJ-QGZVFWFLSA-N 435.502 2.945 5 40 IFBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225112097 BGQGYJXMJFROFT-UHFFFAOYSA-N 442.421 2.510 5 40 IFBB C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 12631731 YLQNQKWUERIZDR-ZDUSSCGKSA-N 440.472 2.982 5 40 IFBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 58162217 KFTXATPSIORLRA-UHFFFAOYSA-N 428.426 2.990 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccc(F)cc1 253487406 JYQKECMMEZRDPQ-BTHPGYMESA-N 448.410 2.639 5 40 IFBB CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1 2763563 ZBQULHFWTZVOBH-UHFFFAOYSA-N 445.457 2.873 5 40 IFBB CCc1ccccc1N1C[C@H](C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O 11080946 OGGBLCZFZHQLOU-QGZVFWFLSA-N 441.484 2.886 5 40 IFBB CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 16250142 LJFBDVKGRCNIKO-UHFFFAOYSA-N 431.499 2.863 5 40 IFBB CCOC(=O)c1cc(C(=O)N2CCC(C(=O)Nc3ccncc3)CC2)cc([N+](=O)[O-])c1 24703389 RNPDRUNWOAJZSX-UHFFFAOYSA-N 426.429 2.657 5 40 IFBB O=C1N/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1F 409098035 JWUTUMYLTUYSPK-PDGQHHTCSA-N 426.404 2.663 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1[N+](=O)[O-] 408671217 TUTAZZUVPMXDCQ-AWEZNQCLSA-N 437.408 2.515 5 40 IFBB Cc1cc(C)n(C[C@@H](O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)n1 8721961 FIRFPICUOGEYIR-LJQANCHMSA-N 430.486 2.665 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3C[C@@H]3CCCO3)c(=O)n2c1 15952822 FMPSNIMYLNQIRZ-KRWDZBQOSA-N 435.528 2.679 5 40 IFBB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cc([N+](=O)[O-])ccc1N1CCOCC1 19641405 HOYSPASQVCUBFE-UHFFFAOYSA-N 444.557 2.860 5 40 IFBB O=C1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)c2c(nc(Nc3ccc(F)cc3)[nH]c2=O)N1 40399726 BXWJDFVZYPXCED-AWEZNQCLSA-N 438.375 2.625 5 40 IFBB COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)cc([N+](=O)[O-])c1O 409350159 SZVDAEDCRSXVRJ-OQLLNIDSSA-N 435.458 2.604 5 40 IFBB Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])s2)c(=O)n(-c2ccccc2)n1C 2617141 VTUYVKHRYKFKCV-LBPRGKRZSA-N 430.442 2.638 5 40 IFBB CCOC(=O)[C@@H](C)Sc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 9368372 WJNCHFJMPHIIBY-MRVPVSSYSA-N 442.475 2.760 5 40 IFBB O=C(CSc1nc(=O)n(Cc2ccncc2)c2c1CCC2)Nc1cccc([N+](=O)[O-])c1 15882782 ULMHDVXZFOSPRH-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17097446 WGIRCTSYMBRFLY-UHFFFAOYSA-N 431.430 2.936 5 40 IFBB COc1ccc(S(=O)(=O)Nc2ccc(-n3nc(C)cc3NC(C)=O)cc2)c([N+](=O)[O-])c1 32833612 ONTPWHHWZWKGKV-UHFFFAOYSA-N 445.457 2.857 5 40 IFBB Cc1c(NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)cccc1[N+](=O)[O-] 38860259 ZILCYCLFSXMFKR-INIZCTEOSA-N 425.850 2.722 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 33676473 KXONZDYINQEQJK-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CCCN1[C@@H]2C(=O)c1ccc(F)cc1 217586205 WIQMGZPVMIKVIS-ZRNYENFQSA-N 437.427 2.877 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1cccc(Br)c1 9704136 SDWMTYBDBDYASO-UHFFFAOYSA-N 439.218 2.927 5 40 IFBB O=C(Cn1cc(I)cn1)Nc1nc2ccc([N+](=O)[O-])cc2s1 12375213 DCUPTJUKMIZENS-UHFFFAOYSA-N 429.199 2.644 5 40 IFBB CSc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cc1[N+](=O)[O-] 12987554 VRYIGDPBQRQJEC-GOSISDBHSA-N 443.481 2.583 5 40 IFBB COC(=O)c1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 14826567 MHXBAALYYQTFAI-UHFFFAOYSA-N 447.450 2.923 5 40 IFBB CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 72289319 VQDYAAZMVMGBLN-MRXNPFEDSA-N 429.456 2.777 5 40 IFBB O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 9833272 WXAQPJPABGAKLU-JMSVASOKSA-N 431.417 2.925 5 40 IFBB CCCC[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 408663797 OWLWMMYUZMSGET-SFHVURJKSA-N 439.424 2.932 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(F)c(F)c1F 3541188 NKCREPDKYNWUOB-JTQLQIEISA-N 440.378 2.918 5 40 IFBB CC(C)[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])N1CCN(C)CC1 12527504 BZOHNHOUUBAXQW-MRXNPFEDSA-N 438.472 2.572 5 40 IFBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 103064868 GYYPUIVELSQNGM-YFHUEUNASA-N 431.489 2.529 5 40 IFBB COc1ccc(CN(C)C(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220377671 YIINEBYBHRSBRZ-OAHLLOKOSA-N 435.502 2.725 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N[C@H]1CCCc2ccccc21 9963928 DDJMDHHVKPKSHF-FQEVSTJZSA-N 439.468 2.782 5 40 IFBB O=C(Cn1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])o1)CSC2)NCc1ccccc1 23139464 UKNCHSIGTMVQRO-UHFFFAOYSA-N 427.442 2.700 5 40 IFBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cc(F)ccc1OC 39986378 QTXXKABYJPOIIC-UHFFFAOYSA-N 425.438 2.700 5 40 IFBB COc1cc2c(cc1OC)CN([C@H]1CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C1=O)CC2 102332199 SXDSPKMFYHTOEW-SFHVURJKSA-N 425.441 2.611 5 40 IFBB Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1[N+](=O)[O-] 408656259 NBBWHHDVYQGVHM-DOTOQJQBSA-N 425.441 2.995 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(OC(F)(F)F)cc1 9715883 IQNRCLGPUJDBMP-UHFFFAOYSA-N 443.334 2.693 5 40 IFBB COc1cc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCN3C(C)=O)c([N+](=O)[O-])cc1OC 16812210 QMRIQBCGHKGQQG-GFCCVEGCSA-N 442.424 2.949 5 40 IFBB O=[N+]([O-])[C@H]1[C@H](c2c3ccccc3cc3ccccc23)[C@@H]([N+](=O)[O-])[C@@]2(O)C[C@H]1[C@H]1CO[C@H]2O1 247713215 LLLJJWPPOSOWRF-XTUQDRMESA-N 436.420 2.873 5 40 IFBB CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1 9144812 FOHIUTYCZXHOCN-STZFKDTASA-N 441.484 2.899 5 40 IFBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] 10255390 YYPWSKWIIQVEMS-ZDUSSCGKSA-N 430.486 2.550 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1CCN(Cc2ccc3c(c2)OCO3)CC1 13562861 WPIQRBJCALAPSY-MRXNPFEDSA-N 426.473 2.777 5 40 IFBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 408661652 BRKLIAAKBXJMOH-UHFFFAOYSA-N 430.373 2.794 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408676205 ALLMSQFDZHQZFE-SNHGZMDHSA-N 447.447 2.866 5 40 IFBB CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])n2c(cc(=O)[nH]c2=S)N1 8439382 NFCFJIGYTLIIAL-KPZWWZAWSA-N 444.469 2.825 5 40 IFBB CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 13382115 KOGKQDDNBIWGRO-YRPNKDGESA-N 443.412 2.846 5 40 IFBB O=C(NCCNC(=O)c1nc(-c2ccccc2F)no1)c1ccc(Cl)c([N+](=O)[O-])c1 21453999 ACFFMHBXFBQJGV-UHFFFAOYSA-N 433.783 2.597 5 40 IFBB CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 24528230 VYNOJLBEPCEPNO-HUUCEWRRSA-N 428.555 2.581 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220106441 BSRGNSURGAFTEJ-UHFFFAOYSA-N 437.474 2.795 5 40 IFBB CC(C)OCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409255168 KQAGDVPCIXUFQM-UHFFFAOYSA-N 435.502 2.721 5 40 IFBB COc1cccc(NC(=O)c2nn(C)c(C(=O)Nc3cccc(OC)c3)c2[N+](=O)[O-])c1 920313 CGXILUMFIAFJGL-UHFFFAOYSA-N 425.401 2.850 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@@H](C)c1ccc2c(c1)CCC2)S(C)(=O)=O 223179151 ZRSVXASAYBCBAH-AWEZNQCLSA-N 447.513 2.736 5 40 IFBB Cc1cc(OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCC1=O 408664076 NOOIIIVBKAIDSI-AWEZNQCLSA-N 437.408 2.515 5 40 IFBB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 3430878 AVEXZJBZHMYWNU-UHFFFAOYSA-N 441.444 2.677 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 8449316 KWVFKVANTBSHSG-RWFYYTQISA-N 446.415 2.946 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 9356614 FZBYWHNXSWVCDM-KRWDZBQOSA-N 438.889 2.843 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C 9974018 GUVWIDPORUHQFL-OAHLLOKOSA-N 433.486 2.951 5 40 IFBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 33462865 RNFRCQDJCBPMQI-UHFFFAOYSA-N 431.495 2.956 5 40 IFBB COCCN(c1cccc(Br)n1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C 96013502 FBDLUDKUQHJMGU-UHFFFAOYSA-N 430.280 2.902 5 40 IFBB Cc1ccccc1C(=O)NCc1nn(CC(=O)Nc2ccccc2[N+](=O)[O-])c(=S)n1C 409160490 YUXNFWQCKYAQLU-UHFFFAOYSA-N 440.485 2.736 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccccc1 18028765 DIKMEPIJUPGTNE-FUMNGEBKSA-N 430.420 2.500 5 40 IFBB O=C(CN(C(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408676203 ALLMSQFDZHQZFE-LVNJIZSUSA-N 447.447 2.866 5 40 IFBB COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 2357460 XFYNXBLVOZKKLH-KRWDZBQOSA-N 437.408 2.574 5 40 IFBB COc1cccc(N2CCN(C(=O)C3CCN(c4ccc([N+](=O)[O-])cn4)CC3)CC2)c1 20649607 SVKFVCUNJWDGEN-UHFFFAOYSA-N 425.489 2.564 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N\C(=O)[C@@H](CC)c1ccccc1 31936949 RJAOVZLJMXCRFM-UMNLNUJHSA-N 444.491 2.984 5 40 IFBB COC(=O)CN(c1ccccc1Br)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113875861 PTVZRXGUZGQLQR-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB CCOc1ccc(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222527985 PSAFUVNNDUDITN-IBGZPJMESA-N 435.502 2.855 5 40 IFBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)N1CCCCC1 2459583 WZJBWASRIQMSEQ-UHFFFAOYSA-N 432.527 2.894 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3251197 UURCWUNJCOVCKQ-XMHCIUCPSA-N 438.440 2.714 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)C(C)C 103629300 UNDCJOLMUWAHBT-QYQHSDTDSA-N 444.491 2.958 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccc(Br)cc1 408604780 FVOCJTXQVKWXEE-UHFFFAOYSA-N 442.291 2.758 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408672814 XEEZDOSHVLFMAU-OAHLLOKOSA-N 441.440 2.837 5 40 IFBB CCCCN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O 95971813 HBUQANAALHTTMW-UHFFFAOYSA-N 439.419 2.552 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225093571 IICFKYHVRCUKMX-UHFFFAOYSA-N 443.821 2.833 5 40 IFBB CC(=O)Nc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408670309 ZHRYCAGPPLWQAG-UHFFFAOYSA-N 442.428 2.844 5 40 IFBB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 11757756 WDGZACXKRXKABT-UHFFFAOYSA-N 448.526 2.590 5 40 IFBB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2270606 WBLUOXAUDSSLTK-GDLUXTLDSA-N 449.419 2.771 5 40 IFBB O=C(CSc1ncnc2c1nnn2-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 11758620 JGNRCGOHOSKFDD-UHFFFAOYSA-N 425.405 2.989 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 13149786 AKVANRYBAUSIQI-UHFFFAOYSA-N 440.485 2.963 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C\c3cccc([N+](=O)[O-])c3)c2=O)=N[C@H]1c1ccccc1 49942367 HUSRKJFHMLINOV-LVSKKATPSA-N 449.488 2.815 5 40 IFBB CCOc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1 408672813 XEEZDOSHVLFMAU-HNNXBMFYSA-N 441.440 2.837 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 12747912 WBWHAOUNERPQIX-UHFFFAOYSA-N 429.498 2.539 5 40 IFBB O=C1[C@@H]2[C@@H]3O[C@H]([C@@H]4C(c5cccc([N+](=O)[O-])c5)=NO[C@H]34)[C@H]2C(=O)N1c1ccc(Cl)cc1 102546930 SORGFXCWQFLVGU-HQRJMKCBSA-N 439.811 2.554 5 40 IFBB COc1c(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 104386222 WOERVIUEFXZJBA-CHHVJCJISA-N 426.410 2.899 5 40 IFBB CCc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1 9350559 UBCLOLQGYMGNPS-LJQANCHMSA-N 432.498 2.752 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CC(C)(C)C)CC2)c([N+](=O)[O-])c1 9945405 QDRKZQVBVJCYNK-UHFFFAOYSA-N 440.566 2.710 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 33019101 DHIQTOGNLMDXKF-GASCZTMLSA-N 433.486 2.953 5 40 IFBB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N2 59816861 LCOBDVHVBIWIHU-LALPHHSUSA-N 440.460 2.510 5 40 IFBB CCOC(=O)c1ccc(C)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220418102 WMHCMQXCALYDGW-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222365900 JIVQPPRZTHXTTB-UHFFFAOYSA-N 435.502 2.645 5 40 IFBB O=C(NCCC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1ccc(F)cc1Cl 95385693 SZBBJDLRFOJBAJ-UHFFFAOYSA-N 448.882 2.852 5 40 IFBB C=CC(=O)N1CCC(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)(c2ccccc2)CC1 1135569951 OAEDUENEFMIDEO-UHFFFAOYSA-N 448.523 2.990 5 40 IFBB O=[N+]([O-])c1ccc(NCCc2c[nH]c3ccccc23)c(S(=O)(=O)N2CCOCC2)c1 15208677 AWOASXHQPWPPDU-UHFFFAOYSA-N 430.486 2.752 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCCN21 106535272 PNZBCPISBINHIY-RAZUEPIFSA-N 446.463 2.643 5 40 IFBB CCc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 139054839 RWCUNPIQMBAHQD-OAHLLOKOSA-N 441.440 2.701 5 40 IFBB COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 9441704 FTRWMFVPAUBTLX-UHFFFAOYSA-N 427.413 2.777 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc(F)cc1)N1N=CC=C[C@H]21 13752020 DGYSWVQUMJOIOE-WTGUMLROSA-N 448.410 2.639 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 8449324 OQSRFMYRDIDCDV-LPTDTENNSA-N 446.415 2.946 5 40 IFBB Cc1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 9562066 ZQVZPAIXAQCRSL-UHFFFAOYSA-N 430.154 2.896 5 40 IFBB COc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[nH]c2=O)cc1 11612406 WVJVQRSSRJNOTG-UHFFFAOYSA-N 427.442 2.814 5 40 IFBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 24760109 KMVJMRPVXUEWRE-UHFFFAOYSA-N 433.486 2.591 5 40 IFBB COC(=O)c1sc(SC)nc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 40116120 FDPPOPGPLFVMRR-UHFFFAOYSA-N 438.487 2.649 5 40 IFBB CS(=O)(=O)N(CC(=O)Nc1ccc(OC(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 224865160 SHVLOCOMVRKNFK-UHFFFAOYSA-N 433.364 2.898 5 40 IFBB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 9225925 PDWKLIMBABOHKC-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB Cc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCCCC1 9612948 CLCGCCGFIHDPNW-UHFFFAOYSA-N 449.533 2.920 5 40 IFBB C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220422436 RZKLZJJQRPEKKW-AWEZNQCLSA-N 446.485 2.515 5 40 IFBB COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 408553786 QLZYZJCETDBCCL-NSHDSACASA-N 427.866 2.871 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)CCC4=O)cc3)CC2=O)cc1[N+](=O)[O-] 408656955 HYGGTFXURROTNZ-CQSZACIVSA-N 437.408 2.515 5 40 IFBB COc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1 220381234 QBLARYSPKYGDFY-CYBMUJFWSA-N 437.474 2.714 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)cc1OC 14075587 RMCUYKGCAOEGCK-CYBMUJFWSA-N 440.412 2.982 5 40 IFBB O=C(CCc1nc(-c2cccnc2)no1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 40082806 FRLAFMQBMWNMQB-UHFFFAOYSA-N 442.863 2.975 5 40 IFBB CCCCn1c(=N)c(C(=O)NCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 100755650 XYQJLMNNNKAYTP-UHFFFAOYSA-N 431.496 2.867 5 40 IFBB biogenic CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC 223986085 KOABSPKPJAEHGI-KRWDZBQOSA-N 437.474 2.795 5 40 IFBB COC(=O)C[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])c1cc2c(cc1[N+](=O)[O-])OCCO2 72422466 RRAWJJWUHBASSE-NSHDSACASA-N 448.384 2.986 5 40 IFBB CN(CCCNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 222368341 KHBFNRCOPRYTSL-UHFFFAOYSA-N 448.545 2.784 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccccc1=O 9762490 FMXVFYRKOHCZLQ-JOCHJYFZSA-N 446.463 2.529 5 40 IFBB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220423186 JACRUYJUNZARDM-CVEARBPZSA-N 435.502 2.641 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cccc(Br)c1 225073360 FGFOKFWFZZZHDP-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB O=C(CSc1nc(=O)n(C[C@@H]2CCCO2)c2c1CCC2)Nc1ccc(F)c([N+](=O)[O-])c1 10255415 ZCDWDAJXNOQYAW-ZDUSSCGKSA-N 