smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc(Cl)cn1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4842020 NKUVAWPULBTHTE-UHFFFAOYSA-N 362.773 2.732 5 50 FFBA COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c1OCO2 55031458 FMOLHHICKNMUMF-UHFFFAOYSA-N 371.393 2.654 5 50 FFBA Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2c1nc2sccn2c1[N+](=O)[O-] 252538740 NGHMOBDMTIPOOL-NEPJUHHUSA-N 356.411 2.862 5 50 FFBA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4581084 LJWSEVGWIRJZAO-INIZCTEOSA-N 358.350 2.939 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)N1CCCCCC1 1070716 KYOCEIQLAGTRRD-JTQLQIEISA-N 359.224 2.826 5 50 FFBA CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 2813942 BUULPQBWZJYAOT-QINSGFPZSA-N 357.366 2.875 5 50 FFBA COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4289708 PDAZAZPXOPYYIG-UHFFFAOYSA-N 370.770 2.836 5 50 FFBA Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1C(=O)CCC1=O 5063684 AFXVLFUOLYJPSB-UHFFFAOYSA-N 354.318 2.776 5 50 FFBA Cc1ccc2c(c1)nc1c3ccc4c(=O)[nH]c(=O)c5ccc(c(=O)n21)c3c54 629084 UTKNJTHGYOGYSD-UHFFFAOYSA-N 353.337 2.540 5 50 FFBA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 19789796 VCRWXPQSGNPDIF-CQSZACIVSA-N 372.358 2.717 5 50 FFBA O=C(Nc1cccnc1)c1cc(C(=O)Nc2cccnc2)cc([N+](=O)[O-])c1 851637 CIEQIXCKHCPMGN-UHFFFAOYSA-N 363.333 2.889 5 50 FFBA O=C(Nc1ccccc1[N+](=O)[O-])c1nc[nH]c1C(=O)NC1CCCCC1 4978912 VKIUOIWJLKGZOI-UHFFFAOYSA-N 357.370 2.633 5 50 FFBA CCOC(=O)CSc1ncc(OC)c(Oc2cccc([N+](=O)[O-])c2)n1 1388543 YMQVOQRNZOIUCX-UHFFFAOYSA-N 365.367 2.841 5 50 FFBA CC(C)CNC(=O)c1cccc(NC(=O)COc2cccc([N+](=O)[O-])c2)c1 1148190 HWDUFEFJQPMAKT-UHFFFAOYSA-N 371.393 2.998 5 50 FFBA COc1ccccc1C(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19789908 AXRVKIGBKOINMK-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1Cl 943324 XHTATTGDDFHZID-UHFFFAOYSA-N 373.752 2.873 5 50 FFBA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc([N+](=O)[O-])cc1 1226953 PHTAMBMUQWHXLX-HNNXBMFYSA-N 356.334 2.558 5 50 FFBA COc1cc(CN2CCN(c3ccccc3F)CC2)cc([N+](=O)[O-])c1O 3879783 HZYCYCBMQOXHEC-UHFFFAOYSA-N 361.373 2.770 5 50 FFBA O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCCCC2)C1 2786817 JSVAKABNKQIUQO-OAHLLOKOSA-N 359.426 2.850 5 50 FFBA O=c1cccc2n1C[C@H]1C[C@H]2CN(C/C=C/c2ccccc2[N+](=O)[O-])C1 100504218 ICAFRERHFPMZMS-DVJJNNKXSA-N 351.406 2.889 5 50 FFBA CC(C)Nc1ncccc1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 118757526 NASVOWXMHQYJKA-UHFFFAOYSA-N 369.425 2.773 5 50 FFBA O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)c1 6402383 QLAXRNWNSSSZDN-UHFFFAOYSA-N 358.423 2.819 5 50 FFBA COc1ccc(OC)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 674779 DLCGAWXCZJIQLH-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA Cc1ccc(C)c(NC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1151299 DLUDDBQXJIEHFI-LBPRGKRZSA-N 367.361 2.835 5 50 FFBA CCN(CC)C(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 5092917 USBFKELRAAYCKF-NTCAYCPXSA-N 357.366 2.827 5 50 FFBA Cc1cc(CNC(=O)CCCn2cc([N+](=O)[O-])cn2)c2ccccc2n1 1423682 LIYCXVSEIDQQGY-UHFFFAOYSA-N 353.382 2.745 5 50 FFBA CON(C)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 40566565 YLEOFNJZGIPYFE-SNVBAGLBSA-N 361.320 2.850 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)N2CCCCCC2)CC1 1134465 HVUMUAKEOOJCRB-UHFFFAOYSA-N 359.426 2.850 5 50 FFBA COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2810078 BZHROXQBDIMTLE-UHFFFAOYSA-N 360.278 2.551 5 50 FFBA COc1cc2nc(COc3cccc([N+](=O)[O-])c3)oc(=O)c2cc1OC 2313354 OENZHUMHSKFYSU-UHFFFAOYSA-N 358.306 2.692 5 50 FFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 1427619 HMHMPPHSHXVNIE-AWEZNQCLSA-N 350.330 2.888 5 50 FFBA Cc1sc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C 2872826 RTTQPRFCXLPWPB-SECBINFHSA-N 363.395 2.778 5 50 FFBA COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4580581 LUFNQFRCYVVWIL-OAHLLOKOSA-N 358.350 2.858 5 50 FFBA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 101113094 MPOGNXFBWLAWGZ-JJMVLAAESA-N 359.382 2.955 5 50 FFBA CCOC(=O)c1cccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1 4754686 ZMIWHKGNDWERHR-UHFFFAOYSA-N 372.333 2.810 5 50 FFBA COC[C@@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 119719185 BCXLPFFRZFVFCH-CYBMUJFWSA-N 352.293 2.696 5 50 FFBA COC(=O)c1cc(C)sc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2101569 AKWFHEPOGWPUPH-UHFFFAOYSA-N 365.323 2.912 5 50 FFBA Cn1c(-c2ccc(F)cc2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157573 NHBUCKKXJSRMRD-UHFFFAOYSA-N 354.341 2.903 5 50 FFBA O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc([N+](=O)[O-])cc1 5650268 CLGVCJFAHFIZIR-INIZCTEOSA-N 353.334 2.502 5 50 FFBA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1[N+](=O)[O-] 1176425 MTBZEEOTEBZMEL-UHFFFAOYSA-N 369.377 2.628 5 50 FFBA Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 2841797 PRKWDWSJDUJHRL-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA CCCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 5898462 NWTVHROBKJFZCD-UHFFFAOYSA-N 364.379 2.962 5 50 FFBA c1nc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn2n1)CCCC5 20082118 HPFDGNLLWLLICC-UHFFFAOYSA-N 366.450 2.603 5 50 FFBA COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1OC 1178834 LRQSBCVLDRWODQ-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c2ccccc21 100502048 QETQBQXFHOFEMZ-UHFFFAOYSA-N 369.333 2.593 5 50 FFBA Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2ccccc2c1=O 4845409 WMTMMSCBMCVVGH-UHFFFAOYSA-N 370.390 2.573 5 50 FFBA CCCc1[nH]nc(-c2nc(-c3ccc(C(=O)OC)cc3)no2)c1[N+](=O)[O-] 170609054 NNLBTNISDCMZGD-UHFFFAOYSA-N 357.326 2.774 5 50 FFBA O=C(c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 6700746 HHRGTOVQWCPGMW-UHFFFAOYSA-N 360.391 2.664 5 50 FFBA Cc1nn(Cc2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] 2807954 AQTWEJHCQODRCZ-UHFFFAOYSA-N 357.399 2.726 5 50 FFBA Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc([N+](=O)[O-])o3)nn12 227143766 AKLORIOSXWXUNG-UHFFFAOYSA-N 367.350 2.977 5 50 FFBA COc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(OC)cc1Cl 826505 DSUYDAHZKUHHQN-UHFFFAOYSA-N 368.777 2.717 5 50 FFBA COC(=O)c1sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c2c1C 955583 UKZXFKFHGRHDDC-UHFFFAOYSA-N 359.363 2.510 5 50 FFBA O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc(F)c([N+](=O)[O-])cc1F 123670181 ZDOSBBAKFWMOKU-JTQLQIEISA-N 356.325 2.679 5 50 FFBA Cc1nc([N+](=O)[O-])c(C(=O)OCc2cccc(Br)c2)n1C 1424496 GJGUGVUMWHKTJE-UHFFFAOYSA-N 354.160 2.756 5 50 FFBA CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1[N+](=O)[O-])C(=O)O 4241053 ZXZASBNTHVRNBK-KRWDZBQOSA-N 350.371 2.992 5 50 FFBA in-vitro COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12 2884598 VCAAYNOPVDLDSF-UHFFFAOYSA-N 366.329 2.913 5 50 FFBA CCOc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 831826 CEJGKPQDPDABAC-UHFFFAOYSA-N 355.394 2.956 5 50 FFBA CCCN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1051964 VGFOBZZATXMFBE-LJQANCHMSA-N 354.362 2.812 5 50 FFBA C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 433536620 ALSXFBROZUFGOS-KUHUBIRLSA-N 369.421 2.882 5 50 FFBA O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1Br)[C@H]1C=C[C@H]2C1 100184268 HTJWAVURXJMVGD-XMUKKISLSA-N 363.167 2.669 5 50 FFBA CC(=O)Nc1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 1429852 JVVLZBOBYIPXLW-UHFFFAOYSA-N 359.386 2.785 5 50 FFBA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 5013645 XCJZWQGDTOQNQW-GOSISDBHSA-N 358.325 2.561 5 50 FFBA COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)NCC2 22204771 DDEZIWSQYMTURV-SFHVURJKSA-N 358.350 2.576 5 50 FFBA CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1I 63110824 ZKUXGUWRSZESPV-UHFFFAOYSA-N 360.107 2.857 5 50 FFBA C[C@H]1[C@H](C)CCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 248366693 SLLJWKFGKWYTJX-BDAKNGLRSA-N 363.233 2.776 5 50 FFBA Cc1sc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c(C(=O)OC(C)C)c1C 2749746 MHRLUNHFYVUSEJ-UHFFFAOYSA-N 366.399 2.824 5 50 FFBA COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC 1164178 ORILCTKHXVNKFD-MDWZMJQESA-N 369.333 2.709 5 50 FFBA O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1O 18100226 DZTFGCJGJWKJHR-IUCAKERBSA-N 357.149 2.976 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCn1cnc2ccccc2c1=O 1071747 KCYVTDKPXCTYBO-UHFFFAOYSA-N 352.350 2.642 5 50 FFBA N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)S1 23128327 QBMPYODSXJTLAD-SDQBBNPISA-N 360.307 2.902 5 50 FFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nc[nH]c3c2)c(Cl)c1 328595699 BDHZSQXRSIPPQL-UHFFFAOYSA-N 352.759 2.925 5 50 FFBA COc1ccc(OC)c(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 865109 PWYNSFSNBBUWGV-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCn1ccc(=O)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 135287195 NUDRNGVPKSHYED-UHFFFAOYSA-N 373.412 2.975 5 50 FFBA O=C(C[C@@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 5049724 HPOVKSAVNSBYHX-AWEZNQCLSA-N 352.755 2.722 5 50 FFBA Cc1ccc(SCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2985727 ZJKRXGWDDPTCDP-UHFFFAOYSA-N 352.437 2.974 5 50 FFBA CC(C)c1[nH]nc(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] 269500622 YZNNMEUJDBGTSA-OAHLLOKOSA-N 371.441 2.836 5 50 FFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2c(c1)OCO2 1230509 OUYDNPSROZCRIG-UHFFFAOYSA-N 372.362 2.931 5 50 FFBA CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4006632 PRLQWEKGEUKOAE-ANCGMVAHSA-N 371.437 2.656 5 50 FFBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 4608548 UKSKVVMXUUWZLM-UHFFFAOYSA-N 355.803 2.639 5 50 FFBA O=[N+]([O-])c1cnc2ccc(N[C@H]3CCN(c4ccc(F)cc4F)C3)nn12 302013870 XIKLIAVYUXNJIJ-NSHDSACASA-N 360.324 2.607 5 50 FFBA COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1[N+](=O)[O-] 4263014 HWCWNRJKSBHSJB-UHFFFAOYSA-N 350.352 2.607 5 50 FFBA O=C(O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 912893 RKRJJKDKHIMTHI-UHFFFAOYSA-N 354.274 2.652 5 50 FFBA CCOc1ccc(C(=O)NC(=S)Nc2ncccc2C)cc1[N+](=O)[O-] 1173619 SMQOWIWVCZOOCH-UHFFFAOYSA-N 360.395 2.824 5 50 FFBA O=c1[nH]c(/C=C/c2cccc(Oc3ccccc3)c2)c([N+](=O)[O-])c(=O)[nH]1 9234693 RTCGNVREZYDKKV-MDZDMXLPSA-N 351.318 2.934 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 1134864 OZEBWQLZJRXYRN-UHFFFAOYSA-N 353.334 2.528 5 50 FFBA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 3833490 ZWGZOYKZNCNSHA-UHFFFAOYSA-N 364.379 2.881 5 50 FFBA Nn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398697 RPYHANRPCDJCSR-UHFFFAOYSA-N 373.199 2.721 5 50 FFBA O=C(CN1CCCCC1)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4819321 CDWTZCFBIWLOJP-UHFFFAOYSA-N 374.363 2.628 5 50 FFBA COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(N(C)c3ccccc3)CC2)n1 225541694 UFKPBFPEMXSFER-UHFFFAOYSA-N 370.409 2.882 5 50 FFBA CCCCO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@@H]1[N+](C)(C)C 100858673 XSABTWAXKCYQPZ-JMPUJIDWSA-N 364.506 2.884 5 50 FFBA Cc1nn(C(C)(C)C)c(=O)n1Cc1ccc(Br)c([N+](=O)[O-])c1 193094349 BDBUBBMWYFODSZ-UHFFFAOYSA-N 369.219 2.827 5 50 FFBA CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 5028137 UKCLBBXGBLYMRR-ZDUSSCGKSA-N 369.377 2.985 5 50 FFBA O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(Br)cc1 1188770 CSIFBJSKOCUZTO-UHFFFAOYSA-N 354.112 2.990 5 50 FFBA O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCCN(CC(F)(F)F)C3)cc2N1 253426856 BGIVMSSWMCVAHP-NSHDSACASA-N 372.347 2.918 5 50 FFBA Cn1c(=O)c2cn3c4ccccc4nc(Cc4ccccc4)c3c2n(C)c1=O 804794 PDMVYOPBHGRFDU-UHFFFAOYSA-N 370.412 2.629 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 1133199 JWDWKQRLBZBAOB-LLVKDONJSA-N 353.334 2.526 5 50 FFBA CCCCOC[C@@H](O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 19286095 FDXAGIZWXPMQSZ-HNNXBMFYSA-N 371.865 2.548 5 50 FFBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 828330 ARGZMVPWRZEREV-CYBMUJFWSA-N 358.325 2.830 5 50 FFBA CN(C)C(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3130612 KLSOBTYDYWNKQL-SECBINFHSA-N 355.609 2.974 5 50 FFBA O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1O 100082596 DZTFGCJGJWKJHR-BDAKNGLRSA-N 357.149 2.976 5 50 FFBA Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc1C(=O)N(C)C 1112863 YZGCPFMWCIGAMN-UHFFFAOYSA-N 368.802 2.967 5 50 FFBA aggregator Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1c(Cl)c(C)nn1C 1005769 QYBAUPOSVYDHDN-UHFFFAOYSA-N 367.818 2.725 5 50 FFBA COC(=O)c1cc(C)nc(NCCCCNc2ccccn2)c1[N+](=O)[O-] 225819176 LDNUDCVSGGNZLZ-UHFFFAOYSA-N 359.386 2.784 5 50 FFBA O=C(NOCc1ccccc1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2794312 KWZWYZKFDHIJKO-UHFFFAOYSA-N 352.350 2.701 5 50 FFBA COc1cc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc(OC)c1OC 1398077 DGFHMBHIUVSPAE-UHFFFAOYSA-N 360.366 2.784 5 50 FFBA Cc1ccc(S(=O)(=O)NCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] 5060289 HBLRDOMSDDOWNA-UHFFFAOYSA-N 370.814 2.914 5 50 FFBA Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4ncc3c2n(C)c1=O 804801 YVZVATKCIBNZNI-UHFFFAOYSA-N 356.385 2.705 5 50 FFBA COc1ccccc1N1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 1134459 PESXHAHKTNZJRN-UHFFFAOYSA-N 355.394 2.874 5 50 FFBA CC(=O)c1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)OCO2 16321905 RSKYQCKAKWEWIP-UHFFFAOYSA-N 373.277 2.687 5 50 FFBA Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc2n1 1005631 DCHBMCJJCYCMTG-UHFFFAOYSA-N 366.259 2.670 5 50 FFBA CCCCO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@@H]1[N+](C)(C)C 230082795 XSABTWAXKCYQPZ-OKAKVDCISA-N 364.506 2.884 5 50 FFBA Nc1nccc([C@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 253410469 AQOQUDLSXFPKCS-JTQLQIEISA-N 361.789 2.640 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnnn1-c1ccccc1 1109129 IQQZHUCKGRNHRY-UHFFFAOYSA-N 370.394 2.610 5 50 FFBA CCCN1CCC(NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)CC1 5041906 UOYGKMLMBWYURW-UHFFFAOYSA-N 352.460 2.764 5 50 FFBA CCCN(CCC)S(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 4015977 MZPGTXFMMKKWGD-UHFFFAOYSA-N 369.443 2.532 5 50 FFBA CCC1(C)CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)C1 241515521 OFYYRYQDDJJITA-UHFFFAOYSA-N 353.444 2.616 5 50 FFBA O=[N+]([O-])c1cc(I)cc(I)c1 4830002 JIVYEUNBDFYQRD-UHFFFAOYSA-N 374.903 2.804 5 50 FFBA CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 239174411 PZFWIEROOQOKSF-SQNIBIBYSA-N 351.410 2.909 5 50 FFBA CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 1053759 FWPXMQAOGQMDFJ-UHFFFAOYSA-N 353.378 2.760 5 50 FFBA COc1ccc(CN(C2CC2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 8058112 MHNCJCADQXPIGX-UHFFFAOYSA-N 362.407 2.957 5 50 FFBA Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)c2ccccc21 4263726 MNBZXSWGCAYMGI-UHFFFAOYSA-N 356.426 2.511 5 50 FFBA O=C(CCC1CCCC1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 779551 HYUAXEKSVNIREO-UHFFFAOYSA-N 359.426 2.850 5 50 FFBA CC(C)OC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1117002 MQYJZTXJAZGQEP-UHFFFAOYSA-N 354.318 2.961 5 50 FFBA CCCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1133912 ZVSMYRMNAXHGFA-LJQANCHMSA-N 354.362 2.812 5 50 FFBA CS(=O)(=O)c1ccc(C(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 2165059 AWGFYVWASRXQDH-UHFFFAOYSA-N 351.405 2.973 5 50 FFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccccc1C(=O)O 2833706 WZJICDDFBDLKPE-CMDGGOBGSA-N 371.374 2.819 5 50 FFBA C[C@H](CCc1ccccc1)Nc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] 4807395 UEVHHEURSMYBKQ-CQSZACIVSA-N 353.382 2.847 5 50 FFBA COc1cc(CNCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 19721006 QSFYVLINSJJVSC-UHFFFAOYSA-N 360.366 2.673 5 50 FFBA Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@]2(O)c1c(C)[nH]c2ccccc12 5059935 XVOZWWNOGCQLKX-LJQANCHMSA-N 351.362 2.905 5 50 FFBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 4263332 WJAXWNATDNUXOF-KRWDZBQOSA-N 367.361 2.966 5 50 FFBA Nc1nccc([C@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n1 170616222 GMVVDXBMOXVDST-LBPRGKRZSA-N 350.382 2.899 5 50 FFBA O=[N+]([O-])c1c(NCc2ccccc2)cc(N2CCOCC2)c2nonc12 4131824 OLBDPJOSJXFAME-UHFFFAOYSA-N 355.354 2.580 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1I 4998875 DXBZIXAIOURTBB-UHFFFAOYSA-N 369.118 2.847 5 50 FFBA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1183983 ZQNFVGKGUPZBEW-UHFFFAOYSA-N 358.379 2.680 5 50 FFBA COc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)NC2=S)cc1 2898852 DXISIYMKYAGJJK-JYRVWZFOSA-N 371.374 2.571 5 50 FFBA NC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 170615009 PPKAIUHEUHNUNZ-GOSISDBHSA-N 371.418 2.726 5 50 FFBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 4740953 MJYJNEUQTPMTJT-UHFFFAOYSA-N 355.394 2.874 5 50 FFBA O=c1cc(-c2ccccc2)[nH]c2nc(NCc3cccc([N+](=O)[O-])c3)nn12 100282701 UIICZMJBNOGXJN-UHFFFAOYSA-N 362.349 2.605 5 50 FFBA C[C@@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 239782572 CPHLIVBUPMAJGM-CHWSQXEVSA-N 356.382 2.856 5 50 FFBA O=C(COc1ccc([N+](=O)[O-])cc1)OCCOc1ccc([N+](=O)[O-])cc1 2026386 HIPMJAWZQJMSEJ-UHFFFAOYSA-N 362.294 2.504 5 50 FFBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(O)cc1C(=O)O 2877762 MUYRHMYPUBDWBE-UHFFFAOYSA-N 362.363 2.871 5 50 FFBA CN(C)C(=O)N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3896817 VMRBNSWQWIQWFL-SECBINFHSA-N 355.609 2.974 5 50 FFBA CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 4865426 