448.476 2.689 5 40 IFBB C[C@H]1CCCN(c2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2[N+](=O)[O-])C1 17114587 OOQJPLUCVASWIC-AWEZNQCLSA-N 429.477 2.731 5 40 IFBB C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N1CCc2ccccc21 19430822 QHQSAZFUJFFMRN-CQSZACIVSA-N 439.424 2.804 5 40 IFBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCN1CCOCC1)C3=O 20308545 RCGCPUNYGKXFLA-NRFANRHFSA-N 449.463 2.887 5 40 IFBB CCOC(=O)C1=C(CN2CCc3cc(C)c([N+](=O)[O-])cc32)NC(=O)N[C@H]1c1ccco1 95459859 ROHYXJJSVXHBGU-IBGZPJMESA-N 426.429 2.730 5 40 IFBB COCCn1ccc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc21 524729963 PMLKJEXBDAYHFT-MAUKXSAKSA-N 436.468 2.617 5 40 IFBB biogenic CCOC(=O)/C=C(/Nc1cc(I)ccc1[N+](=O)[O-])C(=O)OCC 16931846 CLCDORVOPCMKQI-DHZHZOJOSA-N 434.186 2.621 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867566 WDZZZFAKRCHQRL-UHFFFAOYSA-N 433.486 2.784 5 40 IFBB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCN1CCOCC1)C3=O 20308547 RCGCPUNYGKXFLA-OAQYLSRUSA-N 449.463 2.887 5 40 IFBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c(C)cccc2C(=O)N2CCC(O)CC2)c1C 32926272 IDOKVEQHFIBYFP-UHFFFAOYSA-N 447.513 2.918 5 40 IFBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(OC)c1 223763073 NRJPSCNNMGBSPX-UHFFFAOYSA-N 448.457 2.791 5 40 IFBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 8843234 JYSHPOZBFNJAAJ-FRVJLOGJSA-N 431.404 2.931 5 40 IFBB Cc1ccc2nc3c(cc(C(=O)NC4CCCCC4)c(=N)n3Cc3cccnc3)c(=O)n2c1 13464925 JBAYTPRKBLRULD-UHFFFAOYSA-N 442.523 2.943 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)c1ccccc1 253486880 ALIPBAZNQJSQLD-BTHPGYMESA-N 430.420 2.500 5 40 IFBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCO3)cc1 8739070 PGFSQBXYKFQZHM-HOTGVXAUSA-N 447.494 2.599 5 40 IFBB CC(=O)NC12C[C@@H]3C[C@@H](C1)CC(C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C)(C3)C2 100993801 RZAQHQXZEGUDNW-KILAXVPQSA-N 429.473 2.860 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 408676153 AEMCSTPPHOUFTJ-SNHGZMDHSA-N 445.431 2.642 5 40 IFBB CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCCO)cc1 6134889 FOHIUTYCZXHOCN-KGENOOAVSA-N 441.484 2.899 5 40 IFBB O=C(c1csc2c1CCCC2)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 12972255 MUAJFJGZQJPPOB-UHFFFAOYSA-N 435.527 2.682 5 40 IFBB CCCn1/c(=N\C(=O)c2ccncc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101097260 BTRQDYNOMBIQHH-MEFGMAGPSA-N 445.479 2.680 5 40 IFBB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 408766008 NSOMVQVWFYXTEW-YBEGLDIGSA-N 449.466 2.900 5 40 IFBB COCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 9288584 AGCFLWQVAWBHEQ-UHFFFAOYSA-N 427.866 2.815 5 40 IFBB C[C@@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)Nc1ccccc1F 12851948 NKFDKLFEYXZSFU-GFCCVEGCSA-N 431.376 2.992 5 40 IFBB CCOc1cccc([C@H]2C[C@H]2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 95463033 BPZKQGNMKFATPP-UYAOXDASSA-N 447.513 2.982 5 40 IFBB CCOC(=O)C1=C(C)n2c(s/c(=C/c3cccc([N+](=O)[O-])c3)c2=O)=N[C@@H]1c1ccccc1 31934193 HUSRKJFHMLINOV-ITICKHJUSA-N 449.488 2.815 5 40 IFBB COc1c(OC(C)=O)ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1[N+](=O)[O-] 408721545 SJWIQJCJRHCONB-MFOYZWKCSA-N 439.449 2.916 5 40 IFBB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 23654323 LUVMYRNTCBWFDY-UHFFFAOYSA-N 439.516 2.744 5 40 IFBB Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 28050086 XAOCPFQTZMAJMZ-HNNXBMFYSA-N 427.866 2.619 5 40 IFBB O=C(NC[C@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 61878105 GYUAVESTNBIEFA-CYBMUJFWSA-N 439.877 2.958 5 40 IFBB Cc1cc(=O)oc2cc(OCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc12 2658604 WMVIYDOWLIZPMZ-UHFFFAOYSA-N 427.365 2.998 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1 10127292 DZGGEKGCXCXKDB-LLVKDONJSA-N 442.291 2.971 5 40 IFBB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 12847498 IZZHPKVQCLZKQB-UHFFFAOYSA-N 448.863 2.919 5 40 IFBB Cc1nn(C(=O)c2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCc2ccccc2C1 15865225 IJJQBAMIQXJASA-UHFFFAOYSA-N 440.481 2.844 5 40 IFBB CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32888213 VETYKOCGNSMJLU-CYBMUJFWSA-N 445.442 2.606 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C(=O)Nc3c(C)cccc31)N1CCC[C@H]21 33676475 KXONZDYINQEQJK-ZVVFGRKBSA-N 446.463 2.643 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@H]2C(=O)N(c3ccccc3)N[C@@H]2C)S(=O)(=O)C[C@H]1[N+](=O)[O-] 100929228 URKMBVGYVBCIRQ-GEALJGNFSA-N 441.509 2.674 5 40 IFBB Cc1ccc(OCCNC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220393252 RQPCGQLXDNDJAQ-INIZCTEOSA-N 435.502 2.561 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCC(C(N)=O)CC3)c([N+](=O)[O-])c2)c(C)c1 12737846 XYEDVAHFHBFHBZ-UHFFFAOYSA-N 432.502 2.714 5 40 IFBB CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)CC(C)C 12781493 PNPIFBDURTWLNT-SFHVURJKSA-N 442.582 2.784 5 40 IFBB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271404 MDHIKJCIKAZZBN-UHFFFAOYSA-N 444.557 2.860 5 40 IFBB Cc1ccc(OCCNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c(C)c1 18062176 IHPRBNCMKLZJPN-UHFFFAOYSA-N 448.545 2.639 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCCN21 248128210 VTQUSRNWSGYSPE-TYZOXTDXSA-N 446.463 2.643 5 40 IFBB CN(C)CCN(C(=O)c1ccccc1S(C)(=O)=O)c1nc2ccc([N+](=O)[O-])cc2s1 9707944 SCAXTHRIANDHDE-UHFFFAOYSA-N 448.526 2.816 5 40 IFBB Cc1ccc2[nH]c(C)c(CC(=O)NCCNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2c1 24632987 OLLCKAREUPPUBF-UHFFFAOYSA-N 444.513 2.867 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 40945634 HIZKETJSZYOEQX-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 58175401 ZHEDTLRJLCKFRM-UHFFFAOYSA-N 432.546 2.948 5 40 IFBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 108875836 GYYPUIVELSQNGM-MUQADHOPSA-N 431.489 2.529 5 40 IFBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1C 12853641 LMFQISFKCOQBMI-AWEZNQCLSA-N 426.516 2.997 5 40 IFBB O=C(c1ccccc1)[C@H]([C@@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1 31613446 UCZZLGBQZYHCMY-YADHBBJMSA-N 425.485 2.552 5 40 IFBB O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1CCN1CCOCC1 38829005 GHROFDLAPJJKRB-UHFFFAOYSA-N 436.899 2.686 5 40 IFBB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409208586 CXUXAKOJLASRPV-YBEGLDIGSA-N 431.426 2.654 5 40 IFBB Cc1nn(CCCC(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1I 12372195 GABSJBXRWFTDAZ-UHFFFAOYSA-N 435.247 2.888 5 40 IFBB CCOC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220418029 WMHCMQXCALYDGW-CQSZACIVSA-N 449.485 2.873 5 40 IFBB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222548448 CYXQGWJZFNNFKY-KRWDZBQOSA-N 435.502 2.773 5 40 IFBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222602602 KZSFQWIZVMUCJD-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB COc1cccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)c1 408564157 VGJCEFGWLXLULC-GOSISDBHSA-N 439.346 2.870 5 40 IFBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 9716392 HPRQUCNQNQCMKQ-UHFFFAOYSA-N 449.427 2.999 5 40 IFBB CC(C)C[C@@H](C(=O)OCC(=O)NC1CCCCC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 22708268 AQDPTWRSPUBLCN-KRWDZBQOSA-N 445.472 2.598 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 30571536 YOOAMRMCTSZKDX-AWEZNQCLSA-N 437.522 2.651 5 40 IFBB C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 32472039 TWYRSEFOTWIAHF-MRXNPFEDSA-N 437.500 2.763 5 40 IFBB COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(C(C)C)c2=N)cc1 100758160 PTPVLWNGOFRZNC-UHFFFAOYSA-N 431.496 2.691 5 40 IFBB biogenic CC[C@H](C(=O)NCCOc1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526914 GWQYAZPXRBTKGJ-LJQANCHMSA-N 435.502 2.643 5 40 IFBB COCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2225773 IHNVKJKUZCAKMJ-UHFFFAOYSA-N 429.436 2.718 5 40 IFBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)OCC(=O)Nc2cc(C)cc(C)c2)CC1=O 408668378 KTFWSVHDQVLAQL-OAHLLOKOSA-N 441.440 2.755 5 40 IFBB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1 9650626 AFMPNPQETFKLBK-UHFFFAOYSA-N 448.482 2.646 5 40 IFBB CS(=O)(=O)N1CCCc2cc(C(=O)COC(=O)/C=C/c3ccccc3[N+](=O)[O-])ccc21 21179665 NOUAPNNPGILBEI-PKNBQFBNSA-N 444.465 2.746 5 40 IFBB COC(=O)C[C@@H]1CCCCN1c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 95446178 RMTBBXBQIDHKRH-HNNXBMFYSA-N 425.507 2.691 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCSc1ccccc1)S(C)(=O)=O 220383388 NDHLVDNGTWALAE-HNNXBMFYSA-N 437.543 2.966 5 40 IFBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523839 KVLRMRSMNFTFBN-INIZCTEOSA-N 436.446 2.995 5 40 IFBB CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 861871 CWDWQYGIRAOCLU-MTGKDYNDSA-N 449.488 2.707 5 40 IFBB CCOC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 9638942 MQXHFZOLSNYHCK-VMPITWQZSA-N 444.469 2.922 5 40 IFBB Cc1cc(C)c(NC(=O)CNC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c(C)c1 12764647 BMUAYBSHKGSWQE-UHFFFAOYSA-N 449.467 2.743 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 20219678 FCNJJSVJLBAIEZ-FQEVSTJZSA-N 435.436 2.579 5 40 IFBB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 4288823 MLDGXLHFVFRCQG-INIZCTEOSA-N 437.861 2.792 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 9224214 DMUWTUJWXJPDHX-UHFFFAOYSA-N 440.485 2.963 5 40 IFBB CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)cc1 22375294 GDWDNVXRNUPABJ-SFHVURJKSA-N 435.502 2.945 5 40 IFBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 35570624 HRSWXPBHQXZLBK-CKEIUWERSA-N 441.387 2.569 5 40 IFBB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17096889 CVDLSEOLWYNUPD-UHFFFAOYSA-N 430.486 2.881 5 40 IFBB COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 245237779 WQAILTMKRZSTGC-UNEWFSDZSA-N 431.445 2.616 5 40 IFBB COc1c2c(cc3oc4c(CCC(C)(C)O)ccc(O)c4c(=O)c13)O[C@@H]1OC=C[C@]21O 13374582 ICLRNDIRYAEKCT-GMAHTHKFSA-N 426.421 2.814 5 40 IFBB biogenic,in-vitro CS(=O)(=O)N1CC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 30945861 ATHKUILVTAYZPM-INIZCTEOSA-N 425.850 2.804 5 40 IFBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 3361984 GPNCDNCOTAFMEI-OAHLLOKOSA-N 439.877 2.854 5 40 IFBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccc2Br)cc1[N+](=O)[O-] 224773695 NDCQYZXXCSHADM-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)c1ccc(Br)s1 9120777 KQCPBGONRQPPSP-UHFFFAOYSA-N 429.248 2.863 5 40 IFBB NC(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C1 33026805 YWZQRFWAVPQEKE-ZDUSSCGKSA-N 428.411 2.554 5 40 IFBB COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCCCC2)cc1 57366492 JYYZVRJLRHEDPN-IBGZPJMESA-N 434.518 2.890 5 40 IFBB CC(C)(C)c1nnc2sc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nn2c1=O 3413398 JTBSQXGAIMPGCQ-UHFFFAOYSA-N 435.487 2.911 5 40 IFBB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO 8826448 DBVHUKYFAGDCAO-UHFFFAOYSA-N 437.836 2.765 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC3)cc1 15882622 HOKYJMCXNLKVDZ-UHFFFAOYSA-N 445.497 2.557 5 40 IFBB O=C(O)[C@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1cccc([N+](=O)[O-])c1 71980581 WGKSXUKKMXHEIF-LJQANCHMSA-N 425.441 2.513 5 40 IFBB COc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC 220235606 ZSCBFDQCBUVXCQ-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB O=C(COC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 408736567 CTKHVRGLFJWCAH-KRWDZBQOSA-N 426.381 2.649 5 40 IFBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc2c(c1)OCO2 409171145 YGIMJDGLXWWRAN-OMCISZLKSA-N 443.393 2.704 5 40 IFBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)NCc1ccccc1 9631630 HKIADBAFTYYQLN-UHFFFAOYSA-N 440.456 2.768 5 40 IFBB N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccc(F)cc1 101236002 BZABHRBAZZFUGB-UHFFFAOYSA-N 443.438 2.839 5 40 IFBB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1C 3279824 VZHJFRSICZYXDF-UHFFFAOYSA-N 432.385 2.543 5 40 IFBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222577716 PLJKPUAYNSYQEL-CYBMUJFWSA-N 435.864 2.799 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1[N+](=O)[O-] 16978374 KWHHHXDUIKSMBM-UHFFFAOYSA-N 448.482 2.900 5 40 IFBB CN(C(=O)CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 32858007 HIEVFYQNGDXOFO-NRFANRHFSA-N 438.484 2.838 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)cc1 40400488 HVRUGPKJVTYOSP-HNNXBMFYSA-N 434.412 2.795 5 40 IFBB CCOC(=O)C[C@H](NS(=O)(=O)c1cc(OC)ccc1OC)c1cccc([N+](=O)[O-])c1 8868257 RDYKOOCAMCNTFS-INIZCTEOSA-N 438.458 2.585 5 40 IFBB CCOC(=O)C[C@@H](NC(=O)Cn1c(=O)sc2ccccc21)c1cccc([N+](=O)[O-])c1 12413202 FHWDYRZZXLLACH-OAHLLOKOSA-N 429.454 2.782 5 40 IFBB CC(C)c1ccc(-c2nnn(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)n2)cc1 12536721 SMGAFUUEEQRZLW-UHFFFAOYSA-N 435.488 2.721 5 40 IFBB Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)ccc1Br 12771890 FIASFVYVMBJBLH-UHFFFAOYSA-N 430.280 2.871 5 40 IFBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(C(=O)N2CCCCC2)CC1 14900434 CECAXGQGJRQOQP-UHFFFAOYSA-N 432.524 2.905 5 40 IFBB CS(=O)(=O)c1ccc(NCCNC(=O)c2cc3cc(Cl)ccc3[nH]2)c([N+](=O)[O-])c1 32759855 BBCVDFSUDLBJCX-UHFFFAOYSA-N 436.877 2.975 5 40 IFBB COC(=O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010872 ILCAESITNOQGER-UHFFFAOYSA-N 447.238 2.865 5 40 IFBB COc1cc(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)cc1[N+](=O)[O-] 9508835 YTIMOUUJIAFJCJ-UHFFFAOYSA-N 448.501 2.747 5 40 IFBB Cn1cnnc1Sc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1[N+](=O)[O-] 9633805 OIFRNXRKYIZJEG-UHFFFAOYSA-N 448.848 2.718 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)S(=O)(=O)c2cccs2)cc1 9741207 MUQYURCHNGDYSA-OAHLLOKOSA-N 442.496 2.743 5 40 IFBB CSc1nc2ccccc2n1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 25765276 YKYYLQBVFVEMAD-UHFFFAOYSA-N 447.542 2.630 5 40 IFBB O=C(N[C@@H](c1ccccc1)C1CC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 9875183 BUPMJKGGRBYMIO-FQEVSTJZSA-N 444.513 2.762 5 40 IFBB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)C3=O 20308564 CZLPIDAOBKIFAK-NRFANRHFSA-N 449.463 2.887 5 40 IFBB O=C1OCCN1c1cccc(CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 40149274 WYIILQNEOBDALF-UHFFFAOYSA-N 446.485 2.948 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220418197 IXRQGWDZEWSVCD-CQSZACIVSA-N 449.485 2.873 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 408621889 PVWDZNMFRYATHE-UHFFFAOYSA-N 437.474 2.795 5 40 IFBB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 57945528 NNTAWARVWXVBNR-UHFFFAOYSA-N 435.278 2.824 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCOCC1 106693037 DPTCDYBEGQOPDW-BOPFTXTBSA-N 443.437 2.750 5 40 IFBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(OC)cc1)S(C)(=O)=O 220647198 ZTHDHSKIQAWPIK-QGZVFWFLSA-N 437.474 2.795 5 40 IFBB CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 12748758 RKDKCRCYRLMYPC-UHFFFAOYSA-N 427.504 2.701 5 40 IFBB COc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 40115994 KYJCTWBQYVEGRF-SMDDNHRTSA-N 425.850 2.753 5 40 IFBB CC(C)C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCO1 95464294 FNORDINSODDLOA-NVXWUHKLSA-N 427.523 2.621 5 40 IFBB CCCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3cc(C)ccc3nc21 100943707 PCJPOHPGGOENQG-UHFFFAOYSA-N 426.473 2.819 5 40 IFBB C[C@@H]1CCc2c(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)csc2C1 14690785 SVLXKJOTRGKBIN-CQSZACIVSA-N 449.554 2.928 5 40 IFBB CCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408665733 WSDWLQMEXLFGGD-UHFFFAOYSA-N 443.412 2.672 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCSCc1ccccc1)S(C)(=O)=O 10371269 ZVIDZHRLGYHACK-UHFFFAOYSA-N 437.543 2.719 5 40 IFBB CN1CCN(S(=O)(=O)c2ccc(N(C)[C@@H]3CCc4ccccc43)c([N+](=O)[O-])c2)CC1 12527332 LSOSDZQHLDUQNO-LJQANCHMSA-N 430.530 2.655 5 40 IFBB CC1(C)[C@@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 13382117 KOGKQDDNBIWGRO-MUGJNUQGSA-N 443.412 2.846 5 40 IFBB COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1OC 32854561 KDIBCXRDZCUOQG-QGZVFWFLSA-N 429.473 2.633 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220389572 JCPXRHRLTZDPDC-CYBMUJFWSA-N 436.446 2.913 5 40 IFBB O=Cc1ccc(Sc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)c([N+](=O)[O-])c1 408604519 JYVJKZKTGIWYOY-UHFFFAOYSA-N 438.469 2.746 5 40 IFBB COCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 8914614 LFKRBQJSPBHLHO-OFNKIYASSA-N 448.479 2.798 5 40 IFBB biogenic Cc1cccn2c(=O)c3cc(C(=O)NCC(C)C)c(=N)n(CCCOC(C)C)c3nc12 101116452 SBGRGRYCODGHFV-UHFFFAOYSA-N 425.533 2.638 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(OC(C)C)cc1)S(C)(=O)=O 113939933 YKAXTQOXDSSCMC-UHFFFAOYSA-N 435.502 2.773 5 40 IFBB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546713 CMLZJSUTQQDPBN-HNNXBMFYSA-N 429.539 2.945 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 9372930 CRYBRGCBKHCHON-ZBFHGGJFSA-N 441.440 2.522 5 40 IFBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCOCC2)cc1 19162884 BHUDFUHRQLDRFT-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 32945174 IYXQKNVLLSQGHI-YWPYICTPSA-N 425.869 2.605 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100550321 HMXCSNDPAQCORK-LATRNWQMSA-N 446.415 2.946 5 40 IFBB O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(=Nc2ccccc2)nc(N2CCOCC2)[nH]1 408607712 ULGQKNBSGDPDDR-UHFFFAOYSA-N 438.469 2.746 5 40 IFBB CCc1ccc2c(COC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc(=O)oc2c1 9125941 TZZXMLPSJJMKGP-UHFFFAOYSA-N 436.376 2.603 5 40 IFBB Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 9288550 VTQUSRNWSGYSPE-HMSHQKHKSA-N 446.463 2.643 5 40 IFBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2cc(OC)ccc2OC)c([N+](=O)[O-])c1 9586066 VYEGDYUESUDVNF-LBPRGKRZSA-N 425.463 2.669 5 40 IFBB CC[C@@H](C(=O)NCCSC1CCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223777342 ZFYZEVVEMHMUSN-KRWDZBQOSA-N 429.564 2.931 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(-c2ccccc2)s1)S(C)(=O)=O 225612041 URIPCORDHMGYCW-UHFFFAOYSA-N 447.498 2.826 5 40 IFBB COc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 408666674 ONVQQQSMIJAKJI-UHFFFAOYSA-N 445.428 2.903 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(c2ccc(O)cc2)CC1 9562959 RUBPJLZTBYTFSF-UHFFFAOYSA-N 446.529 2.802 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(OC)c(OC)c1OC 16091211 QIULCNHNCOSDCO-LLVKDONJSA-N 434.401 2.813 5 40 IFBB COCCOc1ccc(CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 32915262 ORWHADJLBUTJHX-UHFFFAOYSA-N 429.429 2.625 5 40 IFBB COC(=O)C1=C(C(=O)OC)N(c2ccc(C)cc2)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 32936432 GFMSLXGYCFPZEL-KRWDZBQOSA-N 425.397 2.774 5 40 IFBB O=c1[nH]c(O)nc(/C=C/c2cc(Br)c(O)c(Br)c2)c1[N+](=O)[O-] 33400761 GWSGMCUKTQMBEO-OWOJBTEDSA-N 433.012 2.785 5 40 IFBB Cc1nc(NCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(Nc2ccccn2)n1 585447933 VDHZPGLMWGDTNT-UHFFFAOYSA-N 438.404 2.582 5 40 IFBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(C[C@H]3CCCO3)c2=N)cc1 100426150 JTXXNCZZNVMGHC-GOSISDBHSA-N 443.507 2.546 5 40 IFBB Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)c(C)c1 9158609 ZCJRWJITZLVCBK-UHFFFAOYSA-N 444.451 2.868 5 40 IFBB Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 15704395 NSWXEZUQSHVQMP-UHFFFAOYSA-N 439.877 2.830 5 40 IFBB Nc1nc(OCCc2ccc([N+](=O)[O-])cc2)c(I)cc1[N+](=O)[O-] 95937786 SBDFFAAZZFZYLI-UHFFFAOYSA-N 430.158 2.706 5 40 IFBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-] 219823691 OJYMLNAWNUWAQT-OAHLLOKOSA-N 429.429 2.530 5 40 IFBB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225010937 LHGYVIULDAXNJE-UHFFFAOYSA-N 433.211 2.776 5 40 IFBB Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCCN21 248108325 MJFBFVYLUHLRPZ-RAZUEPIFSA-N 446.463 2.643 5 40 IFBB C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12569132 QVUDEOCNARAONH-KRWDZBQOSA-N 446.529 2.632 5 40 IFBB CCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3ccccc3nc21 101093931 WTFSOQAOFWBBDG-UHFFFAOYSA-N 431.496 2.520 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223006449 MUAFQVRRBUSOLZ-SFHVURJKSA-N 429.473 2.844 5 40 IFBB O=C(N[C@H](Cc1ccccc1)C(=O)O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2949137 MFISJHWYBFLQDK-CWDSQJGSSA-N 449.419 2.771 5 40 IFBB CC(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 4703611 MKNPLJCEPKJNRV-UHFFFAOYSA-N 426.517 2.962 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 9233690 BZJHOJGTMRZEGG-KRWDZBQOSA-N 438.889 2.843 5 40 IFBB COc1ccc(OC)c(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)c1 16944450 FYLONGKIQVFTQZ-UHFFFAOYSA-N 425.397 2.655 5 40 IFBB N=c1c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1 100627287 NJPULBLSXNGTQU-UHFFFAOYSA-N 439.475 2.742 5 40 IFBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1[N+](=O)[O-] 8921764 PHAILORSLNNKKF-SFHVURJKSA-N 435.230 2.803 5 40 IFBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 9545486 KKEROCAPPPVHBI-UHFFFAOYSA-N 425.413 2.912 5 40 IFBB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@@H](C)O1 12874147 HERATOWANHIDLA-GASCZTMLSA-N 434.470 2.750 5 40 IFBB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C[C@@H]3[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]23)cc1 100204669 CSHCMAAIBIKRNH-BYNWGJDGSA-N 445.431 2.972 5 40 IFBB Cc1cc(C)cc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224100670 VSRCAMDKDNTFOB-INIZCTEOSA-N 435.502 2.561 5 40 IFBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12784672 FNLWNFFSOKQYGT-UHFFFAOYSA-N 429.498 2.620 5 40 IFBB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 9613097 LREPJRQSMYPFJZ-UHFFFAOYSA-N 448.863 2.919 5 40 IFBB O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9662745 OMPBSALFIIVVOY-UHFFFAOYSA-N 430.895 2.744 5 40 IFBB CCc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])CC2=O)cc1 12542827 MIVJGTAIIBHQOU-AWEZNQCLSA-N 429.404 2.831 5 40 IFBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769292 OOYCQVXADWPACX-WMZOPIPTSA-N 426.816 2.880 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1 113872882 DRLYPBYSZLZDDK-UHFFFAOYSA-N 441.849 2.575 5 40 IFBB Cc1cccc2c1N(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C1)CC2 531216207 RLKDRHIDTNVCFR-QGZVFWFLSA-N 429.498 2.893 5 40 IFBB CC(=O)N1CCN(c2ccc(C(=O)NCc3ccccc3OC(F)F)cc2[N+](=O)[O-])CC1 12607032 YIUDZQSSVKZBLR-UHFFFAOYSA-N 448.426 2.795 5 40 IFBB CCc1ccc(OC[C@@H](O)Cn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)cc1 12943910 UNRGDGUMOHRYPE-SFHVURJKSA-N 438.484 2.907 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc([N+](=O)[O-])cc1 17752135 ATQAGCRJJKFOMI-YQMDMEMYSA-N 446.415 2.946 5 40 IFBB COc1c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 33474172 XAXLWAQLAPFVRH-APSNUPSMSA-N 426.410 2.899 5 40 IFBB COC(=O)c1ccc([N+](=O)[O-])cc1NC(=O)Cc1c(C)nn(-c2cncc(Cl)n2)c1C 96011133 LMPDGHDPUHEJIC-UHFFFAOYSA-N 444.835 2.809 5 40 IFBB CC[C@@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515554 GGRPKPLQMIVKQU-KRWDZBQOSA-N 435.458 2.565 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408668485 LSYQAJYRNOWCRD-OAHLLOKOSA-N 441.440 2.837 5 40 IFBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)Nc1cccc([N+](=O)[O-])c1 3373320 MCPLVJSLESAMNT-UHFFFAOYSA-N 449.375 2.780 5 40 IFBB O=C(C[C@H]1C(=O)N[C@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 9234392 YGFKRLXIPKWQNC-UFYCRDLUSA-N 436.468 2.875 5 40 IFBB COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 20647434 UKGGZQDQKVMGSR-KRWDZBQOSA-N 425.489 2.564 5 40 IFBB O=[N+]([O-])[C@H]1[C@H](c2c3ccccc3cc3ccccc23)[C@H]([N+](=O)[O-])[C@@]2(O)C[C@H]1[C@H]1CO[C@H]2O1 247713212 LLLJJWPPOSOWRF-NXGFGMJTSA-N 436.420 2.873 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1 408656729 OCZMFDICHAMLCZ-HOCLYGCPSA-N 441.440 2.695 5 40 IFBB O=C(NC[C@@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] 9708094 APTNORGSPSAHMN-NRFANRHFSA-N 431.452 2.849 5 40 IFBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 9708097 WRZVNAPJMGOSCV-OAQYLSRUSA-N 431.452 2.849 5 40 IFBB Cc1cccc(OCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 223954677 YDKXARHYUWUIFB-INIZCTEOSA-N 435.502 2.561 5 40 IFBB O=C(COC(=O)c1ccc(I)cc1)Nc1cccc([N+](=O)[O-])c1 3248477 CQBSDZJPZSNCGJ-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1C 9974017 GUVWIDPORUHQFL-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cccc(C)c1[N+](=O)[O-] 48286798 LLLMOQUUBNSTPQ-UHFFFAOYSA-N 448.501 2.608 5 40 IFBB C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 89920283 ANGUKCMMFWUTRM-KGLIPLIRSA-N 430.465 2.551 5 40 IFBB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526153 RREXOMXNQIZXLA-QGZVFWFLSA-N 435.458 2.565 5 40 IFBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@H]2c2cccc([N+](=O)[O-])c2)c1 9667263 GHPXGANGDQIDSM-SFHVURJKSA-N 437.416 2.526 5 40 IFBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 12774501 DMMXDCXYBOBOOD-KBPBESRZSA-N 449.533 2.971 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100628068 BLLXHEQQTJTQJT-UHFFFAOYSA-N 445.523 2.794 5 40 IFBB CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCC1 12823779 QAXZLQQNPDOTHC-QGZVFWFLSA-N 440.566 2.538 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(OC)c(OC)c1OC 16091213 QIULCNHNCOSDCO-NSHDSACASA-N 434.401 2.813 5 40 IFBB O=C(O)[C@@H]1COC2(CCN(Cc3ccccc3)CC2)N1C(=O)c1ccc([N+](=O)[O-])cc1 71980578 BHCYLYKRQYAGFW-IBGZPJMESA-N 425.441 2.513 5 40 IFBB COc1ccc(C(=O)O[C@@H](C)C(=O)NCC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 21282480 ANDJTQREMMQPQX-AWEZNQCLSA-N 429.429 2.520 5 40 IFBB CCS(=O)(=O)N1CCC(Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829359 KECFLHSANBALPG-UHFFFAOYSA-N 426.373 2.748 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O 222581198 WLADTANUZZXWSF-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(NC(C)=O)ccc21 100877737 RKBLNEFFGPUMPU-ZZEZOPTASA-N 448.482 2.935 5 40 IFBB Cc1ccccc1OC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220037026 FGRMLHZIPIHZJT-OAHLLOKOSA-N 435.502 2.561 5 40 IFBB CCSc1nnc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225132897 OVNNKULYHAOPMR-JTQLQIEISA-N 445.548 2.660 5 40 IFBB CSc1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1 12605890 MTKZMQRCNWBDJI-UHFFFAOYSA-N 437.543 2.974 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222375223 XGQLCOCIIWUVBN-UHFFFAOYSA-N 436.446 2.996 5 40 IFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 16682630 QLVUYWXSVLLTJQ-RDJZCZTQSA-N 442.815 2.546 5 40 IFBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCN(C(=O)N(C)Cc2ccccc2)CC1 36398292 BAQZTVKFDAZAMT-UHFFFAOYSA-N 425.489 2.711 5 40 IFBB COc1c(Br)cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1Br 107582956 POQKCJXCCLPYOQ-NSCUHMNNSA-N 447.039 2.675 5 40 IFBB CC[C@H](C(=O)NCc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534838 VMCXHBOYJGBPOJ-GOSISDBHSA-N 435.502 2.773 5 40 IFBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc[nH]1 3361983 GPNCDNCOTAFMEI-HNNXBMFYSA-N 439.877 2.854 5 40 IFBB CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 9064686 OPXHKPPRSVGSBM-UHFFFAOYSA-N 443.485 2.517 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1cccc(Br)c1 9704135 BIZMXSZAMVMJNR-UHFFFAOYSA-N 439.218 2.927 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1nnnn1-c1ccccc1 12538266 KBAJCVLYKWETHN-UHFFFAOYSA-N 432.487 2.506 5 40 IFBB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 15760121 MLNXRQWZALJMQK-UHFFFAOYSA-N 448.361 2.905 5 40 IFBB CCCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 29512445 MZICVPYJPVOJAR-UHFFFAOYSA-N 440.566 2.854 5 40 IFBB O=C(OCc1nccc[n+]1[O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58177882 WQDLMBFDTLBXQU-UHFFFAOYSA-N 426.351 2.602 5 40 IFBB CCOc1cccc([C@H]2C[C@@H]2Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 95463031 BPZKQGNMKFATPP-QUCCMNQESA-N 447.513 2.982 5 40 IFBB CO[C@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4974944 NGKKKFKTIZCIEN-FGTMMUONSA-N 446.368 2.647 5 40 IFBB CCN1CCN([C@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23181901 DUKABAPPUREZJZ-KXBFYZLASA-N 438.575 2.702 5 40 IFBB CCCNC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 40134391 PHQDTZHILTUAIN-CQSZACIVSA-N 428.420 2.865 5 40 IFBB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)cc1 409126764 BNFDTXKMTCVTMA-UHFFFAOYSA-N 427.442 2.908 5 40 IFBB CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 9190249 PNANVTDZBCSGOF-UHFFFAOYSA-N 438.893 2.582 5 40 IFBB CCOC(=O)c1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1C 10443583 XOMQGXCNKAHFGW-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB C[C@H](OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 10913523 SFHYRFDTAYTUNV-JTQLQIEISA-N 430.804 2.598 5 40 IFBB CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O)c1ccc(C)cc1 20105327 SUAQZGPXXCKLTJ-KRWDZBQOSA-N 435.502 2.945 5 40 IFBB COc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395334 ZVBWOIGINXKBLC-HUUCEWRRSA-N 435.502 2.944 5 40 IFBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222577787 PLJKPUAYNSYQEL-ZDUSSCGKSA-N 435.864 2.799 5 40 IFBB CCOC(=O)[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2cc(Cl)ccc2O1 1399678 JKBMUUVWDHDNNA-KRWDZBQOSA-N 440.861 2.909 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 8449311 ATQAGCRJJKFOMI-RWFYYTQISA-N 446.415 2.946 5 40 IFBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 9907987 WUOXQUCSHHBQPB-UHFFFAOYSA-N 442.472 2.541 5 40 IFBB Cc1nn(C)cc1N1C(=O)/C(=C\c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)N=C1S 19633606 HVBJEJJPMLHLFM-VIZOYTHASA-N 441.473 2.765 5 40 IFBB Cc1cc(C)n2nc(Sc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])nc2n1 22834422 WNEBHQAEAQZMSE-UHFFFAOYSA-N 448.530 2.975 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1)N(CCO)CCCN1C(=O)c2cccc3cccc(c23)C1=O 409370463 RFVQWWACPSSFFA-UHFFFAOYSA-N 447.447 2.869 5 40 IFBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 8902618 LQFDMHRBRMKBEZ-UHFFFAOYSA-N 430.486 2.957 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1ccc([N+](=O)[O-])cc1 13572360 MWNHNOOEPBUXAN-UONOGXRCSA-N 444.538 2.832 5 40 IFBB COc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 40143700 MXSYWDIZOJGYQA-UONOGXRCSA-N 425.850 2.753 5 40 IFBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCOCC1 106693569 QCGXDTXYEAIMDI-BOPFTXTBSA-N 443.437 2.750 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 223293958 DDKIIVJHIYTSOY-UHFFFAOYSA-N 449.470 2.816 5 40 IFBB COc1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 408762174 NMFUYSKTVQFNHU-SXGWCWSVSA-N 429.410 2.993 5 40 IFBB Cc1cc(C(=O)NCC(=O)OCC(=O)c2ccc(Br)s2)ccc1[N+](=O)[O-] 3322695 NSINSFNCZKZKPH-UHFFFAOYSA-N 441.259 2.883 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1 9714655 MQWSDSQZXGMQKT-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB Cc1cc(S(N)(=O)=O)cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1C 12609389 PZZCRWHCGRRSPH-UHFFFAOYSA-N 432.502 2.714 5 40 IFBB COc1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1Br 17094268 AJWAGLHVDYNTFP-UHFFFAOYSA-N 425.264 2.997 5 40 IFBB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260805413 CODKCKWGFGDKIO-CABCVRRESA-N 435.502 2.944 5 40 IFBB Cn1c(CNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409347749 MQNLJDMZEPJSFR-UHFFFAOYSA-N 444.448 2.523 5 40 IFBB CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4974943 NGKKKFKTIZCIEN-SQNIBIBYSA-N 446.368 2.647 5 40 IFBB Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)n2)cc1 12586556 DLKCRHYBVAMYMV-UHFFFAOYSA-N 441.879 2.559 5 40 IFBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(OC)cc5)c(=O)c4cc3c2=O)n1 40398941 ULXIOCHFNPDQMK-UHFFFAOYSA-N 446.492 2.929 5 40 IFBB Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCCCC4)cc1[N+](=O)[O-] 2781616 QWXCBJROFDIKOP-UHFFFAOYSA-N 444.517 2.999 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 16012520 MUDFLOGWSRAWHE-UAKAABGRSA-N 446.463 2.588 5 40 IFBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccc(F)c(F)c1F 89768290 BXQKGMPXUCVDKZ-UHFFFAOYSA-N 439.346 2.644 5 40 IFBB COc1cc([C@@H]2[C@@H]3SC(N)=NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 136607996 AJGNHEZSJSKDCB-CABCVRRESA-N 430.402 2.522 5 40 IFBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc(OC)c1OC 408564405 CNZOOXWEZHAIGG-YOVFKVCWSA-N 439.468 2.767 5 40 IFBB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc2N1 9193009 PAYYTZDDSKYOJI-CYBMUJFWSA-N 448.848 2.572 5 40 IFBB COC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225040561 JBGVROIRZYIQHB-UHFFFAOYSA-N 444.849 2.634 5 40 IFBB O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1CCc1ccccc1 8994286 PPESFDLYJBTIRA-HYBUGGRVSA-N 448.479 2.817 5 40 IFBB C[C@H](OC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C(=O)N1CCc2ccccc21 19430824 QHQSAZFUJFFMRN-AWEZNQCLSA-N 439.424 2.804 5 40 IFBB COC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCCC2 23380092 ANSNYYVJCYISFX-UHFFFAOYSA-N 448.501 2.777 5 40 IFBB CCOC(=O)C1CCN(c2ncnc(Nc3cc(OC)ccc3OC)c2[N+](=O)[O-])CC1 40618745 MRDUOEHISUEQKO-UHFFFAOYSA-N 431.449 2.925 5 40 IFBB COc1ccc(CCCNC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220416804 HHNYIEMADSHGKQ-HNNXBMFYSA-N 435.502 2.507 5 40 IFBB C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224930443 LCMZURXWBRABHZ-OAHLLOKOSA-N 432.502 2.988 5 40 IFBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc2c(c1)OCO2 9175811 ISFSIWMVJORMJN-UHFFFAOYSA-N 433.423 2.865 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 11990795 BYOFVPUEDDYENS-ZOWXZIJZSA-N 447.416 2.631 5 40 IFBB COc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222373853 AICPYMPMVDKPFE-UHFFFAOYSA-N 435.502 2.774 5 40 IFBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ncn(Cc2ccc(F)cc2Cl)n1 2732365 ATRKRULVOACRFI-UHFFFAOYSA-N 428.211 2.906 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 9128526 AUPSIKJSKYGKTF-UHFFFAOYSA-N 427.504 2.735 5 40 IFBB Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4n3C)c(N)n(Cc3ccccc3)c2c1=O 9335457 AVMPCPADKIWLEH-UHFFFAOYSA-N 429.440 2.827 5 40 IFBB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[C@H]1C 32945173 IYXQKNVLLSQGHI-LALPHHSUSA-N 425.869 2.605 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccccc1 35900230 KCZSTMOPZYQNSH-ALFLXDJESA-N 445.431 2.642 5 40 IFBB CC[C@@H](C(=O)NCCOc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224103019 NJQANAUKIYVRCA-FQEVSTJZSA-N 449.529 2.951 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccccc1Br 225077550 ZHSNEJNJZBPKRE-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB Cc1ccc(Nc2nc3c(c(=O)[nH]2)[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)cc1 40400484 HLMPNDDBVHXHEF-HNNXBMFYSA-N 434.412 2.795 5 40 IFBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224785212 QASIBENLJFRXGT-UHFFFAOYSA-N 437.430 2.878 5 40 IFBB COc1ccccc1NS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 9183616 WJYPVJMOLXCIGK-UHFFFAOYSA-N 433.398 2.955 5 40 IFBB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 33009172 TVVSQLABDMAQKS-UHFFFAOYSA-N 426.448 2.932 5 40 IFBB CN(C)CCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O 40399022 XDVAYXXGTWEYMN-UHFFFAOYSA-N 447.543 2.818 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 13148346 IVJCPHJIKSDYFL-KRWDZBQOSA-N 445.859 2.715 5 40 IFBB C[C@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@@H](C)O1 14065848 XPOBYISAESMNLF-GASCZTMLSA-N 442.582 2.971 5 40 IFBB Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 103534773 PNZBCPISBINHIY-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545566 ZPMIDDSWJDWFAO-MRXNPFEDSA-N 437.474 2.795 5 40 IFBB Cc1c(N(CC(=O)Nc2nnc(SC(C)C)s2)S(C)(=O)=O)cccc1[N+](=O)[O-] 225528448 KGPFENFVUCOYBN-UHFFFAOYSA-N 445.548 2.660 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253487075 DIKMEPIJUPGTNE-FYQPLNBISA-N 430.420 2.500 5 40 IFBB O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc2ccccc12 941677 HXCWKYSGRVZGKY-UHFFFAOYSA-N 433.376 2.526 5 40 IFBB CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 9507255 RTENQTAGCYPNPR-UHFFFAOYSA-N 437.456 2.522 5 40 IFBB C[C@H]1C[C@H](C)CN(c2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])C1 20440234 BJMIJVCIZPEMOH-IRXDYDNUSA-N 425.537 2.772 5 40 IFBB CCCNC(=O)CN1CCN(c2c([N+](=O)[O-])cnc3ccc(Br)cc23)CC1 40071527 IVMALROAKWXMHK-UHFFFAOYSA-N 436.310 2.554 5 40 IFBB CC1=C([C@H](c2ccccc2)[C@@H]2C(=O)N(c3ccccc3)N[C@H]2C)S(=O)(=O)C[C@@H]1[N+](=O)[O-] 254296404 URKMBVGYVBCIRQ-KCUHQSDYSA-N 441.509 2.674 5 40 IFBB COc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 408661731 HHKRWEWPXGTQER-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(=O)OC)=NN2c2ccc([N+](=O)[O-])cc2)S1 20442441 ISJXDZRLVQURCJ-QGZVFWFLSA-N 438.487 2.719 5 40 IFBB CCN(c1cc(OC)c(OC)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 22252263 OTLBBAVOMHZZJM-UHFFFAOYSA-N 437.474 2.959 5 40 IFBB O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22527883 IADNCLJKMKWEHM-UHFFFAOYSA-N 449.420 2.606 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 224792630 SKAVEIJOBXGPBY-UHFFFAOYSA-N 435.443 2.508 5 40 IFBB COC(=O)c1ccc(C[N+]2(C[C@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 3178067 LQKKHSYOGFXJLD-FCHUYYIVSA-N 442.532 2.801 5 40 IFBB COc1ccc(C(=S)N2CCOCC2)cc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8989849 IVECFLZDTQCHPR-UHFFFAOYSA-N 447.425 2.739 5 40 IFBB COc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@H]45)[C@H]3C2=O)cc1 33821738 KDZGOUZYBVKMTF-FBGLYXIBSA-N 433.420 2.778 5 40 IFBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@H]2CC[C@H]1C2 108875838 GYYPUIVELSQNGM-NBOOPKSLSA-N 431.489 2.529 5 40 IFBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 224820497 ZYGAKAKPAGNZCQ-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB O=C(c1ccccc1)[C@@H]([C@H](c1cccc([N+](=O)[O-])c1)N1CCOCC1)N1CCOCC1 31613435 UCZZLGBQZYHCMY-FCHUYYIVSA-N 425.485 2.552 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223053026 WYPBVESOSLXLSO-SFHVURJKSA-N 429.473 2.844 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 20802124 IOTGKBWDFPBPKZ-RBUKOAKNSA-N 438.440 2.706 5 40 IFBB CS(=O)(=O)N(CCCC(=O)NCCSCc1ccco1)c1cccc([N+](=O)[O-])c1 222362419 JJQNNMPWHMPWCT-UHFFFAOYSA-N 441.531 2.784 5 40 IFBB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223099255 USWIUMFNJZIIMZ-GOSISDBHSA-N 429.473 2.844 5 40 IFBB O=C(N[C@@H](Cc1ccccc1)C(=O)O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2270604 WBLUOXAUDSSLTK-BSKAQADGSA-N 449.419 2.771 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)s1 12751570 DUCUAIDBGYNPCU-UHFFFAOYSA-N 429.907 2.765 5 40 IFBB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 20792560 XDASKUKOFJTJDC-JSGCOSHPSA-N 433.490 2.726 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4c(C)cccc43)[C@@H]2C1=O 138071750 KXONZDYINQEQJK-YDLHNXBPSA-N 446.463 2.643 5 40 IFBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccccc1F)S(C)(=O)=O 220595046 OWYZIKQOGGKOGW-OAHLLOKOSA-N 425.438 2.926 5 40 IFBB CC(C)NS(=O)(=O)c1ccc(NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 12595809 VYNOJLBEPCEPNO-GASCZTMLSA-N 428.555 2.581 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H](C)c1cc(C)ccc1C)S(C)(=O)=O 22367143 RXJBMLBFGIOZNL-OAHLLOKOSA-N 435.502 2.864 5 40 IFBB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 503519070 YISKYXYEFPKYRO-ORAYPTAESA-N 429.452 2.534 5 40 IFBB CCOC(=O)c1cc(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc([N+](=O)[O-])c1 15175356 PJDUVYHWUWSNAK-UHFFFAOYSA-N 439.468 2.940 5 40 IFBB Cn1cnnc1Sc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 20428569 OBKGHEDWTCLKPT-UHFFFAOYSA-N 442.476 2.976 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OCCCn2c(=O)[nH]c3ccccc32)c([N+](=O)[O-])c1 12682853 UZZQWCZRKHZOTF-UHFFFAOYSA-N 448.501 2.737 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H]2C=CC=NN2[C@H]3C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 18117629 DLBRFBSADBVILO-XSDIEEQYSA-N 444.447 2.809 5 40 IFBB O=C(NC[C@H](c1cccnc1)N1CCc2ccccc2C1)C(=O)Nc1ccc([N+](=O)[O-])cc1 22906759 GIUXCELRYASYJM-JOCHJYFZSA-N 445.479 2.844 5 40 IFBB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220401836 PDIOPNYLUMOCMX-CYBMUJFWSA-N 435.458 2.565 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCCN21 248006582 WAPMDJIAMPNFDS-TYZOXTDXSA-N 446.463 2.643 5 40 IFBB Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 409126521 BWDUNMXFQZICIB-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 10733886 MIHDVZRVXCFYEP-OAHLLOKOSA-N 447.488 2.542 5 40 IFBB CN(C)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17096530 QKHZJDAYUBYWGC-UHFFFAOYSA-N 429.502 2.624 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)c1 9285386 QFVDTLHZVDNEJT-UHFFFAOYSA-N 436.490 2.928 5 40 IFBB C[C@@H](OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)N(C)Cc1cccc(F)c1 12522910 NHBONCSEFOQDDJ-OAHLLOKOSA-N 445.447 2.774 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CCC(C)C)CC2)c([N+](=O)[O-])c1 22687138 LYZRWKKFMDXDPJ-UHFFFAOYSA-N 440.566 2.710 5 40 IFBB Cc1ccc(NS(=O)(=O)c2ccc(NCCc3nc(N)no3)c([N+](=O)[O-])c2)c(C)c1 78903526 OTCCPNPZJCTCFC-UHFFFAOYSA-N 432.462 2.632 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 104072845 IHHBCBQHEQVUOZ-DBYOASNMSA-N 446.463 2.643 5 40 IFBB Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)ccc1[N+](=O)[O-] 12745471 DYUXSHIEYMJGNV-UHFFFAOYSA-N 443.525 2.929 5 40 IFBB CSc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-] 12802065 HAVQKFIEHDTCPP-UHFFFAOYSA-N 441.556 2.961 5 40 IFBB O=C(COc1ccccc1[N+](=O)[O-])Nc1c(C(=O)N2CCOCC2)oc2ccccc12 12906792 DQESFHQRKWOLAK-UHFFFAOYSA-N 425.397 2.831 5 40 IFBB CCOC(=O)N1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(C)nn3c2O)CC1 23157645 BCEZJYVRTFILGJ-HNNXBMFYSA-N 446.489 2.577 5 40 IFBB Cc1nn(CC(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)c(C)c1[N+](=O)[O-] 26002954 RLKABBPBZBLTNR-UHFFFAOYSA-N 436.494 2.797 5 40 IFBB COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc(C(=O)N(C)C)c1C 2101248 YYPVABDGMQUVIT-UHFFFAOYSA-N 436.402 2.614 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1OC 19009092 DOLRNUZNHWRBQU-UHFFFAOYSA-N 449.485 2.651 5 40 IFBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O 32124598 LKBAIHYSHMFJNV-ZSOIEALJSA-N 426.472 2.667 5 40 IFBB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cccc([N+](=O)[O-])c3OC(C)C)C2=O)o1 107757787 WDLDKXBOYIWODV-ZROIWOOFSA-N 429.385 2.855 5 40 IFBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(OC)cc1 220036515 SIVTUOQKFJXSDB-QGZVFWFLSA-N 435.502 2.945 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N2CCO[C@@H](c3cccc(O)c3)C2)c([N+](=O)[O-])c1 84773635 PVNQMSZPCHASQL-HXUWFJFHSA-N 435.502 2.909 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1cccc([N+](=O)[O-])c1 4162313 IDCQCRGROZFUCR-GQSCTRQFSA-N 446.415 2.946 5 40 IFBB CCS(=O)(=O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nn1 9650625 MESFJAFSBBTLLZ-UHFFFAOYSA-N 448.482 2.646 5 40 IFBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Cl)cc2F)cc1[N+](=O)[O-] 16046198 QYUWZOOOGRHGQK-UHFFFAOYSA-N 430.845 2.688 5 40 IFBB Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)cn2)n1 40090341 UHONQBRCFILLJK-AWEZNQCLSA-N 438.419 2.923 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccc([N+](=O)[O-])c1 103644103 JFUZCHZXTWGALT-LATRNWQMSA-N 446.415 2.946 5 40 IFBB Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 224354388 VWXDYQYPTWRDGX-UHFFFAOYSA-N 447.513 2.887 5 40 IFBB CN(C)c1ncc(-c2ccc([N+](=O)[O-])cc2)c([C@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257242421 ICKPINDNZRYUCR-KRWDZBQOSA-N 435.488 2.721 5 40 IFBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC(=O)N(CCc2ccccc2)C1 13131233 QUOLYMHUWJNYSU-KRWDZBQOSA-N 436.424 2.779 5 40 IFBB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32848623 ITUZKNIQTNOQBG-UHFFFAOYSA-N 431.334 2.772 5 40 IFBB COc1cc([C@@H]2N[C@H](c3ccc(O)c(OC)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])ccc1O 33929648 LWFVMHYOVYRDHE-YRPNKDGESA-N 447.444 2.817 5 40 IFBB CCS(=O)(=O)N1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 10009254 XUMSWCGCJQTEGY-MRXNPFEDSA-N 425.850 2.804 5 40 IFBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)N2CCOCC2)c1C 13424272 LEYSQAAWZRJNRJ-UHFFFAOYSA-N 447.469 2.784 5 40 IFBB O=C(O)Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 20153351 REAFXMSLLFYCLF-UHFFFAOYSA-N 428.470 2.949 5 40 IFBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(C)=O 409180022 UPKZYKHNZLLDPH-UHFFFAOYSA-N 432.772 2.803 5 40 IFBB Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 604498005 MTKRUWGKEURQPI-MRXNPFEDSA-N 429.498 2.893 5 40 IFBB CC(C)COc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCCO)cc1 2272334 FEKSCGILUTXOGW-DEDYPNTBSA-N 427.457 2.509 5 40 IFBB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 8708083 NCPWQHSEOWYRQD-UHFFFAOYSA-N 440.481 2.532 5 40 IFBB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C 12972234 ZCMMLEFSUYCCNZ-UHFFFAOYSA-N 438.282 2.576 5 40 IFBB Cn1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 15093655 FOYABTFVCBXBTK-UHFFFAOYSA-N 437.456 2.999 5 40 IFBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCN(c2ncccn2)C1 27607965 UIAOJRRFMZOPDT-CYBMUJFWSA-N 438.410 2.848 5 40 IFBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)Nc1ccccc1 9295607 LXRICICQXAMCST-CSKARUKUSA-N 438.396 2.580 5 40 IFBB C[C@@H](Oc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C(=O)Nc1ccccc1C(F)(F)F 40042808 