BIFBLDNMPJYXFG-UHFFFAOYSA-N 356.334 2.983 5 50 FFBA O=C(/N=S(\c1ccc([N+](=O)[O-])cc1)N1CCOCC1)c1ccccc1 4566432 DSIPGUFAZKKWDE-UHFFFAOYSA-N 359.407 2.843 5 50 FFBA CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc([N+](=O)[O-])s1 9722611 ISLJZDYAPAUORR-UHFFFAOYSA-N 369.380 2.856 5 50 FFBA Cc1ccc(OCC(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 1172624 QGEOFPRJKSLSJK-UHFFFAOYSA-N 363.370 2.934 5 50 FFBA C[C@@]12CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F 488439209 ZETHJEMWZDJGNI-DLBZAZTESA-N 367.396 2.909 5 50 FFBA O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1Cc1ccccc1F 13546728 XLEBKQWWZYVUIE-RIYZIHGNSA-N 357.297 2.532 5 50 FFBA COc1cc(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 19721049 GDPMYPWHWDESKX-UHFFFAOYSA-N 362.382 2.919 5 50 FFBA CCCCOc1ccc(CSc2nnc(CC)n2N)cc1[N+](=O)[O-] 2846841 USYMHESETJLTPE-UHFFFAOYSA-N 351.432 2.934 5 50 FFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 2851101 CXGYNINCJRXPQM-UHFFFAOYSA-N 373.321 2.812 5 50 FFBA C[C@@H](Nc1ccc(C(=O)NCCCCN)cc1[N+](=O)[O-])c1ccccn1 262243787 PGYPBXSTQGBWPY-CYBMUJFWSA-N 357.414 2.632 5 50 FFBA CNc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccc1[N+](=O)[O-] 4311943 VBUMZXDOJRETGM-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA O=[N+]([O-])c1cnc2ccc(N[C@@H]3CCN(c4ccc(F)cc4F)C3)nn12 302013869 XIKLIAVYUXNJIJ-LLVKDONJSA-N 360.324 2.607 5 50 FFBA Cc1cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)no1 2866235 WRBNRGGGQOYZRB-UHFFFAOYSA-N 361.339 2.672 5 50 FFBA COc1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 19565306 FCEYNKZMRVVIST-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c([N+](=O)[O-])c1 100184659 ACQONOVWRBWMHI-IYVPYFHTSA-N 354.362 2.861 5 50 FFBA Cc1cc(C)n(C(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)n1 1070882 SPOUKAGICWHNJR-VIFPVBQESA-N 356.180 2.577 5 50 FFBA COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 2503850 ZCSAVJRPGZHZHC-KXBFYZLASA-N 356.378 2.871 5 50 FFBA CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1171249 IFEPGESVTUPHMJ-UHFFFAOYSA-N 356.334 2.901 5 50 FFBA COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 4263273 BKDQBVAUBLOYDY-UHFFFAOYSA-N 364.379 2.799 5 50 FFBA O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 4571273 AQFSCHZBYWUHCK-ZACQAIPSSA-N 362.407 2.626 5 50 FFBA biogenic,in-vitro Cc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 3903016 VJQCJIJCVYKEEQ-LLVKDONJSA-N 353.334 2.526 5 50 FFBA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1173522 QNYYHBDKOOZBOO-UHFFFAOYSA-N 372.406 2.988 5 50 FFBA COc1ccc(N[C@@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 101128798 DEDBECRSZKGNQV-OAHLLOKOSA-N 355.350 2.656 5 50 FFBA Cn1cc(C(=O)NCCCC2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 452208238 OQDRFOBYEAHXLB-UHFFFAOYSA-N 372.425 2.932 5 50 FFBA CCOC(=O)Cc1csc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 1140634 AKFNMVRSIPUPFJ-JTQLQIEISA-N 363.395 2.899 5 50 FFBA COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2831270 GQMMCGGEGLZMNF-DVQDXYAYSA-N 354.362 2.509 5 50 FFBA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 4695146 WDMVEPJOKGCNPA-PKTIUJEHSA-N 370.770 2.846 5 50 FFBA COC(=O)c1ccc(N[C@@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1 225384530 BSLJFLGXHIDATC-GFCCVEGCSA-N 359.386 2.523 5 50 FFBA Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 2802934 SJKDHGNXWFCVNI-UHFFFAOYSA-N 370.390 2.573 5 50 FFBA Cc1ccc(NC(=O)/C(=C/c2cnn(C)c2)n2cc([N+](=O)[O-])cn2)c(C)c1 6787800 VHFZPLHWEZVRGU-IDUWFGFVSA-N 366.381 2.778 5 50 FFBA COC(=O)c1cc(C(=O)Nc2cccc(NC(C)=O)c2)cc([N+](=O)[O-])c1 4177357 QKRPCBRHOOMXJM-UHFFFAOYSA-N 357.322 2.592 5 50 FFBA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc([N+](=O)[O-])cc1 5027799 TZFLVJABSLZUAB-UHFFFAOYSA-N 361.741 2.612 5 50 FFBA CN(C)CCCNc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 3908823 CKNFJVDAYVBJGC-UHFFFAOYSA-N 367.409 2.862 5 50 FFBA COc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 4977928 LYHDHDQOYKWABN-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 1212399 KTEOIVMFGWSIHU-SWLSCSKDSA-N 371.315 2.777 5 50 FFBA C[C@H](C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1)n1c(=O)oc2ccccc21 170596098 LROQLGQPZNTIPY-GFCCVEGCSA-N 355.350 2.722 5 50 FFBA CCOC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc(C)c1C 4686790 FIVJTLNIZKUVEY-SECBINFHSA-N 366.399 2.846 5 50 FFBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 4456028 HXTDJPNCFDXLHH-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA CC(C)CNC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 1145829 UUYCYQRUEGTFJD-UHFFFAOYSA-N 371.393 2.998 5 50 FFBA COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 194821010 ZLDJQSSSKXVVJR-UHFFFAOYSA-N 362.407 2.957 5 50 FFBA CCN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2cc([N+](=O)[O-])ccc21 5013646 XCJZWQGDTOQNQW-SFHVURJKSA-N 358.325 2.561 5 50 FFBA COC(=O)c1cc(NC[C@H]2CCCO2)c(Br)cc1[N+](=O)[O-] 1875325971 IUKDWILSRGFOCV-MRVPVSSYSA-N 359.176 2.735 5 50 FFBA CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2ccc([N+](=O)[O-])cc2)c1C 1199184 JRSQFXLHMDFYAU-UHFFFAOYSA-N 374.422 2.858 5 50 FFBA CCOC(=O)c1ncn(C2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)c1N 225648121 CIRAQNRGMZELSY-UHFFFAOYSA-N 373.413 2.700 5 50 FFBA COc1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c([N+](=O)[O-])cc1OC 4616595 AZDNAXXUOUUVTB-UHFFFAOYSA-N 373.365 2.847 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)NCc1ccccc1 4978868 RFFXWTXMOOGQMZ-UHFFFAOYSA-N 365.349 2.500 5 50 FFBA O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3cccc(O)c3)CC2)c1 6402384 KVOGWAWHGDZIQV-UHFFFAOYSA-N 358.423 2.819 5 50 FFBA COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 19732834 XQTYQBWHSBETCU-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA CN(C)C(=O)N[C@@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4531852 HVANRYOBXAAFEF-SECBINFHSA-N 355.609 2.974 5 50 FFBA CCOC(=O)[C@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 55543130 GBYDFWQXQSDEBU-CYBMUJFWSA-N 352.387 2.530 5 50 FFBA O=[N+]([O-])c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 5041405 AIDXHLYYJXTFBK-UHFFFAOYSA-N 353.444 2.760 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 19300888 HGYFEULCVACRRI-UHFFFAOYSA-N 374.393 2.956 5 50 FFBA CCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5499816 XMQWLMBQIJGUJK-UHFFFAOYSA-N 373.390 2.898 5 50 FFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)O)cc(C(=O)O)c1 13169209 JFSFSIGSOADOOS-SNAWJCMRSA-N 356.290 2.643 5 50 FFBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248380503 QGGLTQNMBCTCLA-UHXUPSOCSA-N 354.428 2.706 5 50 FFBA O=C1C(Cl)=C(Oc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 4043313 JBAQOXOOZVNVQZ-UHFFFAOYSA-N 358.737 2.993 5 50 FFBA O=C(O)CCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 5065382 AUPJYDYZHVQFBI-UHFFFAOYSA-N 370.317 2.848 5 50 FFBA COc1ccc(OCc2cccc(C(=O)Nn3cc([N+](=O)[O-])cn3)c2)cc1 4652267 KZASASKOUULWBZ-UHFFFAOYSA-N 368.349 2.763 5 50 FFBA COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 230277179 AKLMTCGIMJQNNS-UXHICEINSA-N 369.421 2.693 5 50 FFBA O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccc1[N+](=O)[O-] 1191808 LFJIDPQLWIKTFV-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA COC(=O)c1cc(NC[C@@H]2CCCO2)c(Br)cc1[N+](=O)[O-] 1875325972 IUKDWILSRGFOCV-QMMMGPOBSA-N 359.176 2.735 5 50 FFBA Cc1cc(C)c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3c2c1 676932 AHCYICCWJXFIIP-DHDCSXOGSA-N 351.387 2.982 5 50 FFBA Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1 5042639 QVGDDVWSITUGIE-UHFFFAOYSA-N 370.394 2.610 5 50 FFBA COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 5611870 AQGBCPMYBHVOLM-UHFFFAOYSA-N 357.366 2.628 5 50 FFBA CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 4908500 QOCHASNCRCUSRF-IYKSTZQJSA-N 370.434 2.839 5 50 FFBA COC(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 5060497 OZQRBBILPCXXPL-UHFFFAOYSA-N 373.321 2.812 5 50 FFBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)n1 4652168 DSDQUPWQEWGEMI-UHFFFAOYSA-N 370.413 2.702 5 50 FFBA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 34792224 PMTFLAWFQMHLPS-DLBZAZTESA-N 351.362 2.853 5 50 FFBA CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 5029817 ZXTTVJPEQCPPRM-UHFFFAOYSA-N 367.361 2.924 5 50 FFBA COc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 1113662 SFJJYELEPFGWSA-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA CCCC(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4543813 SZCMJOCTBQJMDW-UHFFFAOYSA-N 364.421 2.783 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@]2(CCc3ccccc32)C1 119411166 OUUNHHSXRCIBGR-LJQANCHMSA-N 354.362 2.615 5 50 FFBA CC(C)(C)NC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1234949 POSONQNTXRJMNC-UHFFFAOYSA-N 367.361 2.924 5 50 FFBA Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 2680421 UAPQJEKAZGJPEH-UHFFFAOYSA-N 353.334 2.528 5 50 FFBA COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)c1 252584436 AKLMTCGIMJQNNS-PMACEKPBSA-N 369.421 2.693 5 50 FFBA O=C1OCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 4052198 HQXKDBWLBLPDJV-INIZCTEOSA-N 352.302 2.692 5 50 FFBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 833036 FYQDPZXRMZZOCL-HNNXBMFYSA-N 357.322 2.656 5 50 FFBA COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)NCC2 22204769 DDEZIWSQYMTURV-GOSISDBHSA-N 358.350 2.576 5 50 FFBA COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 1176046 CRVJETNIKIGIGZ-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4006631 PRLQWEKGEUKOAE-UTNBAMHJSA-N 371.437 2.656 5 50 FFBA CCc1ccc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cc1[N+](=O)[O-] 225629792 JEHKQTPPHKPCNG-UHFFFAOYSA-N 354.366 2.851 5 50 FFBA O=C(O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 792949 IIJQJWNGBILZCU-UHFFFAOYSA-N 356.743 2.747 5 50 FFBA COc1ccc(Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(=O)[nH]2)cc1 8567241 OVMFYLSJXIBCKN-UHFFFAOYSA-N 354.326 2.569 5 50 FFBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 19536975 FHTCCXVIZMFBSW-QPJJXVBHSA-N 365.433 2.995 5 50 FFBA CN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 1068086 JHFISHRHNDISFW-QGZVFWFLSA-N 360.753 2.685 5 50 FFBA CN(CCn1cccn1)C(=O)Cn1c(=O)c2ccccc2c2ccccc21 95525627 SMCANRYFVPRZBU-UHFFFAOYSA-N 360.417 2.510 5 50 FFBA CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 4866830 UBRVJLIUDXQIDP-OAHLLOKOSA-N 357.370 2.819 5 50 FFBA O=C(NCc1ccccc1Cl)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 834682 LOHBODDNWAYKQV-ZDUSSCGKSA-N 373.796 2.918 5 50 FFBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccn1 1071900 WWUYWTAPPDQRGR-UHFFFAOYSA-N 357.351 2.771 5 50 FFBA C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@@H](C)O1 239782571 CPHLIVBUPMAJGM-BETUJISGSA-N 356.382 2.856 5 50 FFBA CC1(C)Cc2c(cnn2-c2ccc(F)cc2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 952893089 RIYKNEKIZPMFNN-HZPDHXFCSA-N 372.400 2.588 5 50 FFBA Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc2ccc(Cl)nc2s1 239722495 CCYHIUHWJDLXQH-UHFFFAOYSA-N 366.790 2.787 5 50 FFBA COC(=O)c1cn(CCc2ccc([N+](=O)[O-])cc2)c2c1-c1nccn1CC2 44126837 YVMNOSFWPLASTO-UHFFFAOYSA-N 366.377 2.845 5 50 FFBA COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 815842 ZCSAVJRPGZHZHC-BEFAXECRSA-N 356.378 2.871 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@@]2(CCOC2)C1 170591475 RAEGQMANDAUCEC-BMIGLBTASA-N 355.778 2.708 5 50 FFBA COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C 5000154 WGMYNIRRKXOJCE-UHFFFAOYSA-N 364.379 2.799 5 50 FFBA COc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 2871469 MWJNXRLNVYYGTM-GFCCVEGCSA-N 355.350 2.595 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 72400616 FAFWLBOSKDZHKI-UHFFFAOYSA-N 362.210 2.550 5 50 FFBA in-vitro Cc1c(Nc2c([N+](=O)[O-])ccc3nonc23)c(=O)n(-c2ccccc2)n1C 4658764 HUGVDLJPUISXLD-UHFFFAOYSA-N 366.337 2.672 5 50 FFBA Cn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1cccc(Cl)c1 17072796 XJHGAIIMVPRKQR-UHFFFAOYSA-N 350.791 2.990 5 50 FFBA CCC(=O)c1ccc(OCC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 1108324 HIZNRSQOEPZWME-UHFFFAOYSA-N 372.377 2.891 5 50 FFBA O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 1161201 RWKZAWVAQIYASM-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA O=C(C[C@H](NCCC1=CCCCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1 2852846 QXGYVMCWQXLZCL-INIZCTEOSA-N 361.398 2.857 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC1CCCCCC1 1430029 RAWGQAVPMQVBSV-UHFFFAOYSA-N 359.224 2.701 5 50 FFBA COc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] 408171975 QDCFRUJQOSRMFO-MLGOLLRUSA-N 354.428 2.804 5 50 FFBA CC1=C(C(=O)OCc2ccco2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 844463 YYTHXCTWIGEWMU-HNNXBMFYSA-N 357.322 2.559 5 50 FFBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 1212396 KTEOIVMFGWSIHU-WFASDCNBSA-N 371.315 2.777 5 50 FFBA CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 2832595 KBKQIIVELBRSIE-ATVHPVEESA-N 353.378 2.810 5 50 FFBA O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4865896 CZHQGRKQMMBGNU-UHFFFAOYSA-N 363.320 2.962 5 50 FFBA C[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 947369 YHOVPIUQSVDYHH-SECBINFHSA-N 373.752 2.871 5 50 FFBA O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1Cc1ccco1 36125574 LKPVZYFLCVVOQO-UHFFFAOYSA-N 370.368 2.737 5 50 FFBA Cc1ccc(SCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027825 YTTZXRZFSYWZOV-UHFFFAOYSA-N 352.437 2.974 5 50 FFBA C[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 4763657 RMDSOBUAMXNVDC-ZDUSSCGKSA-N 358.350 2.953 5 50 FFBA COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 4810652 VHACDOGHTZMDTR-ZDUSSCGKSA-N 369.377 2.903 5 50 FFBA O=C(Nc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 12375155 WNZGURYHRFQFJS-UHFFFAOYSA-N 367.317 2.669 5 50 FFBA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4581082 LJWSEVGWIRJZAO-MRXNPFEDSA-N 358.350 2.939 5 50 FFBA CCN1CCN(c2nn3c(=O)c4ccccc4nc3c3ccccc23)CC1 948425 JIXXDSXYICGICA-UHFFFAOYSA-N 359.433 2.538 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ccc([N+](=O)[O-])cc1 100103791 OUYHHVXCWZAPMH-MRXNPFEDSA-N 360.366 2.566 5 50 FFBA CCc1nc(CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c2ccccn12 170607024 DHRANNHQPNFHJN-UHFFFAOYSA-N 366.425 2.522 5 50 FFBA O=C(Cn1cnnn1)Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12 1089566 UEHIBTDOEZSAOB-UHFFFAOYSA-N 364.321 2.633 5 50 FFBA COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)c([N+](=O)[O-])c1 101359456 ACQONOVWRBWMHI-SYWGBEHUSA-N 354.362 2.861 5 50 FFBA O=C(c1ccc2c(c1)CCN2)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 237906662 IBYXKBVWABSGJS-UHFFFAOYSA-N 352.394 2.525 5 50 FFBA COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1[N+](=O)[O-] 1132648 RVSCHHNDABYDDR-RIYZIHGNSA-N 371.324 2.835 5 50 FFBA COc1cccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 19773755 UXAYPTFJHVQVRI-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA COc1cc(OC)cc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 1179960 GMOJTNLFDPNWPZ-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA COc1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 851732 JKYZJMPNADPQKV-UHFFFAOYSA-N 362.338 2.882 5 50 FFBA COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC 1218273 PYQACRBBNQZYPI-UHFFFAOYSA-N 359.338 2.823 5 50 FFBA CCc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 3904049 NKDYRTFCSXWRBW-UHFFFAOYSA-N 369.421 2.885 5 50 FFBA Cc1cc(=O)oc2cc(OCC(=O)N3CCCCCC3)c([N+](=O)[O-])cc12 937216 GJTCXBCOKCBXBQ-UHFFFAOYSA-N 360.366 2.791 5 50 FFBA Cc1c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cccc1C(=O)O 2213344 CPSJNNRYDDTTJW-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA COc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3C)CCO2)cc1 870105488 GXXWJSMZUYEKDB-QGZVFWFLSA-N 357.366 2.521 5 50 FFBA CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n([C@@H](C)CC)c1=N 100628088 ROFHMABAQPCCMX-LBPRGKRZSA-N 354.410 2.585 5 50 FFBA CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc(C)c1C 845092 ACEJDFDKPLXIRT-UHFFFAOYSA-N 366.399 2.593 5 50 FFBA CCCCCN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 13322773 GLZKSDYFZGMMBN-UHFFFAOYSA-N 350.419 2.943 5 50 FFBA O=[N+]([O-])c1ccc2nc(CN3CCC(O)(c4ccccc4)CC3)[nH]c2c1 769789102 OQHKONBPQWDXRR-UHFFFAOYSA-N 352.394 2.955 5 50 FFBA Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]2C=CS(=O)(=O)C2)cc1 3173594 NLYIDGYGOJUKMH-QGZVFWFLSA-N 372.402 2.861 5 50 FFBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CC(C(F)(F)F)C1 253426982 CQMPWKOPTDFXDB-UHFFFAOYSA-N 360.260 2.590 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)O 4949485 DHZWDJJUPAFQHR-GHMZBOCLSA-N 354.746 2.775 5 50 FFBA Cc1cc(C)c2c(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nn(C)c2n1 12446566 ZPTDWEGMVXDPKQ-UHFFFAOYSA-N 370.325 2.654 5 50 FFBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC[C@H]1CCCO1 834566 DIQRRRASKWSQRT-SNVBAGLBSA-N 353.425 2.592 5 50 FFBA COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1[N+](=O)[O-] 1149650 LBFXOAAYPPXFTN-UHFFFAOYSA-N 359.357 2.705 5 50 FFBA CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 1164920 JWKDQMFMASXOJI-UHFFFAOYSA-N 356.334 2.983 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 1137220 YNEASVJBVMRQBN-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA O=[N+]([O-])c1ccc(-n2ncc3c([N+](=O)[O-])cc([N+](=O)[O-])cc32)c([N+](=O)[O-])c1 33353949 URDVCOUTNQZQSO-UHFFFAOYSA-N 374.225 2.658 5 50 FFBA COc1ccc(N2C3=[N+](CCCC3)C[C@]2(O)c2cccc([N+](=O)[O-])c2)cc1 17147234 BUAGDZXBZRLSJI-FQEVSTJZSA-N 368.413 2.864 5 50 FFBA O=C(Nc1nc2ccc(OC(F)F)cc2s1)c1n[nH]cc1[N+](=O)[O-] 6448511 WDYZDUJCJAFZPQ-UHFFFAOYSA-N 355.282 2.781 5 50 FFBA C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@H]1C 248366694 SLLJWKFGKWYTJX-IUCAKERBSA-N 363.233 2.776 5 50 FFBA O=C(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1cc([N+](=O)[O-])[nH]n1 239527608 ATKKKBWCIRXHRH-UHFFFAOYSA-N 366.259 2.775 5 50 FFBA CCOc1ccccc1N1CCN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)CC1 163972635 DPTAVGLVQUGERK-UHFFFAOYSA-N 371.393 2.662 5 50 FFBA CN(C)[S@](=NS(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 2568412 ZRQYBSVXJKCNGY-JOCHJYFZSA-N 353.425 2.621 5 50 FFBA Cc1nn(CC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c1[N+](=O)[O-] 826506 GFLBFGZCQXTANX-UHFFFAOYSA-N 358.276 2.945 5 50 FFBA O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1CCCO 4093748 ZUPKJRCGNRNGGM-MDZDMXLPSA-N 351.362 2.858 5 50 FFBA O=C(O)CCCn1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 4698641 MWCJHTUBXXMEJW-UHFFFAOYSA-N 352.734 2.562 5 50 FFBA CC(C)OC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 943458 GBRLAQINSRFYTB-UHFFFAOYSA-N 364.379 2.961 5 50 FFBA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1115107 ANXRXBJOHOQQPE-QGZVFWFLSA-N 369.377 2.756 5 50 FFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@H](CCc2ccccc2)C1 120127121 UPYUMAFDINAPAW-MRXNPFEDSA-N 356.378 2.774 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1 100036965 ITAOFSSOVNYZCS-UHFFFAOYSA-N 374.393 2.956 5 50 FFBA in-vitro CCOC(=O)Cn1nc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C 1426755 OOARRHHHGGLYMT-UHFFFAOYSA-N 360.370 2.532 5 50 FFBA O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775249 ZBOGZWPHCBMDNR-UHFFFAOYSA-N 366.333 2.821 5 50 FFBA O=C(Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 6224890 NBQUQSCGAPZIOO-UHFFFAOYSA-N 363.713 2.907 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)O 4834271 YUYISPSMVKNXOS-QWRGUYRKSA-N 354.746 2.775 5 50 FFBA COC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C1CC1 253419429 RFWYYKQIEVYYSS-KGLIPLIRSA-N 352.774 2.519 5 50 FFBA C=CC(=O)Nc1cccc(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)c1 2325888969 BZVSCLLLKDUUGB-UHFFFAOYSA-N 351.362 2.918 5 50 FFBA COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC 865095 BJVGXVRPAWUVCR-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(CCc1nc2ccccc2[nH]c1=O)OCc1cccc([N+](=O)[O-])c1 16320109 OEKNYOLCMFYMKX-UHFFFAOYSA-N 353.334 2.507 5 50 FFBA CCOc1ccc2nc(NC(=O)c3nn(C)c(C)c3[N+](=O)[O-])sc2c1 2761708 YEFPLTMDIGOEQA-UHFFFAOYSA-N 361.383 2.897 5 50 FFBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 1212401 KTEOIVMFGWSIHU-IUODEOHRSA-N 371.315 2.777 5 50 FFBA O=C(O)CCC(=O)Nc1sccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 17074709 NYNUPERRJGDAQD-UHFFFAOYSA-N 363.351 2.712 5 50 FFBA O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cc2F)ccn1)N1CCOCC1 91294577 PXCLOBPSDSYDFW-UHFFFAOYSA-N 362.317 2.785 5 50 FFBA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])NCC2 22204806 BPZRORNUZRKVSV-IBGZPJMESA-N 374.393 2.864 5 50 FFBA CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2C1=O 1004633 VYRCZEDGKVOYMC-UHFFFAOYSA-N 359.725 2.726 5 50 FFBA CCn1cc2nc(SCc3cccc([N+](=O)[O-])c3)n(CC)c(=O)c2n1 2802942 MRBWRAXFFRHIOK-UHFFFAOYSA-N 359.411 2.833 5 50 FFBA COc1cc(Cl)c(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1Cl 1157440 FUAAABXLVCMDPA-UHFFFAOYSA-N 366.182 2.652 5 50 FFBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 4750299 XXJSKDGDYGAJDD-OAHLLOKOSA-N 355.394 2.711 5 50 FFBA COc1ccc(-n2nc([N+](=O)[O-])c(NCCC3=CCCCC3)[n+]2[O-])cc1 4813785 VJNCCYQQDJEHCF-UHFFFAOYSA-N 359.386 2.725 5 50 FFBA O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccccc1 4603028 HKNHRQXCQCDBFV-UHFFFAOYSA-N 355.803 2.639 5 50 FFBA O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 182601475 WNGUTOLETWWKMJ-IRXDYDNUSA-N 364.833 2.937 5 50 FFBA Cc1ccc(C)c(OCCNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 5065605 KDKRGQIJHGSXSD-UHFFFAOYSA-N 364.423 2.877 5 50 FFBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)oc12 1061193 ZGSQUCDIWPUGLR-GHMZBOCLSA-N 360.366 2.828 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 239415384 UGQUNBCGFMJVEJ-XOYOTBSWSA-N 362.341 2.554 5 50 FFBA O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4819017 XDMBTRVEOYZCLL-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA CCO[C@@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(C)cc1C2=O 4709514 CDQFNTROYLTGGV-SFHVURJKSA-N 353.334 2.988 5 50 FFBA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1 4090909 HEHAJNQVBZSNFZ-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)CCN1C(=O)COc2ccccc21 170617596 FJCFSZWBMMUMKY-UHFFFAOYSA-N 369.377 2.966 5 50 FFBA O=C1N=C(O)N=C(O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1864355 WMQWWCIYQLRBMC-UHFFFAOYSA-N 354.278 2.576 5 50 FFBA COC(=O)c1c(NC(=O)c2n[nH]cc2[N+](=O)[O-])sc2c1CCCCC2 6265872 SEFCBKZUFNRYGX-UHFFFAOYSA-N 364.383 2.687 5 50 FFBA CC(=O)OCCN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O 4156828 OTCIHBPMXXWCQC-UHFFFAOYSA-N 370.317 2.546 5 50 FFBA O=C(O)CN1C(=O)S/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)C1=O 100697552 QUKCQRWKTGLCEL-YCQMDOFOSA-N 368.754 2.838 5 50 FFBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1c(F)c(F)c(F)c(F)c1F 2091166 DDOJZLRGVSACQG-UHFFFAOYSA-N 350.203 2.759 5 50 FFBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 5049782 GQYVNBZYWISKPY-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA O=C(Cn1c(NCCCO)nc2ccccc21)c1cccc([N+](=O)[O-])c1 2897748 CCXMXEKZGGSJMS-UHFFFAOYSA-N 354.366 2.622 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(OC)c(OC)c(OC)c1 2156386 CFXSMYUMPNMRSC-UHFFFAOYSA-N 362.338 2.882 5 50 FFBA O=C(N[C@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4964735 GNDDAJZIDWBMGU-FVTZREDMSA-N 358.394 2.994 5 50 FFBA COc1cc([N+](=O)[O-])c(C(=O)N=c2cc(C(F)F)n(C)[nH]2)cc1SC 1875271888 VFJDEGUMNGNSRK-UHFFFAOYSA-N 372.353 2.671 5 50 FFBA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 4810650 IGGGCTKOYQUNGA-UHFFFAOYSA-N 370.394 2.610 5 50 FFBA Cc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5027552 CCFUUALRJUIQJH-UHFFFAOYSA-N 355.394 2.631 5 50 FFBA O=C(NC1CC1)[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br 225505147 PUZUKOAZBVKFQL-CYBMUJFWSA-N 354.204 2.605 5 50 FFBA COc1cccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 19773814 PFXKHBXHSOHPTO-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 1181264 VVTUNMLLUZHRFW-UHFFFAOYSA-N 373.390 2.817 5 50 FFBA O=C(N1CCc2cc([N+](=O)[O-])c(Br)cc2C1)C(F)(F)F 79387324 ZDVBRUOONPLBFS-UHFFFAOYSA-N 353.094 2.804 5 50 FFBA O=C(N/C(=C/c1ccco1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 1232198 PIGGNSAHTIZGIE-GHRIWEEISA-N 369.377 2.971 5 50 FFBA O=C(Oc1ccccc1C(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1 866320 IBISNWSJGIZYHI-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCN(c2ccccc2)CC1 4687444 PASCVGLRRTYFNK-UHFFFAOYSA-N 368.437 2.758 5 50 FFBA Cc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1Br 1070960 AXASLNUNYSXWDS-UHFFFAOYSA-N 353.176 2.809 5 50 FFBA NC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCCCC1 2878527 KTUDQRFWRTURBT-UHFFFAOYSA-N 368.393 2.936 5 50 FFBA COc1ccc(OC)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2781345 SMFJOJSHMQWUBA-NSHDSACASA-N 366.395 2.652 5 50 FFBA O=C(O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)cc(C(=O)O)c1 5092571 HOPMJPYIZDIESV-UHFFFAOYSA-N 364.697 2.897 5 50 FFBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCn2cncc2C1 72171653 JKWPPYINPAGGJE-UHFFFAOYSA-N 358.401 2.924 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 2982121 HYTIFPXKHMPIKD-UHFFFAOYSA-N 374.422 2.796 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccccc1 4413888 BNFUQHXBLOXZCU-UHFFFAOYSA-N 355.803 2.639 5 50 FFBA O=[N+]([O-])c1ccc(NC(=S)NNC(=S)NC2CCCCC2)cc1 5041751 BLAHWRZURKUQMJ-UHFFFAOYSA-N 353.473 2.593 5 50 FFBA Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4749695 JHIZKIHHWKBBKV-UHFFFAOYSA-N 355.394 2.631 5 50 FFBA O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 4833943 RCSXIQXXJKLASH-UHFFFAOYSA-N 374.324 2.879 5 50 FFBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 100186891 RTUNLQSOBPMNDX-IYVPYFHTSA-N 354.362 2.861 5 50 FFBA O=[N+]([O-])c1ccc(N2CC[C@@H](O)C2)c(OC(F)F)c1Br 252495509 ORWYAKDELHDTCG-ZCFIWIBFSA-N 353.119 2.530 5 50 FFBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2ccc(F)cc2)c1=N 334157490 BNNHCHUVAXGRBK-UHFFFAOYSA-N 354.341 2.903 5 50 FFBA COc1ccc2c(c1)CCCN(c1cc3nc[nH]c(=O)c3cc1[N+](=O)[O-])C2 170621102 HAVLBOAOYVTXCM-UHFFFAOYSA-N 366.377 2.793 5 50 FFBA COc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19555337 JPQIOJOHCXMWRX-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)s1 1227105 MWVFEORPRLVLHS-UHFFFAOYSA-N 361.423 2.703 5 50 FFBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 2874862 NLLNFHRAAHLQQX-UHFFFAOYSA-N 374.328 2.605 5 50 FFBA COc1cc2c(cc1OC)CN(Cc1cc(OC)c(O)c([N+](=O)[O-])c1)CC2 4990256 BAWFPBYPEYZPAI-UHFFFAOYSA-N 374.393 2.885 5 50 FFBA O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc([N+](=O)[O-])cc1 5650269 CLGVCJFAHFIZIR-MRXNPFEDSA-N 353.334 2.502 5 50 FFBA COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 815841 ZCSAVJRPGZHZHC-HNAYVOBHSA-N 356.378 2.871 5 50 FFBA CCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 845886 HWKFJSRQQSFMRN-AWEZNQCLSA-N 359.304 2.777 5 50 FFBA O=C(c1ccc(F)cc1F)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4191946 CFEKVJPOSLVIMZ-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 2843016 OSGGFMMTKFQICF-UHFFFAOYSA-N 352.368 2.803 5 50 FFBA C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 245324822 ACHWJVLPCCQNFU-XHDPSFHLSA-N 374.393 2.578 5 50 FFBA COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1172491 WBUUPKYYLPLIDI-UHFFFAOYSA-N 359.363 2.508 5 50 FFBA O=C(NCc1ccco1)c1cc(C(=O)NCc2ccco2)cc([N+](=O)[O-])c1 1190334 GUTQAMASTDCINY-UHFFFAOYSA-N 369.333 2.641 5 50 FFBA COc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 4455744 FIZFQRGELLVZCI-UHFFFAOYSA-N 373.409 2.931 5 50 FFBA COc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)O)cc1OC 4826102 YTQFGBJDAGTWTE-UHFFFAOYSA-N 360.322 2.871 5 50 FFBA O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C/C1(O)CCCCC1)O2 19782220 NTHQPAPZADRELK-FDWYHIAWSA-N 360.410 2.940 5 50 FFBA COC(=O)c1cc(N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)ccc1[N+](=O)[O-] 225580842 LYDBQQOARJAVBH-QAPCUYQASA-N 369.377 2.813 5 50 FFBA COc1cccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1OC 55543843 IPILBYTZNFRPGJ-UHFFFAOYSA-N 357.410 2.934 5 50 FFBA CN(C)[C@@H]1c2ccccc2C2(CCN(c3ccc([N+](=O)[O-])cn3)CC2)[C@H]1O 20784615 ROQHDRUZBDBOAX-MOPGFXCFSA-N 368.437 2.505 5 50 FFBA CC[C@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 756435 VMSZQHJEPVIJKC-JTQLQIEISA-N 359.224 2.653 5 50 FFBA O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 100514696 WVQOHYAIIJNDHE-UHFFFAOYSA-N 373.325 2.738 5 50 FFBA CNc1cc(N2CCN(C(=O)c3ccccc3C)CC2)ccc1[N+](=O)[O-] 4703764 RJYKWFMDVDEQSK-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 247344089 TZPGTEGLWDWRRN-XOYOTBSWSA-N 362.341 2.554 5 50 FFBA COc1cc(CO)ccc1Oc1nc([N+](=O)[O-])nn1Cc1ccccc1F 1059153 BAGCGHDJIDFEGF-UHFFFAOYSA-N 374.328 2.667 5 50 FFBA Cc1cc(C(=O)O)cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1C 459009 YCXSKXINYZRFOL-UHFFFAOYSA-N 350.352 2.711 5 50 FFBA COc1ccc(C2=[N+]([O-])[C@](C)(c3cccc([N+](=O)[O-])c3)N(O)[C@@H]2C)cc1 4833411 KZWRWRMXTOTDJZ-KZULUSFZSA-N 357.366 2.869 5 50 FFBA O=[N+]([O-])c1cnn(C(=S)Nc2cnn(Cc3ccccc3Cl)c2)c1 2802291 XOQPIUGNHOAIKT-UHFFFAOYSA-N 362.802 2.935 5 50 FFBA Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-n2cnnc2C)c1 131488137 QSDDQHPXYIKNHU-UHFFFAOYSA-N 373.394 2.593 5 50 FFBA CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1 4899673 YJTUIVMGRIFXTD-AWEZNQCLSA-N 366.418 2.556 5 50 FFBA biogenic,in-vitro CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 1175176 IAECCXUAPKSNDA-UHFFFAOYSA-N 372.406 2.988 5 50 FFBA COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 2876691 UPRHPLXVQZMXHN-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA CCCC1=C(C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2ncnc2N1 4866826 UBRVJLIUDXQIDP-HNNXBMFYSA-N 357.370 2.819 5 50 FFBA CCN1C(C)=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C 2775253 SXFPCJUPGQFXDT-UHFFFAOYSA-N 374.393 2.908 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)O[C@]12CCOC(C)(C)C2 1133610 HHSBXLGQZNIDHW-UGSOOPFHSA-N 362.382 2.733 5 50 FFBA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 4115951 LCYXUFMXQYWZEG-INIZCTEOSA-N 354.366 2.973 5 50 FFBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)C 101360461 UJMIUWDBMSNVBU-SYWGBEHUSA-N 354.362 2.861 5 50 FFBA C[C@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 229657182 HPGJFSQSGOEBLG-JKIFEVAISA-N 362.430 2.700 5 50 FFBA C[C@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccccc1 19680961 KSWMMSXKVYUSPZ-INIZCTEOSA-N 370.453 2.882 5 50 FFBA O=[N+]([O-])c1ccc(=NCc2ccnc(O)c2)[nH]c1OCc1ccccc1 462688573 AYIWVUYESNPFPX-UHFFFAOYSA-N 352.350 2.703 5 50 FFBA CCn1ncc(Br)c1C(=O)Nc1cc([N+](=O)[O-])ccc1F 2763793 XAPHOPGLQCGWKO-UHFFFAOYSA-N 357.139 2.965 5 50 FFBA COC(=O)N1CCC([C@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 170600789 CNGHCPGQXMQKCP-VIFPVBQESA-N 355.416 2.561 5 50 FFBA Cc1ccc(-c2nnc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n23)cc1 1068623 GVMRZKIUTZOGRS-GDNBJRDFSA-N 364.386 2.582 5 50 FFBA C[C@@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1150575 GDJHZUVANXIYDW-VIFPVBQESA-N 373.752 2.871 5 50 FFBA COc1cccc(OC)c1Sc1nc2ccccn2c(=O)c1[N+](=O)[O-] 170606343 REUKSUUIZJPYME-UHFFFAOYSA-N 359.363 2.771 5 50 FFBA CC(=O)Oc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1 1227944 JBYSSHUHAVLLCX-CXUHLZMHSA-N 352.302 2.865 5 50 FFBA CN1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 225443954 PHAGQYLSRDGKRY-MRXNPFEDSA-N 357.410 2.681 5 50 FFBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)cc1 37867303 IWYREMYATZTVON-UHFFFAOYSA-N 374.422 2.557 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 1133611 HHSBXLGQZNIDHW-FZKQIMNGSA-N 362.382 2.733 5 50 FFBA COC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 2831268 GQMMCGGEGLZMNF-SXSDINLZSA-N 354.362 2.509 5 50 FFBA CC[C@@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2847796 QKSQHYHIOGYKRK-SECBINFHSA-N 369.424 2.869 5 50 FFBA Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 100218399 BRHNCZMUTYQKOY-VGOFMYFVSA-N 364.317 2.650 5 50 FFBA Cc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1[N+](=O)[O-] 6520655 SDEYYWHSPXFBPP-UHFFFAOYSA-N 356.425 2.708 5 50 FFBA C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Br)cc1F 2794307 QUIYLDJCMVWFHM-MRVPVSSYSA-N 371.166 2.968 5 50 FFBA CO[C@](F)(C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(F)(F)F 3672550 XWEKGMTXRSUTJU-SNVBAGLBSA-N 355.200 2.624 5 50 FFBA O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 3004390 LZLANBSFUYYSLR-UHFFFAOYSA-N 362.382 2.550 5 50 FFBA O=C(NC(=S)/N=c1/[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1 4754825 NVBRSRGACVJXGB-UHFFFAOYSA-N 374.403 2.860 5 50 FFBA CC(C)(CO)[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 429725978 ZQUOKHNSQMIZIS-LPHOPBHVSA-N 374.437 2.684 5 50 FFBA O=[N+]([O-])c1cc(I)ccc1I 21990584 WNAMUUCHNYHBEV-UHFFFAOYSA-N 374.903 2.804 5 50 FFBA in-vitro CC[C@@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br 301598448 TYIIMYGVEGJWSE-GHMZBOCLSA-N 355.236 2.815 5 50 FFBA O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 100184261 HTJWAVURXJMVGD-QQXRRDQMSA-N 363.167 2.669 5 50 FFBA O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccccc1[N+](=O)[O-] 1166555 KMJBFWGJLVFGMR-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA COc1ccccc1N1CCN(Cc2cc(OC)c(O)c([N+](=O)[O-])c2)CC1 1227665 GUOIGNFASCHGPM-UHFFFAOYSA-N 373.409 2.640 5 50 FFBA CCCc1cc(C(N)=O)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 4750358 KGZFPXQYUZWMQP-UHFFFAOYSA-N 363.395 2.969 5 50 FFBA COC(=O)c1cccc([N+](=O)[O-])c1CN1CCN(c2ccc(F)cc2)CC1 59846825 AUSDNLSXUAWTAE-UHFFFAOYSA-N 373.384 2.843 5 50 FFBA CN(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5014613 IDIDSOHCHNOYBX-UHFFFAOYSA-N 354.410 2.623 5 50 FFBA C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 3830579 HOOSGZJRQIVJSZ-GTPZEUEISA-N 352.454 2.705 5 50 FFBA fda Cc1cccc(CN2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)c1 253418281 NZPXETBWSMCGKR-UHFFFAOYSA-N 355.394 2.567 5 50 FFBA CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1171404 HPOLSCWTUFZCDJ-UHFFFAOYSA-N 358.379 2.680 5 50 FFBA O=C(O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)O)c1 4695632 GRHRIKLVUZIDHD-UHFFFAOYSA-N 364.697 2.897 5 50 FFBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)ccc1Cl 8855429 XDODXQCVSYGUCR-UHFFFAOYSA-N 352.759 2.925 5 50 FFBA CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 170622598 JMCHSPDNPGUQQM-HNNXBMFYSA-N 373.413 2.597 5 50 FFBA COc1ccc(C(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1OC 4581225 UIHOUMYBWWQKKH-CQSZACIVSA-N 