DCVFZRATZUIRNX-SECBINFHSA-N 433.364 2.667 5 40 IFBB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 84792569 HYEUGIWPAZDPPT-YRYLYKBFSA-N 433.461 2.619 5 40 IFBB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12527165 FNEURJKAKHMICK-UHFFFAOYSA-N 448.426 2.810 5 40 IFBB O=C(c1cccs1)[C@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 170623509 BYOFVPUEDDYENS-JMSVASOKSA-N 447.416 2.631 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 9372928 CRYBRGCBKHCHON-GDBMZVCRSA-N 441.440 2.522 5 40 IFBB COC(=O)C1=C(C(=O)OC)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 32936430 GFMSLXGYCFPZEL-QGZVFWFLSA-N 425.397 2.774 5 40 IFBB O=C(c1cccs1)[C@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 36096789 BYOFVPUEDDYENS-TYNCELHUSA-N 447.416 2.631 5 40 IFBB Cc1ccc2oc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc2c1 59855909 UCTBBZZJCISBRJ-UHFFFAOYSA-N 429.454 2.796 5 40 IFBB CCOC(=O)C1=C(CN2CCc3ccccc3C2)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 67286256 RYUIRNQFRFKWNH-OAQYLSRUSA-N 436.468 2.824 5 40 IFBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)NC1CCCCCC1 12791838 UCYDPMSCELXFPX-OAHLLOKOSA-N 439.534 2.986 5 40 IFBB CC[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535203 ZBIUPEJQCYRQEX-HNNXBMFYSA-N 435.458 2.815 5 40 IFBB CC[C@@H](C(=O)NCCN(C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222542107 KSTVSILCDNAZIK-IBGZPJMESA-N 448.545 2.700 5 40 IFBB Cc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c(C)c1 12554610 HYAYHWGEHXSJJX-UHFFFAOYSA-N 432.546 2.784 5 40 IFBB CN(Cc1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 24207364 FVZVGUJGFQUVNB-UHFFFAOYSA-N 427.429 2.530 5 40 IFBB COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225020857 RYBBJGQAWFYJSU-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB O=C(CSc1nc(=O)n(Cc2cccnc2)c2c1CCC2)Nc1ccccc1[N+](=O)[O-] 15882753 SGLQRVZFMFQWAR-UHFFFAOYSA-N 437.481 2.814 5 40 IFBB COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5Cl)c(=O)c4cc3c2=O)n1 40399006 PXSCPCSWMRWXDU-UHFFFAOYSA-N 448.870 2.667 5 40 IFBB CCOc1cccc(CNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220394695 DCPMSTAHBIDMJV-OAHLLOKOSA-N 435.502 2.773 5 40 IFBB CC(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223761472 VRJQNNNLLGJLSS-UHFFFAOYSA-N 435.502 2.679 5 40 IFBB COc1c(OC(C)=O)ccc(/C=c2\sc3nc4c(C)cc(C)cc4n3c2=O)c1[N+](=O)[O-] 408720665 BQTZNCSNCKNIEK-SXGWCWSVSA-N 439.449 2.916 5 40 IFBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 409231254 JBYCXGJBHGXEJW-RIYZIHGNSA-N 430.804 2.788 5 40 IFBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCOCC2)c1 16839894 VBTWHJNVCDOWGO-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB CN(C(=O)CN1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21)c1ccc([N+](=O)[O-])cc1 32858009 HIEVFYQNGDXOFO-OAQYLSRUSA-N 438.484 2.838 5 40 IFBB CCOc1cccc(CNC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222528391 YHYNLXWZUFBFLU-IBGZPJMESA-N 435.502 2.855 5 40 IFBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 408574470 RCHJTBCHDFGLIK-UHFFFAOYSA-N 443.456 2.508 5 40 IFBB CN1CCN(c2cc(C(=O)c3cc(F)ccc3O)cn3c(=O)c4ccccc4nc23)CC1 12782705 ZTADCONYJLUTRM-UHFFFAOYSA-N 432.455 2.675 5 40 IFBB CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 14271695 ZLPIGWLXHOMWAC-UHFFFAOYSA-N 441.513 2.699 5 40 IFBB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 40390511 PRLYQHUUWUJINA-ZFWWWQNUSA-N 440.460 2.512 5 40 IFBB COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc([N+](=O)[O-])c1 222796215 NYPLKNLCYLRLAH-UHFFFAOYSA-N 433.486 2.959 5 40 IFBB Cc1cc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Br 225006248 NEEJMTBQEUYGSH-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc2c(c1)OCO2 32126404 FMPOJQJAKNPVCX-UHFFFAOYSA-N 448.888 2.814 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1 224736012 RERDERQAHHZOMG-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N[C@H](CN2CCOCC2)c2ccccc2)ccc1Cl 12973649 KKVDYQWUZIJUFQ-QGZVFWFLSA-N 425.894 2.600 5 40 IFBB CCCNC(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)c1 40134392 PHQDTZHILTUAIN-AWEZNQCLSA-N 428.420 2.865 5 40 IFBB CCOC(=O)C1CCN(c2nc(N3CCOCC3)cc(C(F)(F)F)c2[N+](=O)[O-])CC1 43224371 MDKKLGASSVIHKC-UHFFFAOYSA-N 432.399 2.625 5 40 IFBB Cc1ccc(SCCNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 10332889 PPPMJDDHAFYUMJ-UHFFFAOYSA-N 437.543 2.886 5 40 IFBB O=C(Nc1cccc(C(=O)O)c1)C1=[N+](C(=O)OCc2ccc([N+](=O)[O-])cc2)C[C-](S)C1 1560411845 VGIAWCWFOPJPFN-UHFFFAOYSA-N 443.437 2.887 5 40 IFBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12 16837143 MPWNZHZSBCFWCF-UHFFFAOYSA-N 436.471 2.716 5 40 IFBB COc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c2=O)cc1 9518118 ZQYNPPGABINLSW-UHFFFAOYSA-N 427.442 2.814 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCN(c2ccccc2)CC1)n1ccccc1=O 9762492 FMXVFYRKOHCZLQ-QFIPXVFZSA-N 446.463 2.529 5 40 IFBB CCOC(=O)c1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220418273 IXRQGWDZEWSVCD-AWEZNQCLSA-N 449.485 2.873 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1nnc(SC(C)C)s1)S(C)(=O)=O 223561830 GXCSQQBJEAFABP-UHFFFAOYSA-N 445.548 2.660 5 40 IFBB NC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)cc2s1 408749674 ILMYSHHNWXJPGW-UHFFFAOYSA-N 432.439 2.732 5 40 IFBB O=C(O)COc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409357885 RYDYHEOHOYRGML-RQZCQDPDSA-N 442.405 2.977 5 40 IFBB CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 222671548 BLZVSGCICNMPQJ-UHFFFAOYSA-N 435.458 2.551 5 40 IFBB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccc([N+](=O)[O-])cc1Br 57884580 HOTNLFIJAXQJGX-UHFFFAOYSA-N 435.278 2.824 5 40 IFBB Cc1c(N(CCCC(=O)NCCOc2ccccc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224860863 FEEUZLYKHPKQPX-UHFFFAOYSA-N 435.502 2.645 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(SC)cc1 224988789 ZBNLQFXLRILCEL-UHFFFAOYSA-N 426.472 2.694 5 40 IFBB O=C1[C@@H]2[C@@H]3O[C@@H]([C@H]4ON=C(c5cccc([N+](=O)[O-])c5)[C@H]43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 9123921 SORGFXCWQFLVGU-URXDRIIQSA-N 439.811 2.554 5 40 IFBB Cc1ccc(NC(=O)n2cc([N+](=O)[O-])nc2C)cc1NC(=O)n1cc([N+](=O)[O-])nc1C 16347651 LBBKADHRKYFCAJ-UHFFFAOYSA-N 428.365 2.982 5 40 IFBB CC1CCC(NS(=O)(=O)c2ccc(N3CCC[C@@H]3C(=O)N(C)C)c([N+](=O)[O-])c2)CC1 32853542 LIOLBPXQESBMRC-JTTJXQCZSA-N 438.550 2.509 5 40 IFBB Cn1ccnc1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1 58364742 OFIJSRVUABCRMV-HXUWFJFHSA-N 439.447 2.823 5 40 IFBB COCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100627936 GTIWJQRUSDSZBM-INIZCTEOSA-N 431.496 2.574 5 40 IFBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 409234845 NEMRJKRFYMHOTQ-OQLLNIDSSA-N 430.804 2.788 5 40 IFBB CCc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1 9459572 UBCLOLQGYMGNPS-IBGZPJMESA-N 432.498 2.752 5 40 IFBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(NS(=O)(=O)c2cccs2)CC1 11450532 ZMPGMIPFMVBMGP-UHFFFAOYSA-N 429.907 2.893 5 40 IFBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 15175596 MVOWSXCDEMRYAL-UHFFFAOYSA-N 427.413 2.580 5 40 IFBB C[C@@H]1CCC[C@@H](C)N1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)N2 38828494 VAFJVBLMCARFIL-JMSVASOKSA-N 440.460 2.510 5 40 IFBB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6906785 ZSXVCAIRBVEXGR-UHFFFAOYSA-N 447.425 2.739 5 40 IFBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 20456950 WXNGBYIDNSIRIV-UHFFFAOYSA-N 434.455 2.591 5 40 IFBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)nc(C)n1 3291796 KLVHTCPJMRDZKJ-UHFFFAOYSA-N 441.469 2.984 5 40 IFBB O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])N1CCCc2ccccc21 8750705 YTMCUOFSOOEZAE-UHFFFAOYSA-N 445.497 2.738 5 40 IFBB Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCCN21 9287082 XXWJWFMHFBTDCO-FVJVTNMWSA-N 446.463 2.643 5 40 IFBB COc1ccc(CN(C)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1F 32722406 XBXJNUOWNCLPDA-UHFFFAOYSA-N 426.404 2.869 5 40 IFBB COc1ccc(CN(C)C(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220377740 YIINEBYBHRSBRZ-HNNXBMFYSA-N 435.502 2.725 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCCN21 248097002 IHHBCBQHEQVUOZ-AZXNSQLWSA-N 446.463 2.643 5 40 IFBB CC1CCN(S(=O)(=O)c2ccc(NCC(C)(C)N3CCOCC3)c([N+](=O)[O-])c2)CC1 12553853 FMQILYRHVVFWBO-UHFFFAOYSA-N 440.566 2.538 5 40 IFBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 32999811 ZFUXSLFQDMRLJT-OAQYLSRUSA-N 444.447 2.816 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 102885486 MUDFLOGWSRAWHE-FLFXDLLNSA-N 446.463 2.588 5 40 IFBB CC(=O)C1=NN(c2cccc([N+](=O)[O-])c2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 103769269 PNECACSGKDMMOY-AEFFLSMTSA-N 426.816 2.880 5 40 IFBB CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1 108084936 OWFRGUZOZRONHU-YCRREMRBSA-N 441.371 2.899 5 40 IFBB CC(C)OCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 409310270 SXPZPUVFGYCFEQ-UHFFFAOYSA-N 435.502 2.721 5 40 IFBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 14022872 VKAGZZJRPDSMBB-HNNXBMFYSA-N 433.486 2.951 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2cccc3cccnc23)CC1 24925037 CEZQRBRANNYDKK-UHFFFAOYSA-N 426.498 2.958 5 40 IFBB COC(=O)c1ccccc1/N=c1\nc2[nH]c3ccccc3c(=O)n2cc1Br 100744372 CCIOBHPUWHXDER-UHFFFAOYSA-N 425.242 2.957 5 40 IFBB biogenic COc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 222369590 WZLCANLYIYKOJW-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB Cc1cc(OC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc1N1C(=O)CCC1=O 408664077 NOOIIIVBKAIDSI-CQSZACIVSA-N 437.408 2.515 5 40 IFBB COc1cc(NC(=O)COC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)c(C)cc1[N+](=O)[O-] 12539719 HVMHTLXAHAGMAT-FQEVSTJZSA-N 443.456 2.848 5 40 IFBB CS(=O)(=O)c1ccc(NCCNC(=O)Cc2c(F)cccc2Cl)c([N+](=O)[O-])c1 12634554 XWCCEPKIDDSMFA-UHFFFAOYSA-N 429.857 2.562 5 40 IFBB O=C(N[C@H](Cc1ccccc1)C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32999820 HMMFNYZLOYOQTH-MOPGFXCFSA-N 439.493 2.847 5 40 IFBB COc1ccc(CN(C)C(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222683214 LWPOFIXEDDITKW-UHFFFAOYSA-N 435.502 2.808 5 40 IFBB Cc1nc(S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 409188575 DSWRCSFFIMMHHC-WTKPLQERSA-N 448.198 2.549 5 40 IFBB COc1ccc(C(=O)NCC(=O)NCCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 9376401 ZHWMJBTZDMMIQG-UHFFFAOYSA-N 425.363 2.711 5 40 IFBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9064702 SAYXMOALVJYOEM-UHFFFAOYSA-N 449.420 2.606 5 40 IFBB CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254761708 XJJJMFWPPXFHSX-OAGGEKHMSA-N 433.417 2.724 5 40 IFBB CN(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 17096531 PBIXCVXTVIPXLT-UHFFFAOYSA-N 429.502 2.624 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc2C1)S(C)(=O)=O 222369923 HGFYTKRIHYWAQV-UHFFFAOYSA-N 447.513 2.735 5 40 IFBB COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@@H](C)C(=O)O 409241239 SJAPFTDCLWCGNL-KPENOIPVSA-N 441.396 2.548 5 40 IFBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc(C(N)=O)c1C 2729659 JCMSYBYUGUIFCG-UHFFFAOYSA-N 436.402 2.709 5 40 IFBB Cc1c(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-] 3306973 OHVJIWARXHMQJX-UHFFFAOYSA-N 436.515 2.733 5 40 IFBB CCOC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc2c1CCC2 15125645 UASSOMGQZCYTIR-UHFFFAOYSA-N 448.501 2.777 5 40 IFBB O=[N+]([O-])c1ccc(Nc2ccc(N3CCOCC3)cc2)c(S(=O)(=O)N2CCCC2)c1 32667844 ZKEVSSWULNPCQC-UHFFFAOYSA-N 432.502 2.960 5 40 IFBB NC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 9060953 NQTFWHJBPXHLQB-UHFFFAOYSA-N 430.486 2.723 5 40 IFBB O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1ccc([N+](=O)[O-])cc1Br 9631259 VTUXGQYLXBQQHL-OAHLLOKOSA-N 437.202 2.679 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1 10295819 LRPMLJBBLJXCPL-SFHVURJKSA-N 432.400 2.837 5 40 IFBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H]1CCCCN1c1ncccn1 40070038 KULZRHVFWLSVPR-HNNXBMFYSA-N 438.410 2.991 5 40 IFBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccc(OC)c(OC)c2)c1=N 100751783 XBYNAALWKITAPM-UHFFFAOYSA-N 448.479 2.565 5 40 IFBB biogenic CCCNC(=O)c1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412933 YZGDNUHOZXEPEJ-AWEZNQCLSA-N 448.501 2.528 5 40 IFBB COC(=O)CN1C(=O)N/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 408548561 ISRRPSXECRKQJE-VCHYOVAHSA-N 434.408 2.664 5 40 IFBB Cc1c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 9064699 LVAVASSOIIDAKZ-UHFFFAOYSA-N 445.457 2.775 5 40 IFBB COc1ccc(NC(=S)NC(=O)CCC(=O)OCCc2ccccc2)c([N+](=O)[O-])c1 12137264 UHBFKPXLVKWXFK-UHFFFAOYSA-N 431.470 2.983 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCCN21 15990265 WAPMDJIAMPNFDS-QLBZUPSYSA-N 446.463 2.643 5 40 IFBB Cn1ccnc1[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F 26884910 QUTJYQKMDQHCHI-FQEVSTJZSA-N 439.447 2.823 5 40 IFBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCC(=O)N3CCCC3)c([N+](=O)[O-])c2)C1 32717244 CXGCNNOHDDMFPY-IYBDPMFKSA-N 438.550 2.686 5 40 IFBB O=C(COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1cccc([N+](=O)[O-])c1 103644109 JFUZCHZXTWGALT-PBFVBANWSA-N 446.415 2.946 5 40 IFBB CCSc1nnc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 225132857 OVNNKULYHAOPMR-SNVBAGLBSA-N 445.548 2.660 5 40 IFBB CO[C@@H]1C[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1 4974941 NGKKKFKTIZCIEN-BZSNNMDCSA-N 446.368 2.647 5 40 IFBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCN1[C@H]2c1ccc(F)cc1 102691604 TTXAYVNAUGHDQE-FGTMMUONSA-N 430.823 2.923 5 40 IFBB COCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23 8878730 IYIDAVQFLUKADI-UHFFFAOYSA-N 431.448 2.985 5 40 IFBB biogenic COc1ccccc1[C@@H](C)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 12563250 JHZXCCMAFNGLPK-OAHLLOKOSA-N 426.473 2.763 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@]1(O)C(F)(F)F 1805999 KOBVYOOJDQINFH-ZOWXZIJZSA-N 431.417 2.925 5 40 IFBB COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(F)c(F)c2F)c([N+](=O)[O-])c1 9491315 AMZHFHIWIHRRQN-UHFFFAOYSA-N 426.351 2.530 5 40 IFBB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 20792557 XDASKUKOFJTJDC-OCCSQVGLSA-N 433.490 2.726 5 40 IFBB Cn1ccnc1[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F 26884914 QUTJYQKMDQHCHI-HXUWFJFHSA-N 439.447 2.823 5 40 IFBB COc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395456 ZVBWOIGINXKBLC-CABCVRRESA-N 435.502 2.944 5 40 IFBB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 7367641 FOVVEBLFSIOWFM-UHFFFAOYSA-N 425.489 2.838 5 40 IFBB O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 9356613 FZBYWHNXSWVCDM-QGZVFWFLSA-N 438.889 2.843 5 40 IFBB O=C(CSC(=S)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)Nc1cccc([N+](=O)[O-])c1 13572210 NOTCVXPHGRRRSW-KGLIPLIRSA-N 444.538 2.832 5 40 IFBB COc1ccc(Cn2ccc3nc4ccn(-c5nc(SC)n[nH]5)c(=O)c4cc3c2=O)cc1 40398879 IBCYMDHZRWONBU-UHFFFAOYSA-N 446.492 2.598 5 40 IFBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNC(=O)c1n[nH]c2ccccc12 69950336 VBEXZGPDFXGBJT-UHFFFAOYSA-N 439.475 2.577 5 40 IFBB CC(C)Oc1cccc(CNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415246 DLEIKUMJJAZCOT-OAHLLOKOSA-N 435.502 2.853 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 8861454 CBHNDXQCOYFXKU-UHFFFAOYSA-N 427.504 2.735 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)NC12CC3CC(CC(C3)C1)C2 9630660 YLTNITQFKIZIMK-UHFFFAOYSA-N 443.500 2.673 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N3)cc1 10295814 LRPMLJBBLJXCPL-GOSISDBHSA-N 432.400 2.837 5 40 IFBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCCN21 35833054 IHHBCBQHEQVUOZ-MTXNFPGFSA-N 446.463 2.643 5 40 IFBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2[N+](=O)[O-])nn1 2298183960 RSWKYWRULVTAKM-UHFFFAOYSA-N 441.444 2.537 5 40 IFBB COCCn1c(Sc2c(N)c3cc([N+](=O)[O-])ccc3[nH]c2=O)nc2ccccc2c1=O 5929314 ISMQFSJPUFGRQS-UHFFFAOYSA-N 439.453 2.526 5 40 IFBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)n1C[C@H]1CCCO1 8780248 HVYWBADEPLAXMK-QGZVFWFLSA-N 445.472 2.636 5 40 IFBB CC(=O)Nc1ccc(S(=O)(=O)NCCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 9319735 ZODISLNLLPTPSS-UHFFFAOYSA-N 426.882 2.987 5 40 IFBB CCOc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1 10272633 WVUDMFLAZKKSRQ-OALUTQOASA-N 431.470 2.601 5 40 IFBB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 48340933 IFVFKKVVOSREFV-AWEZNQCLSA-N 429.502 2.778 5 40 IFBB C[C@H](OC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)c1ccc(F)cc1 9509135 ICWFIDFSFIQPBD-KGLIPLIRSA-N 431.420 2.663 5 40 IFBB Cc1nn(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1S(=O)(=O)N1CCCCCC1 28297218 ZEYAWRBODRQFHI-UHFFFAOYSA-N 436.490 2.692 5 40 IFBB Nc1c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc(F)cc1[N+](=O)[O-] 59363085 XWXGTLFEIJFBAA-UHFFFAOYSA-N 429.404 2.822 5 40 IFBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102801002 MXJIHONUPNMTOX-ABAIWWIYSA-N 446.294 2.936 5 40 IFBB CCCc1ccc(OCCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 223776551 DAQKYGGEDDUGNG-UHFFFAOYSA-N 435.502 2.509 5 40 IFBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 9601299 RVFWJPYGSGNIRM-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)NCc1ccco1 2720076 GQTIPIXRJGKWDO-UHFFFAOYSA-N 444.494 2.790 5 40 IFBB O=C(c1ccc(-n2cccc2)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 8718206 DTSLRESWFULHNQ-UHFFFAOYSA-N 440.481 2.532 5 40 IFBB CCN(c1ccccc1)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 79063991 SPAOZLMYTJCDIQ-DLBZAZTESA-N 432.502 2.876 5 40 IFBB Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1 89614491 IZLVYMLKZGCBIK-UHFFFAOYSA-N 449.554 2.837 5 40 IFBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100575496 JYSHPOZBFNJAAJ-BMEPFDOTSA-N 431.404 2.931 5 40 IFBB COCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1866688 IBCJLCGHCBIGCU-NZQKXSOJSA-N 448.479 2.798 5 40 IFBB biogenic COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc(C)cc1)N1CCC[C@H]21 9486892 XRFUZDGZJQPXTQ-QYRPDUKASA-N 449.463 2.747 5 40 IFBB CC(=O)N(c1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)s1)C1CC1 12523389 MQJHIFMTXFUBGU-UHFFFAOYSA-N 434.547 2.877 5 40 IFBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1 224734752 XPYJVAJBLFDWHI-UHFFFAOYSA-N 429.248 2.726 5 40 IFBB COc1cc(N(CC(=O)O)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl 225093157 WXKBVWUHQDXVAB-UHFFFAOYSA-N 444.849 2.854 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)c1ccccc1 408653946 QEALQNNXTZDKQW-RTBURBONSA-N 433.420 2.786 5 40 IFBB CCOc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 2648504 BMMKLORZDAJYSA-CYBMUJFWSA-N 437.474 2.795 5 40 IFBB CC[C@H](C(=O)Nc1ccccc1C(=O)OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515610 GGRPKPLQMIVKQU-QGZVFWFLSA-N 435.458 2.565 5 40 IFBB COC(=O)c1ccc(C[N+]2(C[C@@H](O)COC[C@@H]3COc4ccccc4O3)CCCC2)cc1 3178069 LQKKHSYOGFXJLD-FGZHOGPDSA-N 442.532 2.801 5 40 IFBB COc1cccc(CC(=O)NCCN2C(=O)S/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)c1 3561550 DXMMYGIEYWYHCH-PDGQHHTCSA-N 441.465 2.999 5 40 IFBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCOCC1 9860231 SOGNSDKFMGHUQW-UHFFFAOYSA-N 441.495 2.774 5 40 IFBB Cc1nn(Cc2ccc(C(=O)NCCCN3C[C@H](C)O[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 23509468 NCOHZHKQIDEIJP-HOTGVXAUSA-N 429.521 2.686 5 40 IFBB COc1cc(/C=C2/N=C(c3cc(OC)c(OC)c(OC)c3)OC2=O)c([N+](=O)[O-])cc1OC 96635110 CSMZHSIDGVTKSG-AWNIVKPZSA-N 444.396 2.982 5 40 IFBB CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 6172312 MXJSKIBKVFSWBG-UHFFFAOYSA-N 438.893 2.582 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCOCc1ccccc1 15143301 VEQBSDMFIVGMEJ-UHFFFAOYSA-N 435.502 2.635 5 40 IFBB COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1OC 32854563 KDIBCXRDZCUOQG-KRWDZBQOSA-N 429.473 2.633 5 40 IFBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc5c(c4)OCO5)c(=N)n(C(C)C)c3nc12 101142238 GJNLDFQEDZECPO-UHFFFAOYSA-N 445.479 2.677 5 40 IFBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 103491535 MOEVTQPOSDPZHA-VNHYZAJKSA-N 447.517 2.972 5 40 IFBB Cc1ccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 224820643 OVFMPGQUVXKVRO-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB CCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 9892703 VVTVPAIOAMSPRC-UHFFFAOYSA-N 429.429 2.626 5 40 IFBB CC(C)c1cccc(OCC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 32745350 DCLWWVRVRVOFCG-UHFFFAOYSA-N 447.513 2.630 5 40 IFBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1C 36396933 YXDKZSJKSTZDSN-UHFFFAOYSA-N 446.529 2.770 5 40 IFBB Cc1nn(C)c(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC(C)C)c1[N+](=O)[O-] 2781971 FEPMFGGHUZOGFJ-UHFFFAOYSA-N 437.478 2.526 5 40 IFBB CCOCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 101157965 FWARLZWWSCWMCF-UHFFFAOYSA-N 445.523 2.794 5 40 IFBB Cc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 409349411 PSLHKYFGTNQLGB-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB COc1ccc(NC(=O)COC(=O)CCc2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 9661672 JVOJOFLSXBJMFN-UHFFFAOYSA-N 448.428 2.744 5 40 IFBB Cc1ccc(C(=O)NCC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)cc1[N+](=O)[O-] 32843409 PAGSCXCLZQHEST-NRFANRHFSA-N 427.457 2.918 5 40 IFBB CCOC(=O)c1cccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222527621 VBLHFRRRPLRCJN-GOSISDBHSA-N 449.485 2.955 5 40 IFBB CCn1c(CC(=O)Nc2nccs2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 9583067 ULBVIDBQFBGVRG-UHFFFAOYSA-N 447.502 2.575 5 40 IFBB CN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12554945 FLXYKOYTFSJWPI-UHFFFAOYSA-N 425.894 2.906 5 40 IFBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12557741 PTDNTUNJAMUZEW-UHFFFAOYSA-N 426.381 2.600 5 40 IFBB CCN1CCN([C@@H](c2cccs2)[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23181905 DUKABAPPUREZJZ-HNAYVOBHSA-N 438.575 2.702 5 40 IFBB COc1cc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c([N+](=O)[O-])cc1OC 24135121 JFGGLZLVWDWLBF-UHFFFAOYSA-N 427.457 2.505 5 40 IFBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 12785434 ZURKGLLCRJNJLV-UHFFFAOYSA-N 449.916 2.884 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 21129514 XGKQVCHAFLAJHW-OLZOCXBDSA-N 445.403 2.666 5 40 IFBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 10216021 GUYVMPUEGLFFEH-UHFFFAOYSA-N 427.413 2.580 5 40 IFBB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 14198753 WDAPTLOEEFCIRX-LLVKDONJSA-N 432.385 2.873 5 40 IFBB CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16682557 XJJJMFWPPXFHSX-OWCLPIDISA-N 433.417 2.724 5 40 IFBB CCCn1c(=N)c(C(=O)NCCc2ccc(OC)cc2)cc2c(=O)n3cccc(C)c3nc21 101142440 CPNAXYIAUBGAEQ-UHFFFAOYSA-N 445.523 2.828 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O 222374075 TZLPVXRZKWHLTM-UHFFFAOYSA-N 435.458 2.817 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O 222375125 ZJXZGTCWXBBKAR-UHFFFAOYSA-N 449.485 2.859 5 40 IFBB COc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 12650336 HVHFGHSAFSXEDK-RIYZIHGNSA-N 431.382 2.912 5 40 IFBB COc1cc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O2)cc(OC)c1OC 408837992 BEHNKUVJPNXBMO-AWNIVKPZSA-N 429.341 2.873 5 40 IFBB COc1ccc(NC(=O)[C@@H](C)N2CCCN(Cc3nccn3C(C)C)CC2)c([N+](=O)[O-])c1 533413994 XWQVBIGUHKQNKV-QGZVFWFLSA-N 444.536 2.916 5 40 IFBB COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6906826 BLXCJEXDKVQXSJ-UHFFFAOYSA-N 447.425 2.739 5 40 IFBB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)cnc21 12071811 DPADEMCWPYTHQY-UHFFFAOYSA-N 440.504 2.882 5 40 IFBB CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@@H]32)C1=O 102792245 WOFRBXRXDAHTHO-HWQRQEAJSA-N 426.473 2.619 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1cccc2ccccc12)S(C)(=O)=O 222847094 HMOSYPXZBDVREO-UHFFFAOYSA-N 443.481 2.839 5 40 IFBB O=C(COC(=O)c1ccc(I)cc1)Nc1ccccc1[N+](=O)[O-] 12648536 VHWHXKGHCPRFNG-UHFFFAOYSA-N 426.166 2.995 5 40 IFBB Cc1csc(Sc2ccc(C(=O)OCC(=O)NC(=O)NC(C)C)cc2[N+](=O)[O-])n1 13134872 BDTSZBXFZRNUGG-UHFFFAOYSA-N 438.487 2.902 5 40 IFBB O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9097093 MJYPNGSZVCSSEI-UHFFFAOYSA-N 446.397 2.827 5 40 IFBB COc1ccc(C)cc1CN(C)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 9918730 ONRPXFGWTUYXJT-UHFFFAOYSA-N 440.500 2.853 5 40 IFBB CCCC(CCC)C(=O)NCCn1ncc2c(=O)n(Cc3ccc([N+](=O)[O-])cc3)cnc21 12071942 YQTHCOIETHUHBF-UHFFFAOYSA-N 440.504 2.882 5 40 IFBB CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 32194115 WBFBUFRGLTVWPW-ONNFQVAWSA-N 431.220 2.662 5 40 IFBB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220423130 JACRUYJUNZARDM-JKSUJKDBSA-N 435.502 2.641 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223099197 USWIUMFNJZIIMZ-SFHVURJKSA-N 429.473 2.844 5 40 IFBB CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C 22253002 KRNZQCSQZOCCJF-UHFFFAOYSA-N 437.474 2.959 5 40 IFBB CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3[C@H]4CC(C)(C)C[C@](C)(C4)[C@@H]32)C1=O 102778737 DHODMZNNQNKHKU-JIGPKXGUSA-N 440.500 2.961 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N[C@@H]1CCCc2ccccc21 9963929 DDJMDHHVKPKSHF-HXUWFJFHSA-N 439.468 2.782 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N[C@H]1CCCc2ccccc21)S(C)(=O)=O 22367472 VWKVZUOVJOYHFV-KRWDZBQOSA-N 433.486 2.563 5 40 IFBB CCN(CC)[C@H](CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccsc1 31195720 PHPGZENOUGLMOX-GOSISDBHSA-N 432.550 2.966 5 40 IFBB COc1cc([C@H]2[C@@H]3SC(N)=NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 136608031 AJGNHEZSJSKDCB-GJZGRUSLSA-N 430.402 2.522 5 40 IFBB O=C(CN(C(=O)c1ccccc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408678823 DIHVNIBQLINOAJ-LVNJIZSUSA-N 447.447 2.866 5 40 IFBB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1C 9512062 JFEWWSITUWHOPY-UHFFFAOYSA-N 429.429 2.966 5 40 IFBB Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccccc4[N+](=O)[O-])nc13)O2 17096387 FUBQEBYHJHEBEX-HNNXBMFYSA-N 429.400 2.750 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1CC(C)C 19991403 QAWRGWLJNKXHHI-UHFFFAOYSA-N 448.549 2.714 5 40 IFBB CCc1cccc2c1NC(=O)[C@]21[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCCN21 35855233 MUDFLOGWSRAWHE-ZVVFGRKBSA-N 446.463 2.588 5 40 IFBB CCc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 138815000 BUQKXKCUOKSVLE-OAHLLOKOSA-N 441.440 2.701 5 40 IFBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1 12529798 WMOQNRWGQKLPIH-AWEZNQCLSA-N 446.843 2.931 5 40 IFBB COc1cc([C@H]2[C@H]3SC(N)=NC3=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O 16196031 AJGNHEZSJSKDCB-LSDHHAIUSA-N 430.402 2.522 5 40 IFBB CCOC(=O)[C@@H]1C(=O)N(CCOC)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 20802368 MKKSNLBGWHOXHE-OALUTQOASA-N 438.440 2.706 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220389972 DQBMUVOJENFNNY-CYBMUJFWSA-N 436.446 2.913 5 40 IFBB CC[C@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523179 DZHNVJJWWOQDLA-GOSISDBHSA-N 449.485 2.873 5 40 IFBB CCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 222978024 JUIWQWDZRCPMFW-CQSZACIVSA-N 433.436 2.675 5 40 IFBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccccc1 12583893 NGNDWWMLCUJZTG-OAHLLOKOSA-N 434.408 2.503 5 40 IFBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 32999810 ZFUXSLFQDMRLJT-NRFANRHFSA-N 444.447 2.816 5 40 IFBB CN(C)c1ncc(-c2ccc([N+](=O)[O-])cc2)c([C@@H]2CCCN(C(=O)Cn3cccn3)C2)n1 257242422 ICKPINDNZRYUCR-QGZVFWFLSA-N 435.488 2.721 5 40 IFBB CCN(CC)[C@H](CNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C 12561772 RYDDYAFJDPKCTO-KRWDZBQOSA-N 442.582 2.784 5 40 IFBB Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 12991660 DZKOQLVCWHQXCH-GOSISDBHSA-N 439.921 2.908 5 40 IFBB COc1cc([C@@H]2N[C@H](c3ccc(O)c(OC)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])ccc1O 13382251 LWFVMHYOVYRDHE-IYWMVGAKSA-N 447.444 2.817 5 40 IFBB COCCNC(=O)c1ccccc1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 25166086 IINPTQIUHJWZSH-UHFFFAOYSA-N 426.473 2.826 5 40 IFBB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] 27355303 SSBKSERLWJECJS-UHFFFAOYSA-N 426.351 2.663 5 40 IFBB CCOC(=O)c1c(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)sc(C)c1C 15125661 BOOGITNESFJMGP-UHFFFAOYSA-N 436.490 2.905 5 40 IFBB CCOC(=O)c1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222366314 UBLZTPYJZGJBQW-UHFFFAOYSA-N 449.485 2.956 5 40 IFBB CN(Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O 408702502 HMDIUDMRUKUOGN-UHFFFAOYSA-N 427.866 2.657 5 40 IFBB Cc1[nH]nc2c1[C@H](c1cnn(C)c1)c1c(ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc13)O2 13961108 SGKNWFDDPARLJC-HNNXBMFYSA-N 429.400 2.750 5 40 IFBB CCOC(=O)C1=C(N)O[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16682555 XJJJMFWPPXFHSX-PMPSAXMXSA-N 433.417 2.724 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N3)cc1 10295806 KDNVGPBXRSKJOW-SFHVURJKSA-N 432.400 2.837 5 40 IFBB CNc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1[N+](=O)[O-] 10376782 CPZTWDOGCZDSGI-UHFFFAOYSA-N 438.531 2.803 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccc(Cl)cc1)S(C)(=O)=O 20495151 CBQFKOWSLPOTIF-UHFFFAOYSA-N 441.893 2.681 5 40 IFBB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 40012108 KTESVOYCMUQREX-SFHVURJKSA-N 444.557 2.986 5 40 IFBB CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)C1 58106503 RDWXYQLMFLPTTN-HNNXBMFYSA-N 433.486 2.789 5 40 IFBB CSc1nnc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)s1 224849701 NLBTXPFOAHAQNI-UHFFFAOYSA-N 445.548 2.662 5 40 IFBB Cc1nn(CCCNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)c(C)c1Br 2730693 PBNVHAIGKKOJFL-UHFFFAOYSA-N 433.694 2.617 5 40 IFBB C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 8630625 HERATOWANHIDLA-GJZGRUSLSA-N 434.470 2.750 5 40 IFBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 9526031 FFXTUKJGLZQPPR-GFCCVEGCSA-N 447.831 2.792 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C[C@H]1Sc2ccccc2NC1=O 14068277 QKJDMUSOXMHNQH-APPDUMDISA-N 445.453 2.977 5 40 IFBB COc1ccc(CCn2c(=N)c(C(=O)NC(C)C)cc3c(=O)n4cccc(C)c4nc32)cc1 101174829 WIABYKZHOBWSQG-UHFFFAOYSA-N 445.523 2.827 5 40 IFBB COc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395397 