374.349 2.558 5 50 FFBA COC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1179741 OBIIAKPYPMKNKK-UHFFFAOYSA-N 373.390 2.817 5 50 FFBA O=c1nc2c3ccccc3nc(CSCCO)n2nc1-c1ccccc1 253428469 AORYXNZAZKZUDK-UHFFFAOYSA-N 364.430 2.530 5 50 FFBA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc([N+](=O)[O-])cc1 5061033 MHWRZVHRHIAXTA-UHFFFAOYSA-N 353.334 2.610 5 50 FFBA O=[N+]([O-])c1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCOCC3)cc12 3624914 ITVNBKVOCBYPLF-UHFFFAOYSA-N 362.363 2.515 5 50 FFBA Cc1nn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Br 2796298 MRFLHXHJHUUXLO-UHFFFAOYSA-N 367.203 2.601 5 50 FFBA COc1cc(S(=O)(=O)N2CC[C@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] 408171974 QDCFRUJQOSRMFO-LRDDRELGSA-N 354.428 2.804 5 50 FFBA COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC 865234 SEOAUWSQSIANOK-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccc([N+](=O)[O-])c1 1124393 FVTJOMLVVPMXPL-UHFFFAOYSA-N 363.443 2.880 5 50 FFBA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 2997569 OTFZECNRPMJQLC-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA Cc1nc(N2CCC3(CC2)C[C@H]3N(C)Cc2nccs2)ncc1[N+](=O)[O-] 294903392 HGQZZRRESJEUEB-CQSZACIVSA-N 374.470 2.641 5 50 FFBA Cc1ccc(SCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 2872408 MAKKGOWVDKTEGB-UHFFFAOYSA-N 352.437 2.974 5 50 FFBA CCSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 17074881 UHUJDIGZHQZTNK-CQSZACIVSA-N 364.423 2.769 5 50 FFBA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1076631 ALSLOQLZXRBSHJ-UHFFFAOYSA-N 363.395 2.534 5 50 FFBA COc1ccccc1Nc1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-] 4949459 SAOLVHFXHTZATP-UHFFFAOYSA-N 371.353 2.720 5 50 FFBA CCOC(=O)c1c(NC(C)=O)sc2c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c12 8781317 IIGUNLSMXWMKEU-UHFFFAOYSA-N 369.311 2.558 5 50 FFBA Nc1nccc([C@@H]2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)n1 253410478 AQOQUDLSXFPKCS-SNVBAGLBSA-N 361.789 2.640 5 50 FFBA Cc1ccc(OCC(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 2971546 QPUCXYWYUXFJQU-UHFFFAOYSA-N 363.370 2.934 5 50 FFBA COC(=O)c1sccc1NC(=O)COc1ccc(C)cc1[N+](=O)[O-] 6690866 HTCPWIVIRZBGOI-UHFFFAOYSA-N 350.352 2.769 5 50 FFBA O=[N+]([O-])c1ccc(NCCN2CCOc3nc4ccccc4nc32)cc1 3894388 DDOGPNRYQMCWLT-UHFFFAOYSA-N 351.366 2.849 5 50 FFBA CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=N 100318741 ZBWKDXPRKZXWGY-UHFFFAOYSA-N 366.421 2.811 5 50 FFBA COc1cc2c(cc1OC)[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)N2 1440250 ATBNZGVSEHYHFM-SECBINFHSA-N 372.333 2.815 5 50 FFBA CN(C[C@@H](O)c1ccc(F)cc1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C 2325760104 UUZPVRGOKLFUIP-SNVBAGLBSA-N 362.283 2.656 5 50 FFBA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc([N+](=O)[O-])cc2)N1 34792222 PMTFLAWFQMHLPS-SJORKVTESA-N 351.362 2.853 5 50 FFBA CC(C)(C)OC(=O)N1C[C@H](Cc2ccccc2[N+](=O)[O-])C[C@H]1C(=O)O 4241399 MMSLRHMTRUSAAU-RISCZKNCSA-N 350.371 2.848 5 50 FFBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccccc2)c(Cl)c1 4549815 QFWQHGZRROBGHS-UHFFFAOYSA-N 355.803 2.639 5 50 FFBA Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 163938293 GXJGSCFEOMHWAZ-GOSISDBHSA-N 370.409 2.721 5 50 FFBA CC[C@@H](C)Oc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 5041313 YWRSRJLSXAEOLX-BREXMAIKSA-N 361.354 2.740 5 50 FFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 4043754 BGHLTIAWFVXZAD-LLVKDONJSA-N 353.334 2.526 5 50 FFBA COCCC1(CNc2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CCCC1 225822440 KCEFGSRMQREQBQ-UHFFFAOYSA-N 362.430 2.794 5 50 FFBA O=C(NCCc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2181374 JWRKIRHUYDKTTG-UHFFFAOYSA-N 354.322 2.957 5 50 FFBA biogenic CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccc1[N+](=O)[O-] 19204753 WFNGAIVVQLEDRI-UHFFFAOYSA-N 374.393 2.956 5 50 FFBA CC(C)c1[nH]nc(C(=O)NC[C@@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] 269500620 YZNNMEUJDBGTSA-HNNXBMFYSA-N 371.441 2.836 5 50 FFBA CN1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)c2ccccc21 170634522 PHAGQYLSRDGKRY-INIZCTEOSA-N 357.410 2.681 5 50 FFBA CCOc1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4980369 ZWTKBORAWASERZ-UHFFFAOYSA-N 352.368 2.803 5 50 FFBA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1123363 HXQQQVWXCTZYPP-UHFFFAOYSA-N 374.393 2.825 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc(=O)sc2c1 4148308 ZOZOTONYJBKVLQ-UHFFFAOYSA-N 366.376 2.872 5 50 FFBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)cc1 850475 LYKUKHMFZWLMOF-UHFFFAOYSA-N 373.752 2.873 5 50 FFBA O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 866316 UQEXAMAGTUGRSM-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA Cc1cc(C(=O)Nc2ccccc2N2CCN(C)CC2)ccc1[N+](=O)[O-] 4758196 LLTSVBSOIUAWGU-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2794342 DVDPFIUSOUWDJF-QMMMGPOBSA-N 371.166 2.968 5 50 FFBA COc1cccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)n2C)c1 334157576 NSEKGGNNJGFQGH-UHFFFAOYSA-N 366.377 2.773 5 50 FFBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C)n2)cc1[N+](=O)[O-] 1173599 VPBHRXGXJLTINN-UHFFFAOYSA-N 360.395 2.824 5 50 FFBA O=c1oc2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 2024271 GSEFQHILHWXQCY-UHFFFAOYSA-N 353.333 2.530 5 50 FFBA biogenic Cc1cccn2cc(CCNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)nc12 170649322 BNYUNOFPBBXYRZ-UHFFFAOYSA-N 365.393 2.819 5 50 FFBA CN(C)/[S@@](=N\S(=O)(=O)c1ccccc1)c1ccccc1[N+](=O)[O-] 4531383 ZRQYBSVXJKCNGY-QFIPXVFZSA-N 353.425 2.621 5 50 FFBA CCOC(=O)C[C@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 5598222 JHFVDALEAIDZSI-HNNXBMFYSA-N 370.361 2.956 5 50 FFBA CSCCCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1 71767359 JTBLPWFLXSMUBT-ICFOKQHNSA-N 366.468 2.870 5 50 FFBA COc1cc(CNC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1OCCC(C)C 170617913 IZCWBGRQAFVMAQ-UHFFFAOYSA-N 362.386 2.681 5 50 FFBA COc1cccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 19773529 AGAYPYXCWACMFZ-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 4726729 ZPXSNTMZLSLATH-KRWDZBQOSA-N 364.361 2.592 5 50 FFBA Cc1cc(C(=O)Nc2ccc(CN3CCOCC3)cc2)ccc1[N+](=O)[O-] 19683127 UXWWZIBEALPRCP-UHFFFAOYSA-N 355.394 2.988 5 50 FFBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(N)cc1 694142 JUDJWZJHJGVFNL-UHFFFAOYSA-N 369.406 2.948 5 50 FFBA COc1ccc(OC)c(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1 865123 KJJAGWYTCOJMBK-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 247329524 OJUBIZLPFHTVPV-QRIFCXAISA-N 371.437 2.656 5 50 FFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1 1427905 JOACQBGALQTWTC-AWEZNQCLSA-N 350.330 2.888 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@]2(CCOC2)C1 170591474 RAEGQMANDAUCEC-ZUZCIYMTSA-N 355.778 2.708 5 50 FFBA COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 4580626 WDZABVQGBLMJRP-OAHLLOKOSA-N 358.350 2.858 5 50 FFBA O=C(CSc1nnnn1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] 4581376 KTHSDSVHULHESF-UHFFFAOYSA-N 362.415 2.817 5 50 FFBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccccc1N1CCOCC1 37867520 QUHLNLVHAMNEMY-UHFFFAOYSA-N 374.422 2.557 5 50 FFBA Cc1cc(C)cc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 850455 MIJLYXYYCZIKER-UHFFFAOYSA-N 367.361 2.836 5 50 FFBA C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 229657174 HPGJFSQSGOEBLG-CKEIUWERSA-N 362.430 2.700 5 50 FFBA N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)S1 5649392 FCJIBJVKKCVOGM-ZSOIEALJSA-N 369.358 2.953 5 50 FFBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)oc12 16425500 ZGSQUCDIWPUGLR-PHIMTYICSA-N 360.366 2.828 5 50 FFBA C[C@@]12CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@H]1C2(F)F 488439211 ZETHJEMWZDJGNI-IAGOWNOFSA-N 367.396 2.909 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCO[C@]2(CCOC2)C1 170591473 RAEGQMANDAUCEC-MEBBXXQBSA-N 355.778 2.708 5 50 FFBA Cc1c(NC(=O)c2ccc(CN3CCOCC3)cc2)cccc1[N+](=O)[O-] 20363372 POPXVLNFILMSBX-UHFFFAOYSA-N 355.394 2.988 5 50 FFBA COC(=O)[C@@H]1C[C@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]34 239046957 GADHYTDTGWDBMW-IVGLZMEASA-N 353.486 2.930 5 50 FFBA CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 836905 IHLBCCOGPJOUTI-UHFFFAOYSA-N 350.352 2.572 5 50 FFBA O=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 43439551 JOERSAVCLPYNIZ-UHFFFAOYSA-N 360.194 2.531 5 50 FFBA NC[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 170048443 GYPUTTODMIKSDW-DGCLKSJQSA-N 359.348 2.790 5 50 FFBA O=[N+]([O-])c1ccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 865246 YBVYBXITRCVUEC-UHFFFAOYSA-N 355.394 2.641 5 50 FFBA Cc1c(C(=O)N2CCc3c2cccc3[N+](=O)[O-])cccc1N1CCNC1=O 170640925 SNFMWHMINNFWHM-UHFFFAOYSA-N 366.377 2.636 5 50 FFBA CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 1054623 ZGPOITSNDNMJTD-UHFFFAOYSA-N 367.405 2.689 5 50 FFBA CN(C)c1ccc2cc3ccc(=[N+](C)C)cc-3n(CCCC(=O)O)c2c1 25758037 MKQMNDVKTPYYKZ-UHFFFAOYSA-O 352.458 2.709 5 50 FFBA in-vitro COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC 887180 CISHSJHQTXNEEY-UHFFFAOYSA-N 370.317 2.971 5 50 FFBA COc1cc2nc(COc3ccccc3[N+](=O)[O-])oc(=O)c2cc1OC 1139717 BJSCEFMPZLTJAD-UHFFFAOYSA-N 358.306 2.692 5 50 FFBA COC(=O)C1=CN(C(C)(C)C)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 2881124 UYLKABNEVSLAIS-UHFFFAOYSA-N 374.393 2.906 5 50 FFBA COc1cc([C@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O 36047561 CJZTWMBUCBKSKP-OAHLLOKOSA-N 350.352 2.676 5 50 FFBA O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1cccc([N+](=O)[O-])c1 2852847 QXGYVMCWQXLZCL-MRXNPFEDSA-N 361.398 2.857 5 50 FFBA O=C1[C@@H](Oc2cccnc2[N+](=O)[O-])CCN1c1ccccc1OC(F)F 115964065 MOSBZOPBYFCDTP-ZDUSSCGKSA-N 365.292 2.776 5 50 FFBA COC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 1189766 QSHUQGZPQRQIAG-UHFFFAOYSA-N 360.322 2.651 5 50 FFBA Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 822427 WRLBLWGLQQXHBP-UHFFFAOYSA-N 352.350 2.645 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 1212553 JMNAMCJDPQGZKJ-RISCZKNCSA-N 357.288 2.848 5 50 FFBA CCOC(=O)C[C@@H]1COc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 5598216 JHFVDALEAIDZSI-OAHLLOKOSA-N 370.361 2.956 5 50 FFBA CCc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 4037856 YFZKGCCMEQSCNE-UHFFFAOYSA-N 367.361 2.782 5 50 FFBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC12CC3CC(CC(C3)C1)C2 4627769 CCHBHCRFIQTQIN-UHFFFAOYSA-N 352.822 2.838 5 50 FFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccc(C(=O)O)c1 2829204 SPXBIZMSUNLNRR-BQYQJAHWSA-N 371.374 2.819 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1CN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 408425243 JYKLSOUUQUJEIX-UKRRQHHQSA-N 358.847 2.790 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 1133201 JWDWKQRLBZBAOB-NSHDSACASA-N 353.334 2.526 5 50 FFBA CCOc1ccc(C(=O)NC(=S)Nc2cc(C)ccn2)cc1[N+](=O)[O-] 1174335 ONLCRVHXXZVMIE-UHFFFAOYSA-N 360.395 2.824 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4834273 YUYISPSMVKNXOS-MNOVXSKESA-N 354.746 2.775 5 50 FFBA COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1C 1131487 FMWSAUNRHKJFMF-UHFFFAOYSA-N 352.368 2.721 5 50 FFBA Cc1ccc(O)c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 797412 SIBUOKQEHRMUIJ-UHFFFAOYSA-N 369.175 2.515 5 50 FFBA Cc1cc2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C 4795067 OKWKRNPKOVCYJC-CXUHLZMHSA-N 351.387 2.982 5 50 FFBA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1 5014264 WQTQORXDFXNORH-UHFFFAOYSA-N 355.379 2.906 5 50 FFBA O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 164206448 MBPWTFSBOUUDTE-UHFFFAOYSA-N 356.378 2.779 5 50 FFBA Cc1ccccc1Cn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 6373283 XLYKPTZOJPIPMT-UHFFFAOYSA-N 372.406 2.949 5 50 FFBA Cc1csc(N2CCN(Cc3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)n1 482678349 CIMSVFHXDOTWNE-UHFFFAOYSA-N 358.427 2.558 5 50 FFBA Cc1c(C(=O)NC(=S)Nc2ccccc2C(=O)O)cccc1[N+](=O)[O-] 2997624 YHSITHGLCCLFJO-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA O=C(c1cc([N+](=O)[O-])ccc1N1CCc2ccccc2C1)N1CCOCC1 4140380 UZSUSNRLJMMDII-UHFFFAOYSA-N 367.405 2.630 5 50 FFBA C[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 947368 YHOVPIUQSVDYHH-VIFPVBQESA-N 373.752 2.871 5 50 FFBA O=c1nc(SCc2nc3ccc([N+](=O)[O-])cc3[nH]2)[nH]c2ccccc12 5642768 MWNLBRYOHIDQKH-UHFFFAOYSA-N 353.363 3.000 5 50 FFBA O=C(c1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4132280 BSCFTVMFCQZTEB-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA COc1cc([N+](=O)[O-])c2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1 1304460 RUEQMJSFJFHIAN-UHFFFAOYSA-N 365.345 2.923 5 50 FFBA O=C(Nc1ccc(Cl)cn1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4739315 STRIFSXIYYYIQT-UHFFFAOYSA-N 362.773 2.732 5 50 FFBA O=[N+]([O-])c1cc(N[C@@H]2C[C@H](O)[C@H](O)CO2)cc(Sc2ccccc2)c1 4571265 AQFSCHZBYWUHCK-BBWFWOEESA-N 362.407 2.626 5 50 FFBA biogenic,in-vitro CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc(C)c1C 4686792 FIVJTLNIZKUVEY-VIFPVBQESA-N 366.399 2.846 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1CN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 408425241 JYKLSOUUQUJEIX-DZGCQCFKSA-N 358.847 2.790 5 50 FFBA Cc1sc2ncn3nc(C(C)(C)n4cc([N+](=O)[O-])cn4)nc3c2c1C 2808389 RCXBVXHTKRHRJZ-UHFFFAOYSA-N 357.399 2.844 5 50 FFBA O=C(COC(=O)c1cc2ccccc2oc1=O)c1ccc([N+](=O)[O-])cc1 853076 DGZDSGFNPOHLDI-UHFFFAOYSA-N 353.286 2.741 5 50 FFBA O=C(NCc1nnc(S)o1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 225578977 PPRZWUQNPKPZQK-UHFFFAOYSA-N 372.362 2.989 5 50 FFBA CCCCn1nnc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 2865914 CQSLXNMQQRCMKN-UHFFFAOYSA-N 356.342 2.894 5 50 FFBA O=C(O)c1cccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)c1 16361626 HHGFZWVOJVIELD-ALCCZGGFSA-N 369.289 2.512 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOc1ccc(Cl)cc1 2461756 ZURZFQFIJVSRJE-UHFFFAOYSA-N 356.787 2.606 5 50 FFBA Cc1sc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c(C(N)=O)c1C 2872827 RTTQPRFCXLPWPB-VIFPVBQESA-N 363.395 2.778 5 50 FFBA COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 815843 ZCSAVJRPGZHZHC-DNVCBOLYSA-N 356.378 2.871 5 50 FFBA CC[C@@H]1CCCCN1C(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 756436 VMSZQHJEPVIJKC-SNVBAGLBSA-N 359.224 2.653 5 50 FFBA Cc1nccn1-c1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])cn1 1464219291 UWCNMOGLMYUEGV-UHFFFAOYSA-N 355.329 2.804 5 50 FFBA COc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O 5028133 ZOPLBMJPCANAIR-LBPRGKRZSA-N 355.350 2.595 5 50 FFBA O=C(NC[C@H]1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2843662 FMMQTKGJDMMCJJ-QGZVFWFLSA-N 369.377 2.756 5 50 FFBA CCCCOC[C@H](O)CN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 19286097 FDXAGIZWXPMQSZ-OAHLLOKOSA-N 371.865 2.548 5 50 FFBA O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F 1066452 GBWXJXBQNOOYED-UHFFFAOYSA-N 367.283 2.982 5 50 FFBA COc1ccc(N[C@H]2CC(=O)N(c3cc([N+](=O)[O-])ccc3C)C2=O)cc1 2879105 DEDBECRSZKGNQV-HNNXBMFYSA-N 355.350 2.656 5 50 FFBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)Cc2ccccc2)c(Cl)c1 4989944 IFULSZZVFFZUKM-UHFFFAOYSA-N 369.830 2.780 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 252441095 GADHYTDTGWDBMW-KUDSHJKUSA-N 353.486 2.930 5 50 FFBA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 956668 KIPYWUZZUCRLHD-INIZCTEOSA-N 352.350 2.861 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)Nc1nccs1 1068833 VOVDBCMWGXKLHQ-LURJTMIESA-N 360.193 2.518 5 50 FFBA CCCN(C[C@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 170622702 XRYHNSRIHUJKSL-OAHLLOKOSA-N 356.444 2.873 5 50 FFBA C[C@H](C(=O)Nc1cccc(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1150576 GDJHZUVANXIYDW-SECBINFHSA-N 373.752 2.871 5 50 FFBA O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCCCCC2)C1 2786818 JSVAKABNKQIUQO-HNNXBMFYSA-N 359.426 2.850 5 50 FFBA O=C(NCCNc1ccc2cc(F)cc([N+](=O)[O-])c2n1)c1ccc(O)cc1 170601993 UAZLGTZSQAVGTG-UHFFFAOYSA-N 370.340 2.830 5 50 FFBA Cc1cc(C)cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 5019572 JABLZIFOQSQEKY-UHFFFAOYSA-N 369.421 2.939 5 50 FFBA CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])o1 1122140 PPTQFUVKBSSMME-UHFFFAOYSA-N 370.321 2.803 5 50 FFBA O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc([N+](=O)[O-])cc1O 4825384 FRYJCELSVCBHRN-UHFFFAOYSA-N 371.378 2.612 5 50 FFBA COc1ccc(-n2nc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)[n+]2[O-])cc1 4826616 JJFAVSFXVHZLIA-LBPRGKRZSA-N 355.354 2.596 5 50 FFBA O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1Nc1ccccc1OC(F)F 4757638 OSMTUMJBYCMVAM-UHFFFAOYSA-N 363.280 2.759 5 50 FFBA C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[C@@H]1O 246433123 INANOZYIXWCUGE-HFAKWTLXSA-N 355.822 2.668 5 50 FFBA CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 239174410 PZFWIEROOQOKSF-KURKYZTESA-N 351.410 2.909 5 50 FFBA Cc1cc(-n2ccnc2)ccc1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 2325741759 JKCIOICXIJKNKN-UHFFFAOYSA-N 365.393 2.931 5 50 FFBA Cc1ccc(C(=O)COC(=O)c2cc(=O)[nH]c3ccccc23)cc1[N+](=O)[O-] 8842879 XPKVJGLLQKSSSY-UHFFFAOYSA-N 366.329 2.784 5 50 FFBA COc1cc(S(=O)(=O)N2CC[C@@]3(CC[C@H](C)C3)C2)ccc1[N+](=O)[O-] 408171973 QDCFRUJQOSRMFO-BLLLJJGKSA-N 354.428 2.804 5 50 FFBA CCOC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC 4949197 AYBNPPBJLWEEST-UHFFFAOYSA-N 353.371 