ZVBWOIGINXKBLC-LSDHHAIUSA-N 435.502 2.944 5 40 IFBB C[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 3454179 AZJFRZJEFIWRBF-LLVKDONJSA-N 444.425 2.612 5 40 IFBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 103064864 GYYPUIVELSQNGM-BVIKNXMNSA-N 431.489 2.529 5 40 IFBB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543689 QNGFGJPXKAIZDC-QGZVFWFLSA-N 435.502 2.807 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O 409412398 WAMLDFIDPZOEJN-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N[C@H](c2ccc3c(c2)OCO3)[C@@H]1[N+](=O)[O-] 33929433 KOGKQDDNBIWGRO-JVSBHGNQSA-N 443.412 2.846 5 40 IFBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 35570621 HRSWXPBHQXZLBK-JJRVBVJISA-N 441.387 2.569 5 40 IFBB COC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225083313 VWXUEXPEXMYJGM-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB COc1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1 12986884 NZWPGKYPKVZRST-UHFFFAOYSA-N 426.760 2.976 5 40 IFBB CC(=O)C1=NN(c2ccccc2[N+](=O)[O-])[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769300 OOYCQVXADWPACX-FUHWJXTLSA-N 426.816 2.880 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1 408670088 WPQYLRWNNRYPOR-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB NC(=O)CSc1nc2ccc(Br)cc2c2nc(=O)c(-c3ccccc3)nn12 585157914 LIAMBXLGHGPAHJ-UHFFFAOYSA-N 442.298 2.645 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1 9714615 XQQABXNVCFXJIO-UHFFFAOYSA-N 441.469 2.689 5 40 IFBB Cc1nn(Cc2ccc(C(=O)NCCCN3C[C@H](C)O[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 23509465 NCOHZHKQIDEIJP-IYBDPMFKSA-N 429.521 2.686 5 40 IFBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-] 219823629 OJYMLNAWNUWAQT-HNNXBMFYSA-N 429.429 2.530 5 40 IFBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(C)c1 224661064 ZBNUEACBUISFIC-UHFFFAOYSA-N 428.850 2.934 5 40 IFBB CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 409176291 ZXFAVRWNYNLACQ-UHFFFAOYSA-N 440.485 2.867 5 40 IFBB CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 12522348 IDIJKMFKPGPWHT-UHFFFAOYSA-N 425.894 2.906 5 40 IFBB CCn1c(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)nc2ccccc21 32743514 LIJAKEVHMVNCJZ-UHFFFAOYSA-N 445.501 2.597 5 40 IFBB CC[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N2 40390574 IYRIBJQGEJMMKT-STQMWFEESA-N 440.460 2.512 5 40 IFBB COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C 45221714 OLFNAISOLPOLIZ-AWEZNQCLSA-N 443.460 2.929 5 40 IFBB COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 9892715 LEFSZJFBALUXDE-UHFFFAOYSA-N 440.456 2.611 5 40 IFBB CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1 12758390 KKGQDKCTZQWAKZ-UHFFFAOYSA-N 440.481 2.857 5 40 IFBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC4(CC3)OCCO4)c(O)n2n1 37355759 ZQTIUXHBPJSXNX-HNNXBMFYSA-N 431.474 2.641 5 40 IFBB O=c1c([N+](=O)[O-])c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)nc2ccccn12 40083096 GFTNDACVZDKBRC-INIZCTEOSA-N 429.864 2.742 5 40 IFBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N[C@H]1CCCc2ccccc21 16051201 OQOXGIPKDPBNEL-IBGZPJMESA-N 439.468 2.782 5 40 IFBB CC[C@@H](C(=O)NCc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534776 VMCXHBOYJGBPOJ-SFHVURJKSA-N 435.502 2.773 5 40 IFBB COc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1OC 223597061 RSJGFUAYJGEIEU-UHFFFAOYSA-N 448.457 2.791 5 40 IFBB Cc1ccc(-c2nnc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)s2)cc1 224599211 PDOJMQARXCJYTA-UHFFFAOYSA-N 447.498 2.826 5 40 IFBB CS(=O)(=O)N(CC(=O)NCc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 225342899 ZMVGQSLNAYBPJT-UHFFFAOYSA-N 431.392 2.696 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 253486882 ALIPBAZNQJSQLD-GTAWCEEGSA-N 430.420 2.500 5 40 IFBB COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(C)=O)cc2)c([N+](=O)[O-])c1 409180408 RZSWKWYSBIPSGC-UHFFFAOYSA-N 444.396 2.674 5 40 IFBB CC[C@@H](C(=O)NC)N(Cc1cccc(OC)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223410559 KAMTWKRNPREVMG-SFHVURJKSA-N 445.472 2.544 5 40 IFBB O=C(Nc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1)C1CC1 12528217 QOXXLPTZGIUPCN-UHFFFAOYSA-N 446.485 2.708 5 40 IFBB Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cn2)n1 40145576 XPNZSKUVFSBOOK-UHFFFAOYSA-N 436.472 2.559 5 40 IFBB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222545491 ZPMIDDSWJDWFAO-INIZCTEOSA-N 437.474 2.795 5 40 IFBB COc1cc(N(CC(=O)O)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 225015345 JNYZXKWCYCCWRQ-UHFFFAOYSA-N 430.822 2.545 5 40 IFBB O=C(CSc1nnc(NC(=O)CN2CCCCC2)s1)Nc1ccc([N+](=O)[O-])cc1 15188123 DRQZGTVSBRLHBB-UHFFFAOYSA-N 436.519 2.602 5 40 IFBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 32127696 ZAHGMSRJIQQPGV-UHFFFAOYSA-N 426.473 2.917 5 40 IFBB CCn1c(=O)c(C)nc2cc(C(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)ccc21 39977885 WBFCINBKWYRDRT-UHFFFAOYSA-N 428.376 2.568 5 40 IFBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 40161868 FBQIVLLYZICSTI-KRWDZBQOSA-N 433.380 2.869 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccc(C)cc3)N3CCC[C@@H]3[C@@H]2C1=O 217579507 XRFUZDGZJQPXTQ-RCOXNQKVSA-N 449.463 2.747 5 40 IFBB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224043854 OKFMYBHRDHFSRS-HNNXBMFYSA-N 445.472 2.544 5 40 IFBB CN(C)c1ccc(C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8747461 SAAUFIAFTKSWIU-UHFFFAOYSA-N 444.488 2.612 5 40 IFBB O=C(NCc1ccco1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9545813 ODGUEJJPNFHLOQ-UHFFFAOYSA-N 427.866 2.558 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 10756033 HDBFFVZDHMCRTP-GFCCVEGCSA-N 425.488 2.704 5 40 IFBB CC1(C)C[C@@H](NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 22347968 GIZMVXXYIYCDLG-QGZVFWFLSA-N 433.486 2.779 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(C)=O)N1C=Cc3ccccc3[C@@H]21 248381645 UPBYRKFPAKVBFS-MHTWAQMVSA-N 433.420 2.708 5 40 IFBB O=[N+]([O-])c1ccc(Sc2nnc(CN3CCOCC3)n2-c2ccccc2)c2nonc12 408607604 TZCTXPVYKRBQFB-UHFFFAOYSA-N 439.457 2.695 5 40 IFBB COc1ccccc1CN(C)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 12592148 CRNSTZNPOAUKNK-UHFFFAOYSA-N 426.473 2.544 5 40 IFBB C[C@@H]1CN(C(C)(C)CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C[C@@H](C)O1 22357667 XPOBYISAESMNLF-HUUCEWRRSA-N 442.582 2.971 5 40 IFBB COc1c(I)cc(/C=C/C(=S)N2CCOCC2)cc1[N+](=O)[O-] 32189230 VHNXDBMPMNSFOF-NSCUHMNNSA-N 434.255 2.881 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 32994641 NLYRKVSBCXYDCC-UHFFFAOYSA-N 435.458 2.649 5 40 IFBB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224034700 JQJQSRYWDQPYLC-MRXNPFEDSA-N 435.502 2.561 5 40 IFBB O=C(C[C@H]1C(=O)N[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 9361046 YGFKRLXIPKWQNC-AABGKKOBSA-N 436.468 2.875 5 40 IFBB COc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408764946 ULIYEEQDDGMDAD-NVNXTCNLSA-N 435.439 2.510 5 40 IFBB CCN(CC(=O)Nc1c(F)cccc1F)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 12594681 SNVUEAURVMVHMQ-UHFFFAOYSA-N 429.401 2.531 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(-n3ccnc3)nc2)c([N+](=O)[O-])c1 22227664 JBXPGJYEKKMNGG-UHFFFAOYSA-N 430.490 2.818 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3N=CC=C[C@@H]3[C@@H]2C1=O 104099107 ALIPBAZNQJSQLD-MDNKFWRPSA-N 430.420 2.500 5 40 IFBB COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220216431 FWGPYXASNUPRNV-ZDUSSCGKSA-N 437.474 2.714 5 40 IFBB Cc1[nH]c(CN(C)C(=O)CNC(=O)c2ccc(F)c(F)c2)nc1-c1cccc([N+](=O)[O-])c1 89547802 UBFVJIMLOHUOGL-UHFFFAOYSA-N 443.410 2.960 5 40 IFBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 102801007 MXJIHONUPNMTOX-NHYWBVRUSA-N 446.294 2.936 5 40 IFBB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9963749 WBSPOHBFCIZPOW-SNVBAGLBSA-N 426.834 2.836 5 40 IFBB Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2=O)cc1F 12527912 VBSFLGTUASMKHG-INIZCTEOSA-N 426.448 2.744 5 40 IFBB COc1ccc(NC(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 12541209 JAKZTYCFWFABBX-QGZVFWFLSA-N 430.413 2.957 5 40 IFBB Cc1cc(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 17096892 NFWZJCXVLUHLAC-UHFFFAOYSA-N 430.486 2.881 5 40 IFBB CCC(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 26721587 JAZFVNVEGGWFEY-UHFFFAOYSA-N 440.566 2.710 5 40 IFBB O=C(CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1)N1CCCCCC1 32806420 YDBYPOMKKDEKQA-UHFFFAOYSA-N 425.327 2.882 5 40 IFBB O=c1nc2s/c(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c(=O)n2nc1-c1ccccc1 33162087 YBOUPPSQCZCALH-PDGQHHTCSA-N 444.428 2.894 5 40 IFBB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC 95430422 FKKULSPAIYTOHP-UHFFFAOYSA-N 444.488 2.936 5 40 IFBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 170591597 HRSWXPBHQXZLBK-KEYYUXOJSA-N 441.387 2.569 5 40 IFBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCCc2ccccc21 9583659 IVJCPHJIKSDYFL-QGZVFWFLSA-N 445.859 2.715 5 40 IFBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1[N+](=O)[O-] 15563507 CCVADXIHJHZBEZ-UHFFFAOYSA-N 444.513 2.627 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCN1CCOCC1 20219679 FCNJJSVJLBAIEZ-HXUWFJFHSA-N 435.436 2.579 5 40 IFBB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 9587037 ZLDNVYJPVPUXTQ-UHFFFAOYSA-N 440.485 2.894 5 40 IFBB COc1ccc(Cl)cc1NC(=O)COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 139090674 NJSOZMGWMSOBLK-LBPRGKRZSA-N 447.831 2.792 5 40 IFBB Cc1ccccc1OC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220037089 FGRMLHZIPIHZJT-HNNXBMFYSA-N 435.502 2.561 5 40 IFBB Cc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 409059801 XMNQFSSPLXHNSW-UHFFFAOYSA-N 440.485 2.693 5 40 IFBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccnc1 101096750 ZWTIUVNBKZQPRX-MEFGMAGPSA-N 445.479 2.851 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 408546920 HJOWAILGYKYCDB-UHFFFAOYSA-N 427.866 2.970 5 40 IFBB CC(C)OCCCNC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 9763033 CEGFZGNVRFUVJU-SFHVURJKSA-N 435.864 2.765 5 40 IFBB C[C@@H](Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])C(=O)N(C)c1ccccc1 13012675 LHHLLEQTFJETQO-OAHLLOKOSA-N 433.486 2.810 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=CC=NN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c(C)c1 104107978 DLBRFBSADBVILO-BURNTYAHSA-N 444.447 2.809 5 40 IFBB CCOC(=O)/C=C(\Nc1cc(I)ccc1[N+](=O)[O-])C(=O)OCC 104118195 CLCDORVOPCMKQI-FLIBITNWSA-N 434.186 2.621 5 40 IFBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104665241 ULIHEFYJEIDYPW-FXUDXRNXSA-N 442.472 2.766 5 40 IFBB COc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 409202886 TUTBTMQANURXAS-YVLHZVERSA-N 427.438 2.956 5 40 IFBB CO[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CO1 5049005 DWYWYUISCFNJMR-KURKYZTESA-N 446.368 2.647 5 40 IFBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 10119981 VWBRTOMRKPKTPG-UHFFFAOYSA-N 426.414 2.787 5 40 IFBB CCOc1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2[N+](=O)[O-])n2nnnc2N3)cc1 10295826 QHBMPFYPXYEIRO-GOSISDBHSA-N 432.400 2.837 5 40 IFBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 12907511 YAXMOUREVDXMNF-UHFFFAOYSA-N 429.498 2.620 5 40 IFBB C[C@@H]1CCCN(c2ccc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cc2[N+](=O)[O-])C1 17114586 OOQJPLUCVASWIC-CQSZACIVSA-N 429.477 2.731 5 40 IFBB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20153135 JUDGLRKICCGMPY-UHFFFAOYSA-N 444.469 2.565 5 40 IFBB CC1(C)CN=C(N2CCN(c3ccc(S(=O)(=O)C(F)F)cc3[N+](=O)[O-])CC2)S1 79064095 HVYBYTNLSUQYAU-UHFFFAOYSA-N 434.490 2.595 5 40 IFBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 170591596 HRSWXPBHQXZLBK-CPUCHLNUSA-N 441.387 2.569 5 40 IFBB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1 408759759 LCOHMJQSTDGLCN-SXGWCWSVSA-N 449.466 2.900 5 40 IFBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCCO)Nc1ccccc1Br 9715242 BCZVQUUMCOXEMU-UHFFFAOYSA-N 438.234 2.557 5 40 IFBB CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 16682629 QLVUYWXSVLLTJQ-WBVHZDCISA-N 442.815 2.546 5 40 IFBB CCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176323 KDVYTKCFDFRUBU-QLYXXIJNSA-N 430.464 2.977 5 40 IFBB Cc1c(N(CC(=O)O)S(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 224736348 XPTYTXCNJXHUHW-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CC(=O)N(CCc2ccccc2)C1 16045208 YVETXMZJMCENHQ-INIZCTEOSA-N 426.425 2.596 5 40 IFBB CC(=O)CCc1ccc(OC[C@@H](O)Cn2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2=O)cc1 58101784 NZEOEWPXHNQZDV-NRFANRHFSA-N 439.468 2.817 5 40 IFBB COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C)C2=O)cc([N+](=O)[O-])c1O 409199209 BUBPEJOEQGFCSZ-GPILYODUSA-N 435.458 2.746 5 40 IFBB COc1ccc(F)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1 13580767 WEDJOWSZCCQIGY-CYBMUJFWSA-N 437.449 2.782 5 40 IFBB COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)cc1OC 33706100 YDPLXVXIMGWBKO-AWEZNQCLSA-N 449.485 2.651 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100550315 KWVFKVANTBSHSG-LATRNWQMSA-N 446.415 2.946 5 40 IFBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)cc1 408641851 DDLJAYCEVWOQMD-ZFWWWQNUSA-N 442.424 2.780 5 40 IFBB C[C@@H](OC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[C@H]1C 32945171 IYXQKNVLLSQGHI-JMSVASOKSA-N 425.869 2.605 5 40 IFBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1csc2nc(-c3cccs3)nn12 8768853 JUTSVEXWWDEPEN-UHFFFAOYSA-N 435.512 2.949 5 40 IFBB Cc1cc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1N1CCCC1=O 32895577 KFGWJANDCWJGLB-UHFFFAOYSA-N 447.469 2.992 5 40 IFBB CC[C@@H](C(=O)N1CCc2ccccc2C1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222546134 YBPLUNXNNIGKFY-SFHVURJKSA-N 447.513 2.733 5 40 IFBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccc3c(c2)OCO3)cc1 8741139 PGFSQBXYKFQZHM-CVEARBPZSA-N 447.494 2.599 5 40 IFBB O=C(C(Sc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(=O)N1CCCCC1)N1CCCCC1 19141900 GRMPMDLOJXCFNL-UHFFFAOYSA-N 431.518 2.957 5 40 IFBB CCOc1ccccc1CNC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222528479 UDUFZVYKFZLDKK-GOSISDBHSA-N 435.502 2.855 5 40 IFBB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 224100468 XTWKHNSJUPSUQG-QGZVFWFLSA-N 449.529 2.870 5 40 IFBB O=C(CCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 3431945 MUCXOSBITPJCAM-UHFFFAOYSA-N 442.497 2.542 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N(C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 12527808 WSRZSEANJVBQHB-HNNXBMFYSA-N 435.502 2.902 5 40 IFBB O=C(NCC(CNc1ccc(OC(F)(F)Cl)cc1)([N+](=O)[O-])[N+](=O)[O-])c1ccccc1 19320317 XUVOATYXXSKOJJ-UHFFFAOYSA-N 444.778 2.946 5 40 IFBB CCOC(=O)c1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222684949 LBJRRVHNLYTVMB-UHFFFAOYSA-N 449.485 2.956 5 40 IFBB CNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 409132786 KAMRWTHPMUDZBH-UHFFFAOYSA-N 427.866 2.507 5 40 IFBB CCc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 6197718 XSKNHRKFCKBOMP-UHFFFAOYSA-N 445.497 2.572 5 40 IFBB O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1cccc([N+](=O)[O-])c1 100550344 IDCQCRGROZFUCR-LRGYGIHKSA-N 