2.886 5 50 FFBA CNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 100272204 ABADOHGDUGWOCM-BDKUJZOCSA-N 351.362 2.668 5 50 FFBA Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 4715620 FMVOGTQSGAENHH-UHFFFAOYSA-N 370.394 2.516 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)Cc1ccccc1 797418 NKOIZMNRAAQGDI-UHFFFAOYSA-N 367.203 2.521 5 50 FFBA O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1ccc([N+](=O)[O-])cc1 2798623 MJVBBSCYWLIWIC-UHFFFAOYSA-N 370.390 2.629 5 50 FFBA Cc1ccc(OCCOCCn2cnc3ccccc3c2=O)c([N+](=O)[O-])c1 3003359 UASAZQHVKXFLPD-UHFFFAOYSA-N 369.377 2.709 5 50 FFBA O=C(c1cccc(F)c1F)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4819092 JXJMLAOEXSRGPD-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA CCN(CC)S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl 4708637 ZMZLVAJGUBHKML-UHFFFAOYSA-N 365.842 2.532 5 50 FFBA O=c1[nH]c(/C=C/c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c(=O)[nH]1 9234729 KNWBIJXVMXXDKR-MDZDMXLPSA-N 365.345 2.721 5 50 FFBA O=C(CSc1nc2cc(Cl)ccc2s1)Nc1nonc1[N+](=O)[O-] 12375121 OEXFFTALKYAMRG-UHFFFAOYSA-N 371.787 2.972 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCOc1ccccc1Cl 4985907 PPBZMFYQCKJNPW-UHFFFAOYSA-N 370.814 2.914 5 50 FFBA Cc1ccc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])c(Br)c1 1002161 LRZDLHSLVBFKDW-UHFFFAOYSA-N 353.176 2.960 5 50 FFBA O=[N+]([O-])c1cnn(C[C@H](O)CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 182601495 WNGUTOLETWWKMJ-IAGOWNOFSA-N 364.833 2.937 5 50 FFBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)OC(C)(C)OC3=O)[C@H]2C1 245324821 ACHWJVLPCCQNFU-IAQYHMDHSA-N 374.393 2.578 5 50 FFBA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2843665 FMMQTKGJDMMCJJ-KRWDZBQOSA-N 369.377 2.756 5 50 FFBA CCn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C 2776306 MBQTWFDNWYMKTA-UHFFFAOYSA-N 367.818 2.900 5 50 FFBA CCn1cc(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)n1 4185926 WXLGCCFRFVYARH-UHFFFAOYSA-N 369.175 2.835 5 50 FFBA O=C(NCCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 2325821391 LIWQICRXSNWXME-UHFFFAOYSA-N 354.288 2.851 5 50 FFBA CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1079734 GFKUNOBUIXDZTH-UHFFFAOYSA-N 363.395 2.534 5 50 FFBA O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1 13153392 HLKAEXXJVCZHGX-UHFFFAOYSA-N 369.312 2.962 5 50 FFBA CC(C)N1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1077839 KDAMWLREFUTWDR-IBGZPJMESA-N 354.362 2.810 5 50 FFBA O=[N+]([O-])c1ccc2nc(COCc3nc4ccc([N+](=O)[O-])cc4[nH]3)[nH]c2c1 71773618 ZQPXNYLXYNRFNP-UHFFFAOYSA-N 368.309 2.972 5 50 FFBA in-vitro Cc1cc(C)c([N+](=O)[O-])c(N2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)n1 225814521 RJQCQATTYDTJGI-UHFFFAOYSA-N 356.430 2.708 5 50 FFBA CCCN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3O)cc2C1=O 5049695 VKEGZPRCYFMMJC-UHFFFAOYSA-N 369.333 2.559 5 50 FFBA COc1ccccc1N1CCN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 834226 WOIRQJZFVWKCGZ-UHFFFAOYSA-N 371.393 2.574 5 50 FFBA O=C(NCC1(c2ccccc2)CCOCC1)c1cccc([N+](=O)[O-])c1O 130402242 GSABJGPEMUFPNR-UHFFFAOYSA-N 356.378 2.779 5 50 FFBA COc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)O)cc1OC 1216085 QJNQEFYGDYEBJX-VMPITWQZSA-N 372.333 2.962 5 50 FFBA CN(CCc1nccs1)C(=O)c1cc([N+](=O)[O-])ncc1Br 241588003 OYWAOXDVBWXNRH-UHFFFAOYSA-N 371.216 2.524 5 50 FFBA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 245231336 BQRURLIZQQYDGS-HQQWDMGQSA-N 359.382 2.955 5 50 FFBA COc1cc(CN2CCN(c3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1O 4980247 IXDVAXNWWNGSIG-UHFFFAOYSA-N 357.410 2.940 5 50 FFBA CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(F)F 4503669 YVVYTZZKZHKZIS-HWKANZROSA-N 369.280 2.554 5 50 FFBA CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OCC 670970 MWKJKUYFXFTTDK-OAHLLOKOSA-N 363.370 2.527 5 50 FFBA CC1=C(C(=O)O[C@@H]2CCC[C@@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4066659 MPOGNXFBWLAWGZ-DRZCJDIDSA-N 359.382 2.955 5 50 FFBA Cc1ccc(CCN(CC(F)(F)F)C(=O)c2nn(C)cc2[N+](=O)[O-])cc1 272472272 XFOAJEXVFXSXHO-UHFFFAOYSA-N 370.331 2.884 5 50 FFBA O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1occc1Br 225528629 LFIADABHGRWISS-UHFFFAOYSA-N 365.143 2.757 5 50 FFBA O=[N+]([O-])c1cnn(C[C@H](O)CN[C@H](c2ccc(Cl)cc2)C2CCC2)c1 182601512 WNGUTOLETWWKMJ-SJORKVTESA-N 364.833 2.937 5 50 FFBA O=C(OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1 52521492 SDCUMROJRGHTPN-UHFFFAOYSA-N 373.384 2.713 5 50 FFBA COc1ccc(-n2nc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)[n+]2[O-])cc1 4826620 JJFAVSFXVHZLIA-GFCCVEGCSA-N 355.354 2.596 5 50 FFBA CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n([C@H](C)CC)c1=N 100628087 ROFHMABAQPCCMX-GFCCVEGCSA-N 354.410 2.585 5 50 FFBA COc1cccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC 652165 VYAXFJDEBDZTHP-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 4694629 QDXIARCHQRYFLK-IZZDOVSWSA-N 370.770 2.848 5 50 FFBA O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2761926 SRNCGQTZYQGMSR-UHFFFAOYSA-N 370.409 2.987 5 50 FFBA COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4601112 RSCCTXHEJWOOSE-AWEZNQCLSA-N 374.349 2.558 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccnc2)c1)c1cccnc1 4628719 SZCPPYUOPPQPPX-UHFFFAOYSA-N 363.333 2.889 5 50 FFBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 952892274 MZASXJHAYGPBCD-NVXWUHKLSA-N 370.384 2.654 5 50 FFBA CC(C)(CO)[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 429725976 ZQUOKHNSQMIZIS-APWZRJJASA-N 374.437 2.684 5 50 FFBA CC(=O)Nc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 55543085 ZGZUTYANROIDLE-UHFFFAOYSA-N 354.410 2.875 5 50 FFBA O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccc(Br)cn1 6926617 WFVIOHICVACEGU-UHFFFAOYSA-N 374.582 2.631 5 50 FFBA O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1056621 VXQGNROMUHKQCT-UHFFFAOYSA-N 368.301 2.725 5 50 FFBA COc1ccccc1CNC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 669079 HUHKRQGPONYJGP-UHFFFAOYSA-N 366.377 2.778 5 50 FFBA Cc1nc(N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)ncc1[N+](=O)[O-] 294903391 HGQZZRRESJEUEB-AWEZNQCLSA-N 374.470 2.641 5 50 FFBA Cc1c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cccc1[N+](=O)[O-] 4797366 ZXCFFBURBZPIQT-UHFFFAOYSA-N 370.365 2.774 5 50 FFBA CCOC(=O)Cc1csc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)n1 45068457 ZMDRWCIVOGFIOH-UHFFFAOYSA-N 366.424 2.966 5 50 FFBA Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2Br)n1C 4625022 CKWLKJGHNMBAKZ-UHFFFAOYSA-N 354.160 2.756 5 50 FFBA O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2 2851601 BNGBZQBGJVPCBH-UHFFFAOYSA-N 360.391 2.873 5 50 FFBA Cc1cccc(C)c1OCC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1 4916704 BPDVLDPACCWOQP-UHFFFAOYSA-N 358.350 2.772 5 50 FFBA COc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1N1CCN(C)CC1 4708119 HNQPDWZBYWVSQL-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA COc1ccc(OC)c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 851116 NUUGPLCEWPBYGR-UHFFFAOYSA-N 370.317 2.971 5 50 FFBA COC(=O)CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1 1802525 ZHKTUCMMYLVJAR-UHFFFAOYSA-N 363.757 2.853 5 50 FFBA O=c1c([N+](=O)[O-])c(NCc2nc(-c3cccs3)c[nH]2)nc2ccccn12 170619608 HNFOZVLFECYWJP-UHFFFAOYSA-N 368.378 2.666 5 50 FFBA Cc1ccc(S(=O)(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 4512950 KAHLTLPTEGBRDZ-UHFFFAOYSA-N 369.830 2.947 5 50 FFBA COc1ccc([N+](=O)[O-])c2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c12 754080 PZNLUQGSTZTUSM-UHFFFAOYSA-N 365.345 2.923 5 50 FFBA COc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1OC 4581223 UIHOUMYBWWQKKH-AWEZNQCLSA-N 374.349 2.558 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)cc1[N+](=O)[O-] 881981 PJFVOCHAZFCMQD-UHFFFAOYSA-N 366.786 2.779 5 50 FFBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1195002 PKSSXEOECMCCCI-HNNXBMFYSA-N 357.322 2.656 5 50 FFBA CCCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1133911 ZVSMYRMNAXHGFA-IBGZPJMESA-N 354.362 2.812 5 50 FFBA Cc1nc(N2CCOCC2)nc(Nc2ccc(F)cc2F)c1[N+](=O)[O-] 4143213 YHAQZMZRZCFCBB-UHFFFAOYSA-N 351.313 2.552 5 50 FFBA CCOC(=O)[C@@H]1CCCCN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] 55543128 GBYDFWQXQSDEBU-ZDUSSCGKSA-N 352.387 2.530 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCO[C@@]2(CCOC2)C1 170591476 RAEGQMANDAUCEC-BONVTDFDSA-N 355.778 2.708 5 50 FFBA Cc1cc(C)n2nc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])nc2n1 4523445 LLFOTFJDRDVNEQ-UHFFFAOYSA-N 372.410 2.689 5 50 FFBA CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 797304 QIMAUJFQHOXPLO-UHFFFAOYSA-N 354.318 2.961 5 50 FFBA COc1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 1068959 GCOIFZPDHXLLFA-UHFFFAOYSA-N 369.175 2.510 5 50 FFBA CN(C[C@H](O)c1ccc(F)cc1)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C 2325760103 UUZPVRGOKLFUIP-JTQLQIEISA-N 362.283 2.656 5 50 FFBA CCCN1C=C(C(=O)OC)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1 1140918 ZCFJDMYOKWWWOY-UHFFFAOYSA-N 360.366 2.518 5 50 FFBA O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2ccccn2)CC1 225850916 DSEKMKWBKZVLKM-UHFFFAOYSA-N 361.789 2.997 5 50 FFBA C[C@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1cc([N+](=O)[O-])cn1 1432067 LCSGRBAZPVUZKV-LLVKDONJSA-N 372.410 2.628 5 50 FFBA COc1cc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 865176 OUNPRFGKKREEDF-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(CSc1nc(-c2ccncc2)n[nH]1)Nc1cccc([N+](=O)[O-])c1 5532732 GMFNPSLGYLKBLK-UHFFFAOYSA-N 356.367 2.506 5 50 FFBA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4066657 MPOGNXFBWLAWGZ-QSGSBWRWSA-N 359.382 2.955 5 50 FFBA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 4159153 VCRWXPQSGNPDIF-AWEZNQCLSA-N 372.358 2.717 5 50 FFBA CCOC(=O)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4946750 CYTYGDLVQJUYRH-UHFFFAOYSA-N 360.278 2.899 5 50 FFBA O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@H](COCc2ccccc2)C1 170618720 LHUGFIDKSJVCBR-OAHLLOKOSA-N 356.378 2.979 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 252460514 GADHYTDTGWDBMW-CLIMAXRRSA-N 353.486 2.930 5 50 FFBA biogenic CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)CC1 239667456 BQEWZZCEKPLKQB-UCLAIMLFSA-N 373.453 2.674 5 50 FFBA COC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 5050128 VCVROCUDOHHQBR-UHFFFAOYSA-N 370.770 2.836 5 50 FFBA Cc1cc([C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F 828073140 MWWJSKGALKDNRQ-ROUUACIJSA-N 374.368 2.676 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)O[C@]12CCOC(C)(C)C2 1133609 HHSBXLGQZNIDHW-ACJLOTCBSA-N 362.382 2.733 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCC(C)C)CC1 13322857 UBBBVVKMTRLAHK-UHFFFAOYSA-N 350.419 2.799 5 50 FFBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1NC(C)=O 753072 IMKRITVNVYHLOJ-UHFFFAOYSA-N 359.338 2.823 5 50 FFBA Cc1ccc(C)c(NC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1151298 DLUDDBQXJIEHFI-GFCCVEGCSA-N 367.361 2.835 5 50 FFBA COc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 2871468 MWJNXRLNVYYGTM-LBPRGKRZSA-N 355.350 2.595 5 50 FFBA CNc1cc(N2CCN(C(=O)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 4703642 FXJQDQGHDFGLAM-UHFFFAOYSA-N 354.410 2.528 5 50 FFBA O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2761522 FHPBHPMUKCSSJB-UHFFFAOYSA-N 366.333 2.821 5 50 FFBA CC(C)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4039509 IZSYVWIYRQVJAT-INIZCTEOSA-N 367.361 2.854 5 50 FFBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 101360415 RTUNLQSOBPMNDX-MWDDYTRKSA-N 354.362 2.861 5 50 FFBA CC(C)[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 154011567 PWRBFZODPJTKKC-SFHVURJKSA-N 360.458 2.607 5 50 FFBA CCOc1cc(C=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2984658 PYLTWQWPPRNEAL-UHFFFAOYSA-N 351.336 2.574 5 50 FFBA CC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 4148312 COIZBYPZNBZLPW-UHFFFAOYSA-N 363.395 2.687 5 50 FFBA CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 4913540 MAPVNLSCVDWVMY-ZDUSSCGKSA-N 364.423 2.769 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1c(=O)sc2ccccc21 1134993 HXEWMXXUSDLDEY-UHFFFAOYSA-N 359.363 2.619 5 50 FFBA COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1 4090911 YMSDCEDSXAWWLD-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1OC 4560411 PWCSMWIAZRGQSA-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(c2nccc(-c3ccccc3)n2)CC1 952892277 NBALJTDPWBJRSM-NVXWUHKLSA-N 352.394 2.515 5 50 FFBA Cc1ccccc1N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 55543598 WSUMKKWEAILRHU-UHFFFAOYSA-N 355.394 2.954 5 50 FFBA Cc1ccc2c(c1)nc1c3ccc4c(=O)oc(=O)c5ccc(c(=O)n21)c3c54 97950561 VWBFHWFMEALUDS-UHFFFAOYSA-N 354.321 2.805 5 50 FFBA COC(=O)c1cccc([N+](=O)[O-])c1-c1c(C(=O)OC)cccc1[N+](=O)[O-] 3844129 VWKXXMPVBIQLRJ-UHFFFAOYSA-N 360.278 2.743 5 50 FFBA biogenic COc1c(I)cc(Br)cc1[N+](=O)[O-] 169800548 CXOUTSIFAJBDGY-UHFFFAOYSA-N 357.929 2.971 5 50 FFBA Cc1ccc(S(=O)(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 1135921 ZKZAUNYGRBWOLG-UHFFFAOYSA-N 363.391 2.810 5 50 FFBA C[C@@H](CN(Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O 485749006 PBKRLXCVHAVLEN-AWEZNQCLSA-N 356.378 2.887 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)Nc1nccs1 1068834 VOVDBCMWGXKLHQ-ZCFIWIBFSA-N 360.193 2.518 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1O)N1CCO[C@@]2(CCc3ccccc32)C1 119411308 OUUNHHSXRCIBGR-IBGZPJMESA-N 354.362 2.615 5 50 FFBA COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 821772 PPWSTGVNXGEKHM-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA COCCNC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C 2855890 DCGBNHAKSOYYPU-UHFFFAOYSA-N 357.366 2.532 5 50 FFBA Cn1ccnc1C(=O)c1ccc(NC2(CCO)CCCC2)c([N+](=O)[O-])c1 253428289 IZKBKAQOVOHYTL-UHFFFAOYSA-N 358.398 2.666 5 50 FFBA O=C(COC(=O)c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1 825467 HGLPSNCQMBCTAF-UHFFFAOYSA-N 354.112 2.990 5 50 FFBA Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])cc1 1628065 LGWABQLVZMOIMO-UHFFFAOYSA-N 352.324 2.888 5 50 FFBA O=C(NC(=S)/N=c1/[nH]c(-c2cccc([N+](=O)[O-])c2)cs1)c1ccco1 2053680 PPLSVHYXTYKKLO-UHFFFAOYSA-N 374.403 2.860 5 50 FFBA COc1cc(OC)cc(C(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 4581228 DHIIWFGOKXLNRI-MRXNPFEDSA-N 374.349 2.558 5 50 FFBA biogenic,in-vitro CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 825841 WJAXWNATDNUXOF-QGZVFWFLSA-N 367.361 2.966 5 50 FFBA Cc1c(Br)c(C(=O)Nc2cc([N+](=O)[O-])ccc2F)nn1C 2763556 JBILLVXIRVKYQH-UHFFFAOYSA-N 357.139 2.791 5 50 FFBA COC(=O)[C@@H]1C[C@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@@H]34 239046952 GADHYTDTGWDBMW-BJWJXOPRSA-N 353.486 2.930 5 50 FFBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 13943424 OKVDJTNLUZMAGF-MDZDMXLPSA-N 351.406 2.952 5 50 FFBA CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 845685 JWJKQMQXUBCOON-INIZCTEOSA-N 352.350 2.861 5 50 FFBA CCOC(=O)N1CCN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 1158729 ZANZXARSGHSMIJ-UHFFFAOYSA-N 362.411 2.997 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1F 1429834 FRACQPPJVOJAKE-UHFFFAOYSA-N 357.139 2.640 5 50 FFBA O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 950780 BAHKJYFJWWEBLL-CQSZACIVSA-N 372.358 2.717 5 50 FFBA O=C1NCc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)cc21 495905952 LUELAAUIWJWKKS-UHFFFAOYSA-N 363.276 2.692 5 50 FFBA CCOc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2O)CC1 130318147 NWDHVAJYVVKFNS-UHFFFAOYSA-N 371.393 2.662 5 50 FFBA COc1ccc([C@H](CO)CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 838162454 JQRZOXXTASGFBZ-WKOYGUFESA-N 370.405 2.899 5 50 FFBA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 1125339 JTXCACZCFMAOAR-UHFFFAOYSA-N 374.349 2.959 5 50 FFBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1OC 4904338 RIHDLQASKNZDDH-PTNGSMBKSA-N 356.334 2.547 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 2762815 KYUHQVNQBXAICU-UHFFFAOYSA-N 358.379 2.640 5 50 FFBA C[C@@H](Nc1cc(N2CCN(CCO)CC2)ccc1[N+](=O)[O-])c1ccccc1 19680958 KSWMMSXKVYUSPZ-MRXNPFEDSA-N 370.453 2.882 5 50 FFBA O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1Cl 4832563 DIUKCHNZMBEDPM-UHFFFAOYSA-N 374.736 2.588 5 50 FFBA CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]2CCCO[C@H]21 451479054 LQWZMMAJFMIPTA-HFBAOOFYSA-N 367.833 2.980 5 50 FFBA CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 13894519 PZFWIEROOQOKSF-KSZLIROESA-N 351.410 2.909 5 50 FFBA CCOC(=O)c1ccc(OC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 2851448 JWXVGBHBMYITNG-UHFFFAOYSA-N 373.317 2.777 5 50 FFBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 828329 ARGZMVPWRZEREV-ZDUSSCGKSA-N 358.325 2.830 5 50 FFBA O=C(Cn1c(NCCCO)nc2ccccc21)c1ccc([N+](=O)[O-])cc1 2901809 GFEKXGKKHDYWBS-UHFFFAOYSA-N 354.366 2.622 5 50 FFBA Cc1ccc(F)cc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 52537612 IHDISYWBDMSBPC-UHFFFAOYSA-N 372.400 2.803 5 50 FFBA O=[N+]([O-])c1ccc([C@@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 1307397 OPZYKJXPYQSPLO-XBGMYJNYSA-N 367.449 2.959 5 50 FFBA Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccccc1[N+](=O)[O-] 2872615 MWTVJBLZWGQWFC-UHFFFAOYSA-N 356.304 2.939 5 50 FFBA O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl 104143648 MGRPETRMPPWKOG-UHFFFAOYSA-N 373.690 2.773 5 50 FFBA CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c([N+](=O)[O-])c1 247972714 VJKMRECRATZLOQ-XGJKELJWSA-N 365.455 2.740 5 50 FFBA CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1076790 JPFFICDRTSCXGY-UHFFFAOYSA-N 363.395 2.534 5 50 FFBA Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C 3904048 ALRYDYJOMIQSLN-UHFFFAOYSA-N 369.421 2.939 5 50 FFBA CC(=O)Oc1ccc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1 1228335 YASKABTXXUBIFJ-MHWRWJLKSA-N 352.302 2.865 5 50 FFBA COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 865094 VUMYGOSIHKJNFT-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NC[C@@H]1CCCO1 834567 DIQRRRASKWSQRT-JTQLQIEISA-N 353.425 2.592 5 50 FFBA O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 1427637 QVDLNTUYXVITKV-OAHLLOKOSA-N 350.330 2.926 5 50 FFBA CCO[C@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(C)cc1C2=O 4709512 CDQFNTROYLTGGV-GOSISDBHSA-N 353.334 2.988 5 50 FFBA COc1ccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)n2C)cc1 334157583 OWYCANQIEIMTDP-UHFFFAOYSA-N 366.377 2.773 5 50 FFBA O=C(c1c(F)cccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4959758 DGGGZADENCYBGS-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA COc1cc(CCO)cc(OC)c1OCCOc1cccc([N+](=O)[O-])c1 225655198 DDGCOSJNIKCRJB-UHFFFAOYSA-N 363.366 2.605 5 50 FFBA C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 248133023 ZINVDDQTRNQZSD-OZTPJHRESA-N 363.414 2.663 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(F)c1 1429856 OMVHGLDKNJRYQZ-UHFFFAOYSA-N 357.139 2.640 5 50 FFBA O=C(Nc1ccncc1)c1cc(C(=O)Nc2ccncc2)cc([N+](=O)[O-])c1 851636 OJGWZHQQMRONMV-UHFFFAOYSA-N 363.333 2.889 5 50 FFBA Cc1cccc(N2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)c1 1059189 SJVPWZTYFQKEPO-OAHLLOKOSA-N 354.362 3.000 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccccc1)C1CCNCC1 725372912 CIYFFDXJXFCUOX-UHFFFAOYSA-N 361.423 2.542 5 50 FFBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccccc2)CC1 4750298 XXJSKDGDYGAJDD-HNNXBMFYSA-N 355.394 2.711 5 50 FFBA O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccccc1 1427636 QVDLNTUYXVITKV-HNNXBMFYSA-N 350.330 2.926 5 50 FFBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 4158831 IORLNLAOSGDJDG-UHFFFAOYSA-N 353.444 2.760 5 50 FFBA Cc1ccc(OCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4833807 JDAVQUCJHNRYRL-UHFFFAOYSA-N 350.396 2.569 5 50 FFBA COc1ccc(C2=[N+]([O-])[C@](C)(c3cccc([N+](=O)[O-])c3)N(O)[C@H]2C)cc1 4833412 KZWRWRMXTOTDJZ-KPZWWZAWSA-N 357.366 2.869 5 50 FFBA Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1C1CC1 7235595 TYHWKBFSCDIXCE-UHFFFAOYSA-N 367.818 2.985 5 50 FFBA CN1C=CC(C(=O)NCCC[N+](C)(C)Cc2ccccc2)=C/C1=C\N=O 135996236 QAIZYWSAILKJQP-XDJHFCHBSA-O 355.462 2.763 5 50 FFBA COc1ccc(NC(=O)c2nc(C)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1 1397428 FJVBGQNYCHZKSI-UHFFFAOYSA-N 353.338 2.745 5 50 FFBA O=C(CCC1CCCC1)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 2765315 UCFFGQHQRAPVFS-OAHLLOKOSA-N 368.455 2.949 5 50 FFBA O=[N+]([O-])c1ccc2c3c1sc1ccccc1c3nn2CCNCCO 34124236 YRBHDOIHNZATNU-UHFFFAOYSA-N 356.407 2.894 5 50 FFBA Cc1ccc(OCC(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 19790074 HEHWPJJECDMNTO-UHFFFAOYSA-N 369.421 2.626 5 50 FFBA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc([N+](=O)[O-])cc1 1226952 PHTAMBMUQWHXLX-OAHLLOKOSA-N 356.334 2.558 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ccc([N+](=O)[O-])cc1 100103788 OUYHHVXCWZAPMH-INIZCTEOSA-N 360.366 2.566 5 50 FFBA Cc1cc(C)n(C(=O)[C@@H](C)n2nc([N+](=O)[O-])c(Br)c2C)n1 1070880 SPOUKAGICWHNJR-SECBINFHSA-N 356.180 2.577 5 50 FFBA Cc1nn(CCc2nnc(S)n2Cc2ccccc2)c(C)c1[N+](=O)[O-] 5433625 OMSNSKWKSRBRAT-UHFFFAOYSA-N 358.427 2.579 5 50 FFBA COc1ccc(OC)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1 5550087 AFGVXSQAYKERLY-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA CCCN(C[C@@H]1CCCCO1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 170622699 XRYHNSRIHUJKSL-HNNXBMFYSA-N 356.444 2.873 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N(C)C1CCCCC1 826479 LNLGGHUMQUQBCU-UHFFFAOYSA-N 359.224 2.653 5 50 FFBA CCOC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C2CCCC2)c1=N 100662470 NRFRKGCYESXEBH-UHFFFAOYSA-N 366.421 2.729 5 50 FFBA Cc1cc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc2n1 1423681 CNDCJFZFIJPIIM-UHFFFAOYSA-N 353.382 2.581 5 50 FFBA COc1cccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 5028129 HBRDOGLWOVYKGX-LBPRGKRZSA-N 355.350 2.595 5 50 FFBA CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4739994 VUOQXWIHMKZMHH-UHFFFAOYSA-N 363.395 2.534 5 50 FFBA CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O 4776430 AHXNEKPTTGPJSV-KRWDZBQOSA-N 364.361 2.592 5 50 FFBA CCOC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 1207177 MYASFEVJZGISNQ-UHFFFAOYSA-N 372.333 2.810 5 50 FFBA Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 4706771 SLBFRUFFIQGJBA-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA C[C@@H]1c2cccn2CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 225832616 GXGXPJNUBPOMHH-SECBINFHSA-N 373.793 2.954 5 50 FFBA C[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C 175302042 SLLJWKFGKWYTJX-DTWKUNHWSA-N 363.233 2.776 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1CN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 408425244 JYKLSOUUQUJEIX-ZFWWWQNUSA-N 358.847 2.790 5 50 FFBA COc1cc(CN2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC 4977823 GERMEDWQKFHKOX-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)n1 655536 GODVUNFIBOEBJP-UHFFFAOYSA-N 368.397 2.925 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 252441096 GADHYTDTGWDBMW-MRVZBLCWSA-N 353.486 2.930 5 50 FFBA Cc1ccc[n+](C2=NC(=O)S/C2=C/NNc2ccc([N+](=O)[O-])cc2)c1 38191467 FKDCKFZJYVRFTF-UHFFFAOYSA-O 356.387 2.762 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1CN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 408425242 JYKLSOUUQUJEIX-HIFRSBDPSA-N 358.847 2.790 5 50 FFBA Cc1ccc(S(=O)(=O)Nc2cccc(C(C)(C)O)c2)cc1[N+](=O)[O-] 170610527 WLNDMAMQKWRRIZ-UHFFFAOYSA-N 350.396 2.931 5 50 FFBA Cn1nc([N+](=O)[O-])nc1Sc1nn(-c2ccccc2)c(=S)s1 2812647 GTWAUJKYNVAJQD-UHFFFAOYSA-N 352.426 2.851 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(c1ccccc1)C1CSC1 4857135 JDRBTGHKLURGKX-UHFFFAOYSA-N 350.421 2.906 5 50 FFBA C[C@H](CNC(=O)OC(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 225388743 ITRHXZXQXQJAKR-CQSZACIVSA-N 364.446 2.630 5 50 FFBA CC(C)c1ncc(Cl)c(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1 225528792 IIRSTVWDPHXOEM-UHFFFAOYSA-N 374.788 2.968 5 50 FFBA Cc1cc(OCc2nnc(S)n2C[C@H]2CCCO2)ccc1[N+](=O)[O-] 17072693 GNJDQPIBRWZMTF-GFCCVEGCSA-N 350.400 2.541 5 50 FFBA COc1cc(N2CCN(c3cc(C4CC4)n[nH]3)CC2)c(F)cc1[N+](=O)[O-] 302480987 XRHLHYOQRPWMCQ-UHFFFAOYSA-N 361.377 2.670 5 50 FFBA COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 870115134 BOGBHKBMJJQSPG-QGZVFWFLSA-N 357.366 2.521 5 50 FFBA CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c([N+](=O)[O-])c1 247972711 VJKMRECRATZLOQ-QPVMMRRFSA-N 365.455 2.740 5 50 FFBA COC(=O)c1ccc(Cn2cc(C(F)(F)F)cc([N+](=O)[O-])c2=O)cc1 1400103 VQXUQVFAAXKZLR-UHFFFAOYSA-N 356.256 2.610 5 50 FFBA COc1ccc(C=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 32919311 QOWWWBHGGSQJQJ-UHFFFAOYSA-N 355.394 2.738 5 50 FFBA CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC 670969 MWKJKUYFXFTTDK-HNNXBMFYSA-N 363.370 2.527 5 50 FFBA COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 3880232 WFKKLTZGUVSXFJ-UHFFFAOYSA-N 358.354 2.838 5 50 FFBA O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)c2cccc3c2n(c1=O)CCC3 100326545 XDWLNWZNNIPUOC-UHFFFAOYSA-N 365.345 2.814 5 50 FFBA O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 865188 IMEHRNXVSBPIER-UHFFFAOYSA-N 355.394 2.641 5 50 FFBA Cc1cc(C(=O)NC(=S)Nc2ccccc2C(=O)O)ccc1[N+](=O)[O-] 2832592 ZNJKLBCNAYOFLV-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])[C@@H]1C 175302026 SLLJWKFGKWYTJX-RKDXNWHRSA-N 363.233 2.776 5 50 FFBA CC[C@H]1CN2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Br 301598453 TYIIMYGVEGJWSE-WDEREUQCSA-N 355.236 2.815 5 50 FFBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 4090633 MXVXCWKKMIMFFZ-UHFFFAOYSA-N 368.437 2.918 5 50 FFBA O=C(CCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 2994371 DIEKHGHAVYJGCT-UHFFFAOYSA-N 374.324 2.879 5 50 FFBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 5049725 HEOHBUDHTPRGFE-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA CCOc1ccccc1Nc1c([N+](=O)[O-])nn(-c2ccc(OC)cc2)[n+]1[O-] 4758057 CADKTFJZPHOURM-UHFFFAOYSA-N 371.353 2.565 5 50 FFBA O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCCN(CC(F)(F)F)C3)cc2N1 253426855 BGIVMSSWMCVAHP-LLVKDONJSA-N 372.347 2.918 5 50 FFBA CN1CCC(N(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 4063608 ATRGVDCWSKRJFG-UHFFFAOYSA-N 360.458 2.751 5 50 FFBA O=C(CCC1CCCC1)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 2765316 UCFFGQHQRAPVFS-HNNXBMFYSA-N 368.455 2.949 5 50 FFBA NC[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 170048446 GYPUTTODMIKSDW-YPMHNXCESA-N 359.348 2.790 5 50 FFBA O=C(OCc1cc(F)cc(F)c1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 782248129 XEOHRAWNAQOVSA-UHFFFAOYSA-N 360.276 2.811 5 50 FFBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 15345317 BXKHMHZEBAUFHU-ZHACJKMWSA-N 351.406 2.952 5 50 FFBA COc1ccc([C@@H](CO)CNC(=O)/C=C(\C)c2ccc([N+](=O)[O-])cc2)cc1 838162451 JQRZOXXTASGFBZ-GWKQRERASA-N 370.405 2.899 5 50 FFBA COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 4601135 RZLMHMXRTKGMJM-CQSZACIVSA-N 374.349 2.558 5 50 FFBA O=C(NC1CCCCC1)c1nc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1 8683310 ZEOLQVBAXYCROP-UHFFFAOYSA-N 357.370 2.633 5 50 FFBA O=C(Nc1cc([N+](=O)[O-])ccc1OC(F)F)N1CCOC2(CCC2)C1 159469868 BVMIMQAORNPTJX-UHFFFAOYSA-N 357.313 2.983 5 50 FFBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCCOc2ccccc2)c1 4844778 ODILYHRPIZZMJX-UHFFFAOYSA-N 356.787 2.606 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccccc2)CC1 4750538 XAASGHUVBZPOLC-UHFFFAOYSA-N 354.410 2.987 5 50 FFBA CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)c1ccc(C(F)(F)F)nn1 408516035 FPBMXYDLEYHPCR-UHFFFAOYSA-N 369.303 2.746 5 50 FFBA Cn1cnc([N+](=O)[O-])c1Sc1ncnc2c1ncn2Cc1ccccc1 716536 XGWNOSOHTMKDCK-UHFFFAOYSA-N 367.394 2.668 5 50 FFBA COC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1173196 DDQSCNDAODCPSN-UHFFFAOYSA-N 373.390 2.817 5 50 FFBA Cc1ccc(OCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 19789402 JFCMVSHSEPODEA-UHFFFAOYSA-N 369.421 2.626 5 50 FFBA CCCN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21 1051963 VGFOBZZATXMFBE-IBGZPJMESA-N 354.362 2.812 5 50 FFBA O=C(NCc1cccs1)c1cc([N+](=O)[O-])nn1Cc1ccccc1F 4772573 VFXFKJPFSVHKBG-UHFFFAOYSA-N 360.370 2.970 5 50 FFBA CN(C)C(=O)N[C@H](Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4531850 HVANRYOBXAAFEF-VIFPVBQESA-N 355.609 2.974 5 50 FFBA O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1O 16266229 DZTFGCJGJWKJHR-DTWKUNHWSA-N 357.149 2.976 5 50 FFBA O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1c1cc([N+](=O)[O-])cc(Cl)c1O 100082605 DZTFGCJGJWKJHR-RKDXNWHRSA-N 357.149 2.976 5 50 FFBA COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc([N+](=O)[O-])cc2)N1 34792226 PMTFLAWFQMHLPS-IAGOWNOFSA-N 351.362 2.853 5 50 FFBA COc1ccc([N+](=O)[O-])cc1CSc1nnnn1Cc1ccccc1 1067514 JGJOQRDFBSMVMM-UHFFFAOYSA-N 357.395 2.931 5 50 FFBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)oc12 1061195 ZGSQUCDIWPUGLR-QWRGUYRKSA-N 360.366 2.828 5 50 FFBA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1cccc([N+](=O)[O-])c1)C2=O 4776431 AHXNEKPTTGPJSV-QGZVFWFLSA-N 364.361 2.592 5 50 FFBA COC(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 1068813 ZIJUNERBPHTSFF-UHFFFAOYSA-N 360.391 2.790 5 50 FFBA COc1cc(C(=O)N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 851734 KWBGMKHJLMAMSJ-UHFFFAOYSA-N 371.393 2.574 5 50 FFBA CC(C)c1ccc([C@@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 123747901 HTXUOBCJZKOCTN-KRWDZBQOSA-N 363.439 2.697 5 50 FFBA COc1ccc(-c2nnc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)o2)cc1 1323938785 PKGRITWUUJFDSD-UHFFFAOYSA-N 364.321 2.901 5 50 FFBA COc1ccccc1N1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 55543279 ZTEIYXMVCAZBAL-UHFFFAOYSA-N 371.393 2.654 5 50 FFBA COc1cccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC 5051455 DYMMILBRMHARMV-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 4703734 FRSCLLJZLJROBY-UHFFFAOYSA-N 370.409 2.750 5 50 FFBA Cc1ccc(C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4749379 CTPBKHJTCYHDFF-UHFFFAOYSA-N 369.421 2.939 5 50 FFBA COc1cccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3C)CCO2)c1 130209018 OCORAAVETASGGR-KRWDZBQOSA-N 357.366 2.521 5 50 FFBA COc1ccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)n(C)c2=N)cc1 334157618 UEDNHHHRZARDTA-UHFFFAOYSA-N 366.377 2.773 5 50 FFBA CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2727625 JQUAWURUNNGGIN-UHFFFAOYSA-N 356.429 2.836 5 50 FFBA Cc1nn(CC(=O)Nc2ccc(Br)cc2F)c(C)c1[N+](=O)[O-] 2764055 MEDBMMQHRHQURG-UHFFFAOYSA-N 371.166 2.948 5 50 FFBA O=[N+]([O-])c1cccc(-c2csc(N3CCN(c4ncccn4)CC3)n2)c1 1058996 VEFTUWLYPMSCLG-UHFFFAOYSA-N 368.422 2.835 5 50 FFBA COc1ccc(OC)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2781346 SMFJOJSHMQWUBA-LLVKDONJSA-N 366.395 2.652 5 50 FFBA CCOC(=O)C(C(=O)OCC)c1nc(Cl)c([N+](=O)[O-])cc1Cl 36440479 HCNFCDJVZJGAHR-UHFFFAOYSA-N 351.142 2.506 5 50 FFBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 1227616 YBNXHYNHRCFQBN-UHFFFAOYSA-N 355.394 2.641 5 50 FFBA COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc(C(=O)OC)c1 4600591 HVRTWDHQPUCLGO-UHFFFAOYSA-N 372.333 2.729 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 239415382 UGQUNBCGFMJVEJ-HPBDAGMYSA-N 362.341 2.554 5 50 FFBA CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 2091828 LEBJOZALAHOUEP-UHFFFAOYSA-N 355.357 2.719 5 50 FFBA Cc1nnc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nn12 2850417 OERUKUITIZTOHQ-UHFFFAOYSA-N 370.350 2.915 5 50 FFBA CC(C)(CO)[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 429725980 ZQUOKHNSQMIZIS-QFBILLFUSA-N 374.437 2.684 5 50 FFBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)NCCc1ccccc1 15987791 QPMOIIUXQNCCII-UHFFFAOYSA-N 356.407 2.922 5 50 FFBA COc1cc2c(cc1OC)[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)CC(=O)N2 1440251 ATBNZGVSEHYHFM-VIFPVBQESA-N 372.333 2.815 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 365674205 KPOOMIFNIJEZGI-IBGZPJMESA-N 374.368 2.507 5 50 FFBA COc1cccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3C)CCO2)c1 130209210 OCORAAVETASGGR-QGZVFWFLSA-N 357.366 2.521 5 50 FFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1 1427904 JOACQBGALQTWTC-CQSZACIVSA-N 350.330 2.888 5 50 FFBA CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2C1=O 4865359 CQPLRBOZGSQXAT-UHFFFAOYSA-N 353.334 2.771 5 50 FFBA Cc1cccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 5090773 SSNNIEJOWLQBMR-UHFFFAOYSA-N 355.394 2.631 5 50 FFBA CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 1123400 SHDNVUAIMVMEMV-UHFFFAOYSA-N 360.366 2.518 5 50 FFBA O=C(O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 4641437 YSMSWDDIASQMJQ-UHFFFAOYSA-N 355.755 2.920 5 50 FFBA Cc1cc2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3c2cc1C 4579325 CJKBSINIJQMRSN-CXUHLZMHSA-N 351.387 2.982 5 50 FFBA COC(=O)c1ccc(-n2nnnc2SCc2cccc([N+](=O)[O-])c2)cc1 1155340 WKQFLMOAGWVXOG-UHFFFAOYSA-N 371.378 2.649 5 50 FFBA CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCC2)c1=N 100627852 BANGRHOAXNTBCA-UHFFFAOYSA-N 366.421 2.729 5 50 FFBA COc1ccc(OC)c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)c1 1432081 HGHOTAFSXHIFMZ-UHFFFAOYSA-N 362.386 2.844 5 50 FFBA CCOC(=O)c1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])cc1 754532 QTQSUXZYHKUBQQ-UHFFFAOYSA-N 358.306 2.722 5 50 FFBA COC(=O)c1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 1157126 WOICTZPCOYIIQD-UHFFFAOYSA-N 359.363 2.508 5 50 FFBA COc1ccc(C2=[N+]([O-])[C@@](C)(c3cccc([N+](=O)[O-])c3)N(O)[C@@H]2C)cc1 2994301 KZWRWRMXTOTDJZ-XIKOKIGWSA-N 357.366 2.869 5 50 FFBA CC1(C)Cc2c(cnn2-c2ccccc2F)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 952893192 SQICXWCAWWMTOU-CZUORRHYSA-N 372.400 2.588 5 50 FFBA O=[N+]([O-])c1ccccc1NCCNS(=O)(=O)c1ccc(Cl)cc1 4687604 OSYJXEWNKBBMFG-UHFFFAOYSA-N 355.803 2.639 5 50 FFBA C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1NC(=O)OC(C)(C)C 170614767 GYHCJHVMWUHBGW-NXEZZACHSA-N 355.416 2.642 5 50 FFBA Cc1cc(C(=O)Nc2ncn(Cc3ccc(F)cc3)n2)ccc1[N+](=O)[O-] 1053743 DSMXLKUNUJBTMG-UHFFFAOYSA-N 355.329 2.934 5 50 FFBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2N(C)C)c1Cl 225401018 JWVPXCCFARHMHC-UHFFFAOYSA-N 370.818 2.818 5 50 FFBA COc1ccc(N2C3=[N+](CCCC3)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)cc1 17147231 BUAGDZXBZRLSJI-HXUWFJFHSA-N 368.413 2.864 5 50 FFBA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 971851 QACSNUZIQKOCBL-UHFFFAOYSA-N 368.393 2.516 5 50 FFBA C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[C@@H]1O 159533726 INANOZYIXWCUGE-ZETOZRRWSA-N 355.822 2.668 5 50 FFBA O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 19863001 BAHKJYFJWWEBLL-AWEZNQCLSA-N 372.358 2.717 5 50 FFBA Cc1nn(CC(=O)NCc2cc3cc(Cl)ccc3[nH]2)c(C)c1[N+](=O)[O-] 2760647 RXIWAMMDFJTJEX-UHFFFAOYSA-N 361.789 2.859 5 50 FFBA NC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCCC2 2761038 WONGNDCFXIIJFL-FNORWQNLSA-N 361.379 2.879 5 50 FFBA COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4973910 CUTSJFYTNBXGGV-UHFFFAOYSA-N 370.770 2.836 5 50 FFBA Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1 1156818 FQYZPOAJBQYAJO-UHFFFAOYSA-N 372.406 2.712 5 50 FFBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 4599780 NPTSMLTUZJVQKA-UHFFFAOYSA-N 352.350 2.698 5 50 FFBA CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 72481736 RASQJXBIQRHSRB-UHFFFAOYSA-N 369.805 2.941 5 50 FFBA in-vitro O=[N+]([O-])c1ccc(S(=O)(=O)N(c2ccccc2)C2CCNCC2)cc1 725374362 JPXPVZYBFCXDJM-UHFFFAOYSA-N 361.423 2.542 5 50 FFBA Cc1cc(C)c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3c2c1 676925 FBWXKJIGXMPRRK-DHDCSXOGSA-N 351.387 2.982 5 50 FFBA O=C(O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20255007 NJTHPOSQGFJTDP-UHFFFAOYSA-N 356.743 2.747 5 50 FFBA Cn1c(=O)n(C)c2cc3c(cc21)nc1c2cccc4cccc(c(=O)n31)c42 783631 SWQFKDAVOUQPIF-UHFFFAOYSA-N 354.369 2.782 5 50 FFBA COC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1191791 PTSXPURLSYCTRR-UHFFFAOYSA-N 360.322 2.651 5 50 FFBA biogenic O=C(O)C1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 3883360 MTADAWJHMIIAAP-UHFFFAOYSA-N 363.248 2.823 5 50 FFBA COc1ccc(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])cc1 5318688 UGJUZNJZBDJLGZ-UHFFFAOYSA-N 358.357 2.812 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 1200165 AEOUTNUSLTVHQN-UHFFFAOYSA-N 373.796 2.846 5 50 FFBA COc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2989045 SHITZLDVCVIBAF-UHFFFAOYSA-N 371.345 2.992 5 50 FFBA Cc1cc([N+](=O)[O-])nn1CCCc1nc(-c2ccc3c(c2)OCO3)no1 4753329 USTVDOVRTKBVQQ-UHFFFAOYSA-N 357.326 2.511 5 50 FFBA Cc1cc([C@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F 828073138 MWWJSKGALKDNRQ-MSOLQXFVSA-N 374.368 2.676 5 50 FFBA NC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 799354 MMBDOZYLAJKSRI-UHFFFAOYSA-N 359.407 2.815 5 50 FFBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 1120463 VQAHPNAXXUEGTR-UHFFFAOYSA-N 352.368 2.721 5 50 FFBA CN(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 408518183 WGURNPHALYSAHF-ZDUSSCGKSA-N 364.833 2.662 5 50 FFBA C[C@H](Nc1ccc(C(=O)NCCCCN)cc1[N+](=O)[O-])c1ccccn1 262243791 PGYPBXSTQGBWPY-ZDUSSCGKSA-N 357.414 2.632 5 50 FFBA COc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4125053 ASDSPKOBITTWIE-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA COc1ccc([N+](=O)[O-])c(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 170664053 AKLMTCGIMJQNNS-VQTJNVASSA-N 369.421 2.693 5 50 FFBA Cc1n(Cc2ccc([N+](=O)[O-])cc2)cc[n+]1Cc1ccc([N+](=O)[O-])cc1 16363240 FFWBCNBAOBCIRY-UHFFFAOYSA-N 353.358 2.997 5 50 FFBA Cc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1 4997416 QGVHRBIKUNCXEQ-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 971850 PNTNSXHRNIJXMP-UHFFFAOYSA-N 368.393 2.516 5 50 FFBA COc1cc(Br)c(I)c([N+](=O)[O-])c1 67799987 APJYPPWBWCHKCJ-UHFFFAOYSA-N 357.929 2.971 5 50 FFBA C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 433536619 ALSXFBROZUFGOS-IFXJQAMLSA-N 369.421 2.882 5 50 FFBA Cc1cc([C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F 828073141 MWWJSKGALKDNRQ-ZWKOTPCHSA-N 374.368 2.676 5 50 FFBA Cc1cc(Br)ccc1NC(=O)Cn1nc([N+](=O)[O-])cc1C 1428828 HHBWCXIDVZVIOG-UHFFFAOYSA-N 353.176 2.809 5 50 FFBA Cc1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 3903017 VJQCJIJCVYKEEQ-NSHDSACASA-N 353.334 2.526 5 50 FFBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 261494122 QIYZSWCPFRTMFX-UHFFFAOYSA-N 352.347 2.560 5 50 FFBA CCOC(=O)CCN(C(=O)c1ccc(NC)c([N+](=O)[O-])c1)c1ccccn1 22011559 FYSFQBXGCDIVMA-UHFFFAOYSA-N 372.381 2.632 5 50 FFBA in-vitro CCCCn1nnc(C(=O)N2CCCC2)c1-c1cc([N+](=O)[O-])ccc1O 22779590 FERUYDOZEHQODA-UHFFFAOYSA-N 359.386 2.595 5 50 FFBA O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CCCC1 2799174 SMSAGUIHGRTNGW-UHFFFAOYSA-N 350.762 2.717 5 50 FFBA O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCOC2(CCCCCC2)C1 408144585 BGXWFLSVLMCYTL-UHFFFAOYSA-N 362.382 2.889 5 50 FFBA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 956667 KIPYWUZZUCRLHD-MRXNPFEDSA-N 352.350 2.861 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC1Cc2ccccc2C1 186370977 RTNXPHBBTRGSDT-UHFFFAOYSA-N 352.799 2.694 5 50 FFBA COc1ccccc1N1C[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1=O 5028132 ZOPLBMJPCANAIR-GFCCVEGCSA-N 355.350 2.595 5 50 FFBA COc1cccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])c1 4707163 WHKNKJABNGBMGT-UHFFFAOYSA-N 371.353 2.720 5 50 FFBA CN(C)n1ccc2nc3ccn(CCC4=CCCCC4)c(=O)c3cc2c1=O 40398679 ZMKRNCCLFBNIKX-UHFFFAOYSA-N 364.449 2.800 5 50 FFBA COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc(C(=O)OC)c1 994228 WIVUEIFIRULVQH-UHFFFAOYSA-N 372.333 2.729 5 50 FFBA CC(C)c1ccc([C@H](N)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 123747638 HTXUOBCJZKOCTN-QGZVFWFLSA-N 363.439 2.697 5 50 FFBA O=C(Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cc2ccccc2oc1=O 4810737 AHNBCWQGYNNGIR-UHFFFAOYSA-N 354.274 2.682 5 50 FFBA COc1cc(S(=O)(=O)N2CC[C@]3(CC[C@@H](C)C3)C2)ccc1[N+](=O)[O-] 408171976 QDCFRUJQOSRMFO-WBMJQRKESA-N 354.428 2.804 5 50 FFBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4543701 SHUCPGOHJQGCLO-UHFFFAOYSA-N 356.382 2.725 5 50 FFBA CC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1180947 AJTKWGXEZACBAJ-UHFFFAOYSA-N 372.406 2.988 5 50 FFBA COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 55543172 CBJDCNBQAKGPGB-UHFFFAOYSA-N 357.410 2.934 5 50 FFBA CCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 845887 HWKFJSRQQSFMRN-CQSZACIVSA-N 359.304 2.777 5 50 FFBA CN1CCc2c(sc3c2C(=O)N[C@@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 4854423 PXRUSSQOZFNDPD-IJVDHGTGSA-N 370.434 2.839 5 50 FFBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1 55491787 YLJPMKACPODZQU-UHFFFAOYSA-N 355.394 2.704 5 50 FFBA COC(=O)N1CCC([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 170600790 CNGHCPGQXMQKCP-SECBINFHSA-N 355.416 2.561 5 50 FFBA COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 754076 DCMPATFEQUAXMJ-UHFFFAOYSA-N 360.322 2.651 5 50 FFBA CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23 3825292 CUNDRHORZHFPLY-UHFFFAOYSA-N 350.422 2.898 5 50 FFBA in-man Cc1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3O)CCO2)ccc1F 135266477 KGIJFYYBDHHTEZ-INIZCTEOSA-N 360.341 2.962 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(CCCc2ccccc2)CC1 5022461 HOFJQZTUSVUOPF-UHFFFAOYSA-N 353.422 2.985 5 50 FFBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 248380501 QGGLTQNMBCTCLA-MNXVOIDGSA-N 354.428 2.706 5 50 FFBA CC(=O)Nc1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 807606 AZRHAVSWGYNMQY-UHFFFAOYSA-N 368.301 2.879 5 50 FFBA CN1C=C(C(=O)NCCC[N+](C)(C)Cc2ccccc2)C=C/C1=C\N=O 137176189 MRICCXXBEVJJST-XMHGGMMESA-O 355.462 2.763 5 50 FFBA Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2C=CS(=O)(=O)C2)cc1 3173597 NLYIDGYGOJUKMH-KRWDZBQOSA-N 372.402 2.861 5 50 FFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 4043755 BGHLTIAWFVXZAD-NSHDSACASA-N 353.334 2.526 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 252441094 GADHYTDTGWDBMW-GPZGLOMYSA-N 353.486 2.930 5 50 FFBA CN(C)C(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3130611 KLSOBTYDYWNKQL-VIFPVBQESA-N 355.609 2.974 5 50 FFBA Cc1cc([C@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)CCO2)ccc1F 828073139 MWWJSKGALKDNRQ-QZTJIDSGSA-N 374.368 2.676 5 50 FFBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1 6827394 NHBUUPNPVLQJDK-UHFFFAOYSA-N 370.413 2.702 5 50 FFBA CCN1CCN(Cn2nnc3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 1078362847 VVJQHWQANUYNNR-SFHVURJKSA-N 352.398 2.633 5 50 FFBA Cn1nc([N+](=O)[O-])nc1Oc1ccc(C(=O)OCc2ccccc2)cc1 1062902 ABJGGBUEMYASRO-UHFFFAOYSA-N 354.322 2.873 5 50 FFBA COc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C2)c([N+](=O)[O-])c1 777812517 BYZFVERVXHIRAE-UHFFFAOYSA-N 360.391 2.691 5 50 FFBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 820537 KOFRKMPTJWTECN-KRWDZBQOSA-N 367.361 2.966 5 50 FFBA COc1ccc(C2=[N+]([O-])[C@@](C)(c3cccc([N+](=O)[O-])c3)N(O)[C@H]2C)cc1 4833410 KZWRWRMXTOTDJZ-SGTLLEGYSA-N 357.366 2.869 5 50 FFBA CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(=O)OC)c2c1N 2801174 GSLNSXRNEUHTCZ-UHFFFAOYSA-N 370.408 2.834 5 50 FFBA Cc1cc2c(=O)c3ccccc3c(=O)c2c2c(=O)c3ccccc3c(=O)c12 43214902 UEPBERKGNRZASV-UHFFFAOYSA-N 352.345 2.924 5 50 FFBA O=C(c1cccc(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 5033637 QKWOMBIXUCUUJF-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA CC(C)(C)OC(=O)N1C[C@H](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)O 4241417 MPEJCVTWUUJXPQ-OCCSQVGLSA-N 350.371 2.848 5 50 FFBA COc1cc(/C=C2\SC(=N)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 23128334 WCZDGRYMKSPZLK-QPEQYQDCSA-N 372.362 2.929 5 50 FFBA COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4580579 LUFNQFRCYVVWIL-HNNXBMFYSA-N 358.350 2.858 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4949486 DHZWDJJUPAFQHR-MNOVXSKESA-N 354.746 2.775 5 50 FFBA COC(=O)[C@@H]1C[C@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 239046955 GADHYTDTGWDBMW-DBQASJIDSA-N 353.486 2.930 5 50 FFBA CN(C)C1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4663455 PZFWIEROOQOKSF-BZSNNMDCSA-N 351.410 2.909 5 50 FFBA COc1ccc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3C)CCO2)cc1 870105487 GXXWJSMZUYEKDB-KRWDZBQOSA-N 357.366 2.521 5 50 FFBA CN(C)c1ccc(C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 3896959 ZVDVILJUONZMJX-UHFFFAOYSA-N 358.354 2.866 5 50 FFBA biogenic COc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 4895971 PDJJMGDWUYGJHS-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA CN1C=C(C(=O)NCCC[N+](C)(C)Cc2ccccc2)C=CC1=CN=O 1848972858 MRICCXXBEVJJST-UHFFFAOYSA-O 355.462 2.763 5 50 FFBA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc([N+](=O)[O-])c1 853678 HJVVJXOJCQJLEC-OAHLLOKOSA-N 356.334 2.558 5 50 FFBA O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1 4998944 DQFMJNQKUOADQD-UHFFFAOYSA-N 352.144 2.770 5 50 FFBA COc1cccc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 20274201 IVVOJLJNYYBAOM-UHFFFAOYSA-N 370.409 2.953 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 1049091 GDXXJINLJNCHJR-ZDUSSCGKSA-N 369.377 2.903 5 50 FFBA O=C(Nc1ccc(CCO)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 124389591 HESAXMOJBLUVGG-UHFFFAOYSA-N 352.350 2.568 5 50 FFBA O=[N+]([O-])c1cccc(NC(=S)NCCn2cc(Br)cn2)c1 1121620 SBUYLHFTIRCDMJ-UHFFFAOYSA-N 370.232 2.540 5 50 FFBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 4978280 CUWVPDCPBIMKTB-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA O=c1c2c3c(sc2nc2c4ccccc4c(NCCO)nn12)CCCC3 2679227 ONGPFQBAWCTHGQ-UHFFFAOYSA-N 366.446 2.740 5 50 FFBA O=[N+]([O-])c1cc(N[C@@H]2C[C@H](O)[C@@H](O)CO2)cc(Sc2ccccc2)c1 15240729 AQFSCHZBYWUHCK-ULQDDVLXSA-N 362.407 2.626 5 50 FFBA biogenic,in-vitro Cc1sc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(N)=O)c1C 2897970 ITVCZMHJWYYTMJ-UHFFFAOYSA-N 364.339 2.533 5 50 FFBA COc1cc([N+](=O)[O-])cc2c(CCN3C(=O)c4ccccc4C3=O)c[nH]c12 754071 YXNBRHLMSDMDDH-UHFFFAOYSA-N 365.345 2.923 5 50 FFBA COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1195064 MOOQUSCZFFANCL-OAHLLOKOSA-N 373.390 2.821 5 50 FFBA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 4115952 LCYXUFMXQYWZEG-MRXNPFEDSA-N 354.366 2.973 5 50 FFBA CCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4125034 NRWOQEPOLCRNID-UHFFFAOYSA-N 354.410 2.989 5 50 FFBA Cc1c(C)c(C)c(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)c(C)c1C 133980962 ZINADFYTJGXWLT-UHFFFAOYSA-N 357.410 2.615 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCC[C@@H]2[C@]1(O)C(F)(F)F 1212550 JMNAMCJDPQGZKJ-FZMZJTMJSA-N 357.288 2.848 5 50 FFBA CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2cccc([N+](=O)[O-])c2)N3)C1 4908494 QOCHASNCRCUSRF-YVACAVLKSA-N 370.434 2.839 5 50 FFBA COC(=O)[C@@H](NC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-])C(C)C 253428207 PNDGKFWZPIMDPK-AWEZNQCLSA-N 357.366 2.584 5 50 FFBA COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 5049440 XUPWXLOPCYFDQV-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA CCCCO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)O[C@H]2[C@@H](O)[C@H]1[N+](C)(C)C 257347877 XSABTWAXKCYQPZ-HUJIQXBTSA-N 364.506 2.884 5 50 FFBA O=C(O)CCCn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1 1424787 RYFKGAIQBDALIK-UHFFFAOYSA-N 352.734 2.562 5 50 FFBA CCOc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19789991 SDKNZFSOAWLOAT-UHFFFAOYSA-N 369.421 2.952 5 50 FFBA Cc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc1C(=O)N(C)C 1113463 ZXRJYFAXNDYYRX-BQYQJAHWSA-N 360.395 2.713 5 50 FFBA COc1cc(C)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C 2998819 JVLRMQWLTGZMAU-UHFFFAOYSA-N 361.379 2.807 5 50 FFBA COc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC 716118 QNOQRDCMVHJETD-UHFFFAOYSA-N 370.317 2.971 5 50 FFBA COc1cccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1OC 865096 PJTLESMBXJYAEN-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 5092014 IAXHQNUAFYGEFG-UHFFFAOYSA-N 372.402 2.822 5 50 FFBA COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 4810651 VHACDOGHTZMDTR-CYBMUJFWSA-N 369.377 2.903 5 50 FFBA O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 247329491 OJUBIZLPFHTVPV-FXXCCUJSSA-N 371.437 2.656 5 50 FFBA COc1cc(CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC 55543548 HHBSQWADXFHNAM-UHFFFAOYSA-N 357.410 2.934 5 50 FFBA Cc1ccc(N2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1220089 FRKXMKOEGOYXQT-HNNXBMFYSA-N 354.362 3.000 5 50 FFBA O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 2869307 ASVJIMXEODKJGS-QGZVFWFLSA-N 354.362 2.943 5 50 FFBA CC(C)(CO)[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 429725982 ZQUOKHNSQMIZIS-VQIMIIECSA-N 374.437 2.684 5 50 FFBA Cc1c(Nc2ccc([N+](=O)[O-])c3nonc23)c(=O)n(-c2ccccc2)n1C 3996201 FBRDXTDTENFTQZ-UHFFFAOYSA-N 366.337 2.672 5 50 FFBA O=C(O)CCCCCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 5041307 WKQKZUQFLOYADL-UHFFFAOYSA-N 356.334 2.989 5 50 FFBA Cc1c(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cccc1[N+](=O)[O-] 1127171 GGQGVHZPIZEBLQ-UHFFFAOYSA-N 363.395 2.551 5 50 FFBA COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 2797120 MFTGCBMUTMFHIA-UHFFFAOYSA-N 360.366 2.516 5 50 FFBA O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] 4825374 QHBXJUCELLZAGI-UHFFFAOYSA-N 361.741 2.612 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(Cl)=CC[C@H]1C(=O)O 4834272 YUYISPSMVKNXOS-GHMZBOCLSA-N 354.746 2.775 5 50 FFBA COc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 4845189 IWJCKYJUYFYUGO-UHFFFAOYSA-N 356.382 2.958 5 50 FFBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c([N+](=O)[O-])c1 100951555 SRPBHLBPXCGCCV-UHFFFAOYSA-N 362.254 2.672 5 50 FFBA Cc1nn(CCC(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1[N+](=O)[O-] 263657968 ITHVZDCONRZXSK-UHFFFAOYSA-N 372.410 2.955 5 50 FFBA CC[C@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br 301598451 TYIIMYGVEGJWSE-QWRGUYRKSA-N 355.236 2.815 5 50 FFBA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 674554 DGBDBYWIGJYRIB-UHFFFAOYSA-N 373.390 2.898 5 50 FFBA COc1ccc(C(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 19774110 RZYUFHUBJPPQJJ-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 6293847 YXGVPJYXVRAKFK-UHFFFAOYSA-N 368.393 2.516 5 50 FFBA CCn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 100452316 MODMILCTKDVWED-UHFFFAOYSA-N 353.334 2.888 5 50 FFBA CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 170622599 JMCHSPDNPGUQQM-OAHLLOKOSA-N 373.413 2.597 5 50 FFBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(OC(F)(F)Cl)cc1 1072728 GIIGHJKQSJPJEY-UHFFFAOYSA-N 360.704 2.906 5 50 FFBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4104330 PEVJOWTYIDYLMT-UHFFFAOYSA-N 354.410 2.875 5 50 FFBA CCc1cccc(Nc2c([N+](=O)[O-])nn(-c3ccc(OC)cc3)[n+]2[O-])c1 4757984 RIYWDCYVZHCUNK-UHFFFAOYSA-N 355.354 2.729 5 50 FFBA COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 4777655 ZIIRSDSRNJEPIV-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA CCOc1ccc(Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])cc1 3879159 HQSDKMDVGFIYTO-UHFFFAOYSA-N 351.384 2.645 5 50 FFBA O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1-c1ccccc1 4310963 PNUFJHGTUAPVFD-UHFFFAOYSA-N 351.362 2.736 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCCCC2)CC1 54992020 WGDVRUYLGHFKSJ-UHFFFAOYSA-N 367.471 2.624 5 50 FFBA O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4498407 DWJSTRZDUMYITK-UHFFFAOYSA-N 365.311 2.975 5 50 FFBA CCN(CC)CCNC(=O)c1c([N+](=O)[O-])nc(C(C)C)n1CC(C)C 22023397 XPLFUUSVFWAMDC-UHFFFAOYSA-N 353.467 2.642 5 50 FFBA C[N+]1(CCN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)CCOCC1 6068271 HORQIDZSTJQGMP-UHFFFAOYSA-N 370.429 2.718 5 50 FFBA COc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc12 1070656 JNPKOUVPEJAIJJ-UHFFFAOYSA-N 368.345 2.948 5 50 FFBA Cc1ccc2[nH]c(=O)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 9201561 AFCPOCQNKKNKQD-UHFFFAOYSA-N 366.329 2.784 5 50 FFBA CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125315 BAHIDTAWPMECKG-UHFFFAOYSA-N 360.458 2.890 5 50 FFBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1 