446.415 2.946 5 40 IFBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCCOC(C)C)c3nc12 101033048 MHJUYESOCGQPHR-UHFFFAOYSA-N 449.511 2.775 5 40 IFBB CN(C[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9130944 SOSNJFZDVUELCG-HNNXBMFYSA-N 433.486 2.656 5 40 IFBB CCOC(=O)Cc1csc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)n1 10187822 BVZYRPBHJNTJRA-UHFFFAOYSA-N 442.453 2.619 5 40 IFBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc(F)c4cccnc34)CC2)c1 24678975 OFJJMNXQMXAUQC-UHFFFAOYSA-N 430.461 2.789 5 40 IFBB CCOc1ccccc1CNC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220394864 ISIKEVMWHQVQLE-OAHLLOKOSA-N 435.502 2.773 5 40 IFBB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O 222543627 QNGFGJPXKAIZDC-KRWDZBQOSA-N 435.502 2.807 5 40 IFBB COc1ccc(Br)cc1[C@@H]1CN(C)[C@]2(C(=O)Nc3ccccc32)[C@H]1[N+](=O)[O-] 408565382 KBPSZQIMFCZIPS-IXDGSTSKSA-N 432.274 2.980 5 40 IFBB CN(C)Cc1ccc(CSCCN/C(=C/[N+](=O)[O-])NCc2ccc3c(c2)OCO3)o1 4217144 HXRSXEDVVARPHP-NDENLUEZSA-N 434.518 2.758 5 40 IFBB in-man CC(C)c1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 10380864 UFVWJJMVXOUZTN-UHFFFAOYSA-N 435.488 2.721 5 40 IFBB CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1 12816221 DPCKXPCLUUVRRY-UHFFFAOYSA-N 433.895 2.656 5 40 IFBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)CC2)cc1C 89643255 OETZMLZQWFPGFH-UHFFFAOYSA-N 449.554 2.837 5 40 IFBB O=C(O)CN(c1ccc(Br)cc1F)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036120 QAGYMWAARSCOAI-UHFFFAOYSA-N 433.211 2.776 5 40 IFBB CCOC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c([N+](=O)[O-])cc2c1=O 9009539 IADFMVSUYAXBAL-UHFFFAOYSA-N 440.431 2.624 5 40 IFBB COCCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1866689 IBCJLCGHCBIGCU-OFNKIYASSA-N 448.479 2.798 5 40 IFBB biogenic CNC(=O)C1CCN(C(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 12100743 GWSWQGBHBQCRFZ-UHFFFAOYSA-N 447.495 2.975 5 40 IFBB O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H](CN2CCOCC2)c2ccccc2)ccc1Cl 12973647 KKVDYQWUZIJUFQ-KRWDZBQOSA-N 425.894 2.600 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)[C@H](C(C)=O)N1c3ccccc3C=C[C@H]21 16035092 LSBXBYVHMIJRLS-DBOLQNLKSA-N 433.420 2.582 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N[C@]1(O)C(F)(F)F 36096792 BYOFVPUEDDYENS-YWPYICTPSA-N 447.416 2.631 5 40 IFBB O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 79021411 LKWCYJYJMJWXTN-INIZCTEOSA-N 440.456 2.643 5 40 IFBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(I)c1O 409309961 OOAQCLTUKGNXMW-ARJAWSKDSA-N 445.169 2.675 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3OC)C2)c1 408642956 PZWHYZHUUJIOGX-LLVKDONJSA-N 430.373 2.512 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(N(C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 12527807 WSRZSEANJVBQHB-OAHLLOKOSA-N 435.502 2.902 5 40 IFBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3nccn3C)cc2)cc1[N+](=O)[O-] 12547395 CZYNQFGTACODBZ-UHFFFAOYSA-N 443.485 2.710 5 40 IFBB COc1ccc(Br)cc1C(=O)NC(=S)NNc1ccc([N+](=O)[O-])cc1 17094267 ROILSYNXGASCCT-UHFFFAOYSA-N 425.264 2.997 5 40 IFBB O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 33010798 FSMMVACEMOEDQT-UHFFFAOYSA-N 432.321 2.930 5 40 IFBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@H]12 59416436 CNJHWVPMGDJLNI-SJLPKXTDSA-N 426.816 2.880 5 40 IFBB COc1ccc(C(=O)COC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 3245270 UVYJDCZTYLUNEL-UHFFFAOYSA-N 428.426 2.923 5 40 IFBB CCN(CC)S(=O)(=O)c1ccc(NNC(=S)NC2CCCCC2)c([N+](=O)[O-])c1 9373182 OSQIBWJXXGTYNN-UHFFFAOYSA-N 429.568 2.749 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 38859785 SECWZFONPQWPHS-MRXNPFEDSA-N 425.850 2.722 5 40 IFBB Cc1cc(C)cc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 224104643 OEOAWNKREBEGJM-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB O=C(COc1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 8917343 RQAZXKFVJUWVBV-KRWDZBQOSA-N 438.889 2.843 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 11097463 BKWKVXNLTKKYOV-UHFFFAOYSA-N 425.850 2.521 5 40 IFBB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 21421066 GKSWRSRVRPXVPP-JTQLQIEISA-N 432.351 2.712 5 40 IFBB O=C(CCNc1ccccc1[N+](=O)[O-])Nc1cccc(Cn2nc3ccccn3c2=O)c1 40134204 GMMDKRHUYVRNLL-UHFFFAOYSA-N 432.440 2.893 5 40 IFBB CC[C@@H](C(=O)Nc1cccc(C(=O)OC)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222523121 DZHNVJJWWOQDLA-SFHVURJKSA-N 449.485 2.873 5 40 IFBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4N=CC=C[C@@H]4[C@@H]3C2=O)cc1 103538203 NATSYMZBJWSXHG-WCIQWLHISA-N 430.420 2.500 5 40 IFBB CC(C)c1ccc(C(=O)COC(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 8825688 ZYDFNESLLMRWJE-UHFFFAOYSA-N 434.470 2.960 5 40 IFBB O=C([C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2O1)N1CCOCC1 16964207 CJGVEBLLPOXDAG-SFHVURJKSA-N 431.832 2.515 5 40 IFBB Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 12993542 SSQORYWCPROPQX-FQEVSTJZSA-N 433.530 2.872 5 40 IFBB CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 17098199 JXPBYALVMPEPFZ-UHFFFAOYSA-N 432.864 2.934 5 40 IFBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCN1CCOCC1 20219659 HFYVNBPLSQNGPN-OAQYLSRUSA-N 449.463 2.969 5 40 IFBB CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)N(c3cccc(Cl)c3C)C(=O)[C@@H]12 103769241 CNJHWVPMGDJLNI-WMZOPIPTSA-N 426.816 2.880 5 40 IFBB COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 224817696 JDNCIYRGXJVJEJ-UHFFFAOYSA-N 430.822 2.545 5 40 IFBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)N[C@]2(CCCc3ccccc32)C1=O 3251198 UURCWUNJCOVCKQ-DMZKTXOQSA-N 438.440 2.714 5 40 IFBB COC(=O)N[C@@H](NC(=S)Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl 6136535 LSMXSLAWPLGQJK-SECBINFHSA-N 431.685 2.942 5 40 IFBB CCOc1ccc(NC(=O)C[C@H](NCCc2ccc(OC)cc2)C(=O)O)c([N+](=O)[O-])c1 10186424 FNIVSDMRPOKFII-SFHVURJKSA-N 431.445 2.616 5 40 IFBB C[C@H]1CN(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H](C)O1 14361344 NXVSQONMXNHOTG-TUAOUCFPSA-N 433.383 2.593 5 40 IFBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 15391642 YMUNJOOKIYWUEY-UHFFFAOYSA-N 430.896 2.991 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1 408651226 NJFVPBILOXLOFC-ZCLUNYJNSA-N 447.447 2.866 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)c1 408672834 XKAUTTSVWNWBLE-HNNXBMFYSA-N 441.440 2.755 5 40 IFBB CCOc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296698 HBMNESBZABKHHR-SFHVURJKSA-N 432.400 2.837 5 40 IFBB COc1cccc(NC(=O)Cc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)c1 9327541 PTKOLXKZAUWEOZ-UHFFFAOYSA-N 441.469 2.888 5 40 IFBB CCOc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1 408666161 GGVLEMAGFJNBMM-CQSZACIVSA-N 427.413 2.528 5 40 IFBB CCOC(=O)C1=C(N)O[C@H]2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16682558 XJJJMFWPPXFHSX-HRCADAONSA-N 433.417 2.724 5 40 IFBB Cc1cc(N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 225030757 NXXUDXWZDIVFII-UHFFFAOYSA-N 429.248 2.946 5 40 IFBB COc1ccc(OC)c(NC(=O)C2=C(C)Nc3nnnn3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 9667264 GHPXGANGDQIDSM-GOSISDBHSA-N 437.416 2.526 5 40 IFBB CCCCCC(=O)NC(=S)N1CCN(c2ccc(C(=O)OCC)cc2[N+](=O)[O-])CC1 408571728 DNZGJCWQUQTZSS-UHFFFAOYSA-N 436.534 2.875 5 40 IFBB COC(=O)c1cc(Cl)c(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1OC 48340941 OPGQBEQFWAFJIN-UHFFFAOYSA-N 449.851 2.793 5 40 IFBB COC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 100923117 OJKCKBQITRNELR-UHFFFAOYSA-N 431.361 2.524 5 40 IFBB O=C(CSC(=S)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)Nc1cccc([N+](=O)[O-])c1 113480658 NOTCVXPHGRRRSW-ZIAGYGMSSA-N 444.538 2.832 5 40 IFBB CCOc1cc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)ccc1O 10296674 XJYWBQPYOSCXOK-SFHVURJKSA-N 448.399 2.543 5 40 IFBB COc1ccc(S(=O)(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 12937391 LRZPOZWVMGGAGQ-UHFFFAOYSA-N 426.760 2.976 5 40 IFBB C[C@]1(c2ccccc2)NC(=O)N(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1=O 24497500 NTKOGOVPQAYWSS-RUZDIDTESA-N 440.459 2.653 5 40 IFBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1[N+](=O)[O-] 408653934 QDPOCLUHDLNFFA-CQSZACIVSA-N 427.369 2.590 5 40 IFBB Cn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc([N+](=O)[O-])ccc21 11726405 HAJRGWBMPKFPEQ-FMQUCBEESA-N 446.510 2.674 5 40 IFBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 12587362 IESKKYQNFWFEFS-UHFFFAOYSA-N 442.497 2.542 5 40 IFBB CC(C)OCCCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 14411619 SNCTZAKXMDCBET-UHFFFAOYSA-N 435.502 2.721 5 40 IFBB Cn1c(CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)nc2cc(Cl)ccc21 78806298 ZWWCEZXFDYIQGD-UHFFFAOYSA-N 425.832 2.949 5 40 IFBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2C(=O)C(=O)N([C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)C2=O)c1C 104665234 ULIHEFYJEIDYPW-UGUYLWEFSA-N 442.472 2.766 5 40 IFBB CC(C)CSc1nnc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 223856871 NVADVXDEPHVDDP-UHFFFAOYSA-N 445.548 2.599 5 40 IFBB COCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409203861 ZGJYXTCBEPEWAJ-YBEGLDIGSA-N 431.426 2.654 5 40 IFBB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 9244573 PJKFJCUJQVHPNW-UHFFFAOYSA-N 446.533 2.712 5 40 IFBB CCc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 9282070 LBWRZNQMGKONMU-UHFFFAOYSA-N 444.451 2.813 5 40 IFBB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCOCC2)cc1[N+](=O)[O-] 16693024 GAAXVEMEDJUAHJ-UHFFFAOYSA-N 429.429 2.869 5 40 IFBB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410936 UBQOCLMSDDQVTQ-UHFFFAOYSA-N 446.485 2.575 5 40 IFBB COc1ccccc1CN(C)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57473928 NJYWYZUASMAZIA-UHFFFAOYSA-N 449.511 2.932 5 40 IFBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 214669349 KYPGMMISHINOBQ-OQLLNIDSSA-N 429.410 2.984 5 40 IFBB CC[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535272 ZBIUPEJQCYRQEX-OAHLLOKOSA-N 435.458 2.815 5 40 IFBB CS(=O)(=O)N(CCCC(=O)NCCSC1CCCC1)c1cccc([N+](=O)[O-])c1 224524796 WCEWYDMTJVASSK-UHFFFAOYSA-N 429.564 2.933 5 40 IFBB O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)Nc1cccc([N+](=O)[O-])c1 3242868 APCZSCHDGMGOTM-SFHVURJKSA-N 437.408 2.711 5 40 IFBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9562917 GEPRPDIAQSFICQ-UHFFFAOYSA-N 437.905 2.761 5 40 IFBB CC(C)C[C@@H](C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 10860758 LGZJDVQDJQUWGM-SFHVURJKSA-N 439.424 2.787 5 40 IFBB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17100808 VJNWJIDRACRWIP-UHFFFAOYSA-N 436.877 2.917 5 40 IFBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3CCCN3[C@H](C(=O)c3ccc(F)cc3)[C@@H]2C1=O 36322414 WIQMGZPVMIKVIS-HAGHYFMRSA-N 437.427 2.877 5 40 IFBB COc1c([N+](=O)[O-])cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1[N+](=O)[O-] 103934063 MGAUXUDXRNUQGN-UHFFFAOYSA-N 447.360 2.509 5 40 IFBB COc1ccc2c(ccn2CCC(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c1 1547138154 LFGHRVJRLSWQGB-RDJZCZTQSA-N 436.468 2.756 5 40 IFBB COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 9662791 FNERROCWGRYGHZ-UHFFFAOYSA-N 437.408 2.668 5 40 IFBB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 48289026 IAMWRGHRXGHEBL-UHFFFAOYSA-N 449.533 2.669 5 40 IFBB CCn1cnnc1[C@H]1CCCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 95394800 CKFAPQTVPKKVFS-NSHDSACASA-N 433.412 2.884 5 40 IFBB O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1cccc([N+](=O)[O-])c1 100550324 HMXCSNDPAQCORK-PBFVBANWSA-N 446.415 2.946 5 40 IFBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCc1cccc(C)c1)S(C)(=O)=O 222371191 QRNAERWFXXMARE-UHFFFAOYSA-N 435.502 2.774 5 40 IFBB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 503519068 YISKYXYEFPKYRO-BFUOFWGJSA-N 429.452 2.534 5 40 IFBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(F)cc1 108259106 URAHWCMNUXAHQK-KRXBUXKQSA-N 427.344 2.509 5 40 IFBB Cc1cccc(OCCNC(=O)CCCN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 224861227 YGNLUUXABOZROO-UHFFFAOYSA-N 449.529 2.953 5 40 IFBB CCOC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 220034399 UHWUKYLIBQQXIS-UHFFFAOYSA-N 449.485 2.793 5 40 IFBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N[C@@]1(O)C(F)(F)F 1805998 WXAQPJPABGAKLU-ZOWXZIJZSA-N 431.417 2.925 5 40 IFBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 9720439 FFKCDBSLZNMFKN-UHFFFAOYSA-N 426.838 2.667 5 40 IFBB O=C(CN1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21)Nc1ccc(F)cc1[N+](=O)[O-] 15546034 YVUGOBSHUKRPHW-FQEVSTJZSA-N 442.447 2.953 5 40 IFBB Cn1cc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 65060478 VUWRHCROLWJPSR-UHFFFAOYSA-N 425.489 2.860 5 40 IFBB COc1ccc(CCn2c(=N)c(C(=O)NC(C)C)cc3c(=O)n4ccccc4nc32)cc1 101155338 CUSUGRBPCFSWQG-UHFFFAOYSA-N 431.496 2.518 5 40 IFBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccccc2OC)c1 408660616 BFPTYVFCQBRHKO-UHFFFAOYSA-N 431.401 2.513 5 40 IFBB O=c1c2cc3c(=O)n(CCN4CCOCC4)ccc3nc2ccn1CCC1=CCCCC1 36353819 FYHWYFOITOMLEV-UHFFFAOYSA-N 434.540 2.934 5 40 IFBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N[C@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c2)C1 109050652 AZWLSAMKUVDWFF-RBSFLKMASA-N 440.566 2.977 5 40 IFBB COc1ccc(C(=O)N2CCN([C@H](CCC(=O)O)c3ccccc3)CC2)cc1[N+](=O)[O-] 408611530 SWGNNPUAMMCAOZ-GOSISDBHSA-N 427.457 2.967 5 40 IFBB CCc1ccccc1N1C[C@@H](C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1=O 11080949 OGGBLCZFZHQLOU-KRWDZBQOSA-N 441.484 2.886 5 40 IFBB CCOc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2Sc2nnnn2C)cc1 13128273 WWZMUPWFNNQMAV-UHFFFAOYSA-N 445.457 2.904 5 40 IFBB CN(C)S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1 9694885 KDYWZXZBUPBOSP-UHFFFAOYSA-N 430.845 2.639 5 40 IFBB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225067011 DUTYBGFGXYHUKI-QGZVFWFLSA-N 443.500 2.968 5 40 IFBB CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1 22391095 CKDAHVOKBXJXDS-UHFFFAOYSA-N 437.474 2.797 5 40 IFBB C[C@@H]1CN(c2ccccc2NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[C@@H](C)O1 57992045 NAGNYDAXKUMLMU-IAGOWNOFSA-N 440.504 2.958 5 40 IFBB CS(=O)(=O)N1CC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)Oc2ccccc21 30945864 ATHKUILVTAYZPM-MRXNPFEDSA-N 425.850 2.804 5 40 IFBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsc1NC(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102332018 RKENISGMPWTCEK-XQLPTFJDSA-N 431.426 2.725 5 40 IFBB CCSc1nnc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)s1 225836186 RAPSNHATLXHAFT-GFCCVEGCSA-N 445.548 2.742 5 40 IFBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1 408653941 QEALQNNXTZDKQW-KDURUIRLSA-N 433.420 2.786 5 40 IFBB COC(=O)c1sc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c(C(=O)OC)c1C 9673316 GIDGOKQSPQSARI-UHFFFAOYSA-N 438.462 2.770 5 40 IFBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 408966321 ZRAUETJJELUKGG-SXGWCWSVSA-N 429.410 2.984 5 40 IFBB COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N2CCCCC2)cc1 57366491 JYYZVRJLRHEDPN-LJQANCHMSA-N 434.518 2.890 5 40 IFBB