2870082 DAPUUGKSAKUHTL-UHFFFAOYSA-N 356.787 2.606 5 50 FFBA COc1ccc(CNC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC 15330788 QFWGAEPABZVWRU-GFCCVEGCSA-N 360.366 2.696 5 50 FFBA CC(C)(C)OC(=O)N1C[C@H](Cc2cccc([N+](=O)[O-])c2)C[C@H]1C(=O)O 4241408 RMZVCAKGGRWHKJ-OCCSQVGLSA-N 350.371 2.848 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 247344079 TZPGTEGLWDWRRN-RANZSIQMSA-N 362.341 2.554 5 50 FFBA O=[N+]([O-])c1cc(N[C@@H]2C[C@@H](O)[C@@H](O)CO2)cc(Sc2ccccc2)c1 217507857 AQFSCHZBYWUHCK-IKGGRYGDSA-N 362.407 2.626 5 50 FFBA biogenic,in-vitro COc1cc(I)c([N+](=O)[O-])cc1Br 169800544 LIQQFDPRYUYNMP-UHFFFAOYSA-N 357.929 2.971 5 50 FFBA in-vitro Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 163938171 GXJGSCFEOMHWAZ-SFHVURJKSA-N 370.409 2.721 5 50 FFBA COc1ccc(Cc2n[nH]/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 17208925 TZEPNMKDWCCHDS-UHFFFAOYSA-N 370.390 2.720 5 50 FFBA CN1C=CC(C(=O)NCCC[N+](C)(C)Cc2ccccc2)=CC1=CN=O 1857524612 QAIZYWSAILKJQP-UHFFFAOYSA-O 355.462 2.763 5 50 FFBA COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1[N+](=O)[O-] 834224 IZEJKWNRMUXIST-UHFFFAOYSA-N 359.357 2.705 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1cccs1 2884712 BZHVCOXKGFTLAZ-QMMMGPOBSA-N 373.232 2.801 5 50 FFBA CCSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 4913533 MAPVNLSCVDWVMY-CYBMUJFWSA-N 364.423 2.769 5 50 FFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@]2(CCc3ccccc32)C1 164997049 CQJCSFGZZCVDNF-LJQANCHMSA-N 354.362 2.615 5 50 FFBA CCCO[P@](=O)(O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 2923983 JMXOPQGHDGYVEK-UHFFFAOYSA-N 358.165 2.759 5 50 FFBA CN(C)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC(F)(F)F)n1 3877358 NPFSWQWYKLHWPI-UHFFFAOYSA-N 358.280 2.531 5 50 FFBA biogenic O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3ccccc3O)CC2)c1 6402738 KOUHCKAAEBIMHW-UHFFFAOYSA-N 358.423 2.819 5 50 FFBA O=[N+]([O-])c1ccc2[nH]c(CNC3CCN(c4nccs4)CC3)nc2c1 278698742 NNZIZCGFLZPXKU-UHFFFAOYSA-N 358.427 2.686 5 50 FFBA COc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 1134991 IWWHFWWURWYFMW-ZHACJKMWSA-N 367.405 2.965 5 50 FFBA C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@@H]1CCC[C@H]1O 246433139 INANOZYIXWCUGE-JRPNMDOOSA-N 355.822 2.668 5 50 FFBA COC(=O)c1ccc(N[C@H]2CCc3nc(C(C)C)nn3C2)c([N+](=O)[O-])c1 225384563 BSLJFLGXHIDATC-LBPRGKRZSA-N 359.386 2.523 5 50 FFBA Cc1ccnc(NC(=O)c2ccn(COc3ccccc3[N+](=O)[O-])n2)c1 6789982 CRSLQJUIQQQCQG-UHFFFAOYSA-N 353.338 2.784 5 50 FFBA COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Cl)cc3)[n+]2[O-])cc1 4808229 LUWTWIHRIQEQIA-UHFFFAOYSA-N 361.745 2.820 5 50 FFBA CCOc1ccccc1N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1198882 LDNNAURSBVSDIW-UHFFFAOYSA-N 355.394 2.956 5 50 FFBA COc1cc2c(cc1OC)CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)CC2 15977309 LOSARNASPVXQAZ-UHFFFAOYSA-N 356.378 2.739 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCC[C@H]2[C@@]1(O)C(F)(F)F 1212556 JMNAMCJDPQGZKJ-BXUZGUMPSA-N 357.288 2.848 5 50 FFBA Cc1ccc(S(=O)(=O)Oc2c(C)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 3132927 TZISYEQTDNULQX-UHFFFAOYSA-N 352.324 2.888 5 50 FFBA COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] 1121206 GCDNKOMKMUVTPZ-UHFFFAOYSA-N 374.349 2.580 5 50 FFBA COCCCn1ccc2nc3ccn(-c4ccccc4)c(=O)c3cc2c1=O 38828988 LHRYFXBJAIEASI-UHFFFAOYSA-N 361.401 2.737 5 50 FFBA CC(C)OC(=O)Oc1c([N+](=O)[O-])cc(N2CCCC2=O)cc1[N+](=O)[O-] 12382703 RNNKZTYHDCABGX-UHFFFAOYSA-N 353.287 2.554 5 50 FFBA Cc1ccccc1Cn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 2767007 JTIUJIVEQCNQKP-UHFFFAOYSA-N 372.406 2.949 5 50 FFBA COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1195066 MOOQUSCZFFANCL-HNNXBMFYSA-N 373.390 2.821 5 50 FFBA COc1cccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)n(C)c2=N)c1 334157516 FCBBIKBQXVALAP-UHFFFAOYSA-N 366.377 2.773 5 50 FFBA Cc1cc2c(c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n1)C(=O)OC2 4593205 IBTCYLNIAKGWBX-UHFFFAOYSA-N 359.363 2.699 5 50 FFBA Cc1nn(CCc2nnc(S)n2-c2ccc(F)cc2)c(C)c1[N+](=O)[O-] 5424959 UTWNOXOOVFQNDD-UHFFFAOYSA-N 362.390 2.659 5 50 FFBA COc1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 4117155 YYYJTRHICSBNKZ-UHFFFAOYSA-N 373.409 2.931 5 50 FFBA O=C(NC(NC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1)c1ccco1 872575 AXUMSHZHMQTPNE-UHFFFAOYSA-N 355.306 2.639 5 50 FFBA COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4601110 RSCCTXHEJWOOSE-CQSZACIVSA-N 374.349 2.558 5 50 FFBA Cn1c(=O)nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 5712931 IIBKJKDGNBTINP-UHFFFAOYSA-N 355.375 2.817 5 50 FFBA CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c([N+](=O)[O-])c1 247972704 VJKMRECRATZLOQ-FXBFXLCLSA-N 365.455 2.740 5 50 FFBA O=C(OCc1cccc2nonc12)c1ccn(-c2ccccc2[N+](=O)[O-])n1 1875336794 HOTZAKIPKNNMHP-UHFFFAOYSA-N 365.305 2.674 5 50 FFBA COc1cc(CN2CCN(Cc3ccccc3)CC2)cc([N+](=O)[O-])c1O 19537477 ZSASJJCKLIHXAY-UHFFFAOYSA-N 357.410 2.627 5 50 FFBA Cc1cc(C(=O)N2N=C(C3CC3)C[C@]2(O)C(F)(F)F)ccc1[N+](=O)[O-] 4178892 CSSXDVLYMNYVJB-AWEZNQCLSA-N 357.288 2.766 5 50 FFBA COc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1[N+](=O)[O-] 53666712 SJSOACCGNLCIJQ-UHFFFAOYSA-N 369.421 2.604 5 50 FFBA O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4596973 JQGFYFPXSTUEPI-UHFFFAOYSA-N 361.379 2.522 5 50 FFBA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 861522 FUXVZXSCPAIJCJ-UHFFFAOYSA-N 360.366 2.518 5 50 FFBA CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc([N+](=O)[O-])c1 853679 HJVVJXOJCQJLEC-HNNXBMFYSA-N 356.334 2.558 5 50 FFBA O=[N+]([O-])c1ccc2nc(CSc3nnnn3-c3ccccc3)[nH]c2c1 1187011 YGJDCOPUXSBKOY-UHFFFAOYSA-N 353.367 2.739 5 50 FFBA O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc([N+](=O)[O-])o1 2865851 HRXFKGFAASAQSY-UHFFFAOYSA-N 351.746 2.930 5 50 FFBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Cl)cc1 1164498 NGLORZBSWVIBIU-UHFFFAOYSA-N 374.736 2.588 5 50 FFBA Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cnc(-c2ccccc2)nc1 148729552 YUECPDNORQFVND-UHFFFAOYSA-N 352.354 2.586 5 50 FFBA CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 675591 NJLDHYDBHUVERY-UHFFFAOYSA-N 372.406 2.704 5 50 FFBA COc1cccc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2N)c1 1049721 AVRUNJBHFCSUIO-UHFFFAOYSA-N 357.395 2.868 5 50 FFBA COCCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1771519 VSCYKSQRAAJKGW-UHFFFAOYSA-N 358.350 2.959 5 50 FFBA COc1ccc(-c2nc3cc(OC(C)=O)ccc3c(=O)o2)cc1[N+](=O)[O-] 2850453 FWSHOOQOSCTBTH-UHFFFAOYSA-N 356.290 2.697 5 50 FFBA NC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 170615010 PPKAIUHEUHNUNZ-SFHVURJKSA-N 371.418 2.726 5 50 FFBA O=C(NCc1cn(-c2cccc(F)c2)nn1)Nc1ccccc1[N+](=O)[O-] 2325825265 KFLYSYWTCWVLOH-UHFFFAOYSA-N 356.317 2.636 5 50 FFBA COC(=O)c1cc(C(=O)Nc2nnc(C(C)(C)C)s2)cc([N+](=O)[O-])c1 2991647 SUAIPJKWKYHPKE-UHFFFAOYSA-N 364.383 2.783 5 50 FFBA O=C(C[C@]1(O)C(=O)Nc2ccc([N+](=O)[O-])cc21)c1ccc(Cl)s1 5049722 HPOVKSAVNSBYHX-CQSZACIVSA-N 352.755 2.722 5 50 FFBA COc1cc(CN2CCN(c3ccccc3C)CC2)cc([N+](=O)[O-])c1O 1227758 VAPMLYVQLOWTGR-UHFFFAOYSA-N 357.410 2.940 5 50 FFBA COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CCO1 870115133 BOGBHKBMJJQSPG-KRWDZBQOSA-N 357.366 2.521 5 50 FFBA COc1cc(C(C)=O)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1800537 DHRMSFQJPBCMRA-UHFFFAOYSA-N 360.278 2.933 5 50 FFBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 4676002 PASZSDQGEOLWDO-UHFFFAOYSA-N 360.458 2.890 5 50 FFBA O=C(O)c1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)c1 704975 REDDAESVISWPKA-UHFFFAOYSA-N 354.274 2.652 5 50 FFBA O=C(Cc1ccc(F)cc1)Nc1cc(SCCO)cc([N+](=O)[O-])c1 4577658 JTDHCLCZUXHJIM-UHFFFAOYSA-N 350.371 3.000 5 50 FFBA COC(=O)c1nn(CC(=O)c2cc(C)n(C3CC3)c2C)c(C)c1[N+](=O)[O-] 242346992 ZKWVHZIRXGKFIY-UHFFFAOYSA-N 360.370 2.522 5 50 FFBA COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])cc(C)c2F)nc1C 225697336 DLVPEALSTGGYIQ-UHFFFAOYSA-N 353.331 2.846 5 50 FFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCc3ccccc32)C1 164997165 CQJCSFGZZCVDNF-IBGZPJMESA-N 354.362 2.615 5 50 FFBA COc1ccc(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 1174749 IXISDDICFMADHM-UXBLZVDNSA-N 356.378 2.984 5 50 FFBA CN1CCN(CCCNc2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 229555620 KMJRGIFWQPGJOH-GOSISDBHSA-N 355.442 2.781 5 50 FFBA CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)cc1 4955088 WHMVVIRETQGBFQ-UHFFFAOYSA-N 358.306 2.722 5 50 FFBA O=C1[C@H](Oc2cccnc2[N+](=O)[O-])CCN1c1ccccc1OC(F)F 115964068 MOSBZOPBYFCDTP-CYBMUJFWSA-N 365.292 2.776 5 50 FFBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 877460 WBHLXDZDOUCOGT-UHFFFAOYSA-N 351.746 2.930 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCS(=O)(=O)Cc1ccccc1 2876370 SUYNLNOEUKMLJL-UHFFFAOYSA-N 362.407 2.847 5 50 FFBA COc1cc(CN2CCN(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1O 875155 YGKREUFDRPZLAO-UHFFFAOYSA-N 361.373 2.770 5 50 FFBA COC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)OC 1717038 DGANXQLLXWERMX-UHFFFAOYSA-N 360.278 2.743 5 50 FFBA O=C(NCc1ccccc1Cl)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 2943488 LOHBODDNWAYKQV-CYBMUJFWSA-N 373.796 2.918 5 50 FFBA Cc1ccc(S(=O)(=O)N2CCc3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])cc1 2381273 ICMUKAOBIWFYGK-UHFFFAOYSA-N 363.351 2.563 5 50 FFBA CCOCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 2878132 CHILFLZIVMMDKP-UHFFFAOYSA-N 356.791 2.931 5 50 FFBA COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c([N+](=O)[O-])c1 101359457 ACQONOVWRBWMHI-MWDDYTRKSA-N 354.362 2.861 5 50 FFBA O=C1OCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 4052197 HQXKDBWLBLPDJV-MRXNPFEDSA-N 352.302 2.692 5 50 FFBA Cc1ncc([N+](=O)[O-])n1CCSc1nnnn1-c1ccccc1Cl 1135793 JPXRROIMZVFJFZ-UHFFFAOYSA-N 365.806 2.521 5 50 FFBA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])NCC2 22204804 BPZRORNUZRKVSV-LJQANCHMSA-N 374.393 2.864 5 50 FFBA COc1ccc(C(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 19773495 HLHDRDQYMXFAPM-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cn1 13331874 CJYUQJYZFYAGFY-UHFFFAOYSA-N 358.173 2.553 5 50 FFBA O=C(O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4cccc([N+](=O)[O-])c4)n1)(C3)C2 2741422 HTUZTYSEWDDZDZ-CCHVVGMOSA-N 369.381 2.628 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc([N+](=O)[O-])c1 100001908 PVHUJELLJLJGLN-MRXNPFEDSA-N 360.366 2.566 5 50 FFBA biogenic,world CON(C)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 40566566 YLEOFNJZGIPYFE-JTQLQIEISA-N 361.320 2.850 5 50 FFBA COC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 1230676 DFPLQNWBBODREE-UHFFFAOYSA-N 372.333 2.729 5 50 FFBA Cc1cc(C)c(NC(=O)c2cc(C(=O)O)ccc2C(=O)O)c([N+](=O)[O-])c1 4860528 KZPWKDJZLLWCIB-UHFFFAOYSA-N 358.306 2.860 5 50 FFBA C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)C[C@H]1CCC[C@H]1O 246433159 INANOZYIXWCUGE-UEKVPHQBSA-N 355.822 2.668 5 50 FFBA CS(=O)(=O)c1cc([N+](=O)[O-])c(Br)cc1OC(F)(F)F 217049296 SNJGGEKRDSOIGK-UHFFFAOYSA-N 364.095 2.659 5 50 FFBA O=c1c2cnc3nc4ccccc4n3c2ccn1-c1ccc2c(c1)OCCO2 22607824 QRQIJDFDXWAXCZ-UHFFFAOYSA-N 370.368 2.958 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(Cl)=CC[C@@H]1C(=O)O 4949484 DHZWDJJUPAFQHR-QWRGUYRKSA-N 354.746 2.775 5 50 FFBA COc1ccc(OC)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 851731 GIRPOJOFUQRBDZ-UHFFFAOYSA-N 362.338 2.882 5 50 FFBA COC(=O)c1ccccc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 1432139 VVFSCFCPISULEC-UHFFFAOYSA-N 360.370 2.614 5 50 FFBA CC(C)C(=O)Nc1cc(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc23)ccn1 490953025 CFUHFPRCEAYFMR-UHFFFAOYSA-N 368.353 2.713 5 50 FFBA O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] 2869308 ASVJIMXEODKJGS-KRWDZBQOSA-N 354.362 2.943 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)O 4949483 DHZWDJJUPAFQHR-WDEREUQCSA-N 354.746 2.775 5 50 FFBA C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 248133018 ZINVDDQTRNQZSD-MCYUEQNJSA-N 363.414 2.663 5 50 FFBA Cc1sc2ncn3nc(CCn4nc([N+](=O)[O-])cc4C)nc3c2c1C 2808455 HYDQMRGOUXICLA-UHFFFAOYSA-N 357.399 2.612 5 50 FFBA Cn1c(=O)c([N+](=O)[O-])c(NC[C@H]2C[C@@H](n3ccnc3)C2)c2ccccc21 2325802460 IRNHSGVSJNMAFH-BETUJISGSA-N 353.382 2.706 5 50 FFBA O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCOCC1 2890900 JTUOLOREPLMYPS-UHFFFAOYSA-N 365.436 2.669 5 50 FFBA CNc1ccc(CNCCNc2cc(OC)cc(OC)c2)cc1[N+](=O)[O-] 126106727 JEAZTTDGHRTJDV-UHFFFAOYSA-N 360.414 2.855 5 50 FFBA CC(C)(C)NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1201639 SBZRPAILPABNES-UHFFFAOYSA-N 367.361 2.924 5 50 FFBA Cc1ccc(S(=O)(=O)NCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1 4689119 IXYAZYXJWPJRIW-UHFFFAOYSA-N 369.830 2.947 5 50 FFBA CCCCc1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 2878030 PPDGBFXPYPAQNK-UHFFFAOYSA-N 364.383 2.828 5 50 FFBA Cc1nn(CCc2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] 2808685 QWEVOKHHESVHKT-UHFFFAOYSA-N 371.426 2.920 5 50 FFBA CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 674548 OGKXZOFFFHQKHD-UHFFFAOYSA-N 358.379 2.680 5 50 FFBA COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 4893250 JAWGLPSGCCLFJW-WJDWOHSUSA-N 356.334 2.547 5 50 FFBA Cc1cc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3O)CCO2)ccc1F 135266499 KGIJFYYBDHHTEZ-MRXNPFEDSA-N 360.341 2.962 5 50 FFBA CCOC(=O)C(C)(C(=O)OCC)c1ccc([N+](=O)[O-])cc1Br 116850486 KMTCLWUMAULDAN-UHFFFAOYSA-N 374.187 2.741 5 50 FFBA COc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 5051145 GDJGTQFKNKQZDS-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 4695144 WDMVEPJOKGCNPA-KEXZDQNZSA-N 370.770 2.846 5 50 FFBA CCOC(=O)c1ccc(Nc2cc(OC)c([N+](=O)[O-])nc2[N+](=O)[O-])cc1 23283641 FTBJVVMIWAYQOX-UHFFFAOYSA-N 362.298 2.827 5 50 FFBA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2794300 HULNVIFMCCNGPD-MRVPVSSYSA-N 371.166 2.968 5 50 FFBA O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc(F)c([N+](=O)[O-])cc1F 123669938 ZDOSBBAKFWMOKU-SNVBAGLBSA-N 356.325 2.679 5 50 FFBA CN1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1 4263727 IVPOUSHRTVIOIG-UHFFFAOYSA-N 364.405 2.651 5 50 FFBA Cc1cc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-] 2832907 FWDPZRIOTDURJS-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 239415383 UGQUNBCGFMJVEJ-RANZSIQMSA-N 362.341 2.554 5 50 FFBA O=C(Nc1ccc([N+](=O)[O-])cc1I)C(F)(F)F 4099315 FKYQJXBMNHFFFV-UHFFFAOYSA-N 360.029 2.700 5 50 FFBA O=C(O)/C=C\C(=O)Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 32538784 CINWJNUJCYISJS-FPLPWBNLSA-N 372.293 2.826 5 50 FFBA CCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 2864629 QLCFPHQDBYDXAX-QGZVFWFLSA-N 371.393 2.568 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4547809 PZKNOFLTFPAVAU-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA CCOC(=O)c1sc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2c1NC(C)=O 3617937 ISXZFCVWJQJESY-UHFFFAOYSA-N 353.312 2.853 5 50 FFBA O=C1C(=O)N(Cc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 4013550 AAMVBOZNQSWKJR-UHFFFAOYSA-N 373.752 2.739 5 50 FFBA O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 365674206 KPOOMIFNIJEZGI-LJQANCHMSA-N 374.368 2.507 5 50 FFBA O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 5799434 GLKSKWLRJFBCEV-UHFFFAOYSA-N 373.369 2.533 5 50 FFBA CCOC(=O)[C@H](CC1CCCCC1)NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl 2325851018 NDKACCZUGMBIRL-JTQLQIEISA-N 372.809 2.603 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccccc2C1 2765122 PPTOJJGTSJGPCY-UHFFFAOYSA-N 355.394 2.990 5 50 FFBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 19760041 HTIQHFZBHHKVPJ-DHZHZOJOSA-N 351.406 2.952 5 50 FFBA Cc1cncc(C(=O)OCC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 132160014 BAEWCNSCJUUTDT-UHFFFAOYSA-N 356.382 2.767 5 50 FFBA COCN1C(=O)CCc2cc(NC(=O)Cc3cccc([N+](=O)[O-])c3)ccc21 170603882 QVYSMOVIUSELDE-UHFFFAOYSA-N 369.377 2.659 5 50 FFBA CN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 1068084 JHFISHRHNDISFW-KRWDZBQOSA-N 360.753 2.685 5 50 FFBA O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 2871495 USACMETWBLKACZ-UHFFFAOYSA-N 367.283 2.982 5 50 FFBA Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)NCCCN2CCOCC2)o1 22145908 ZPEDNVBFBBLLQD-UHFFFAOYSA-N 373.409 2.615 5 50 FFBA COc1ccccc1NC(=O)c1cc(-n2cc([N+](=O)[O-])cn2)cnc1C 4821034 CXBDVXLMCCCUFS-UHFFFAOYSA-N 353.338 2.745 5 50 FFBA CC(C)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 4482686 IACVFWKBAJGTAT-SFQUDFHCSA-N 353.378 2.890 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)N1CCCCCC1 1070717 KYOCEIQLAGTRRD-SNVBAGLBSA-N 359.224 2.826 5 50 FFBA COC(=O)c1cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc([N+](=O)[O-])c1 1182768 WCNAEGLXRGOLTA-UHFFFAOYSA-N 371.349 2.616 5 50 FFBA C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)OC(C)(C)C 170614765 GYHCJHVMWUHBGW-ZJUUUORDSA-N 355.416 2.642 5 50 FFBA O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@H](COCc2ccccc2)C1 170618722 LHUGFIDKSJVCBR-HNNXBMFYSA-N 356.378 2.979 5 50 FFBA Cc1cc(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)c(Cl)cc1Cl 2325871368 JEGDRRRFZGYDMV-UHFFFAOYSA-N 350.183 2.952 5 50 FFBA CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1164322 XQNVNGLZLHTPDF-UHFFFAOYSA-N 356.334 2.983 5 50 FFBA COc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 2857818 PJTRSXIOWVUEOA-UHFFFAOYSA-N 352.368 2.721 5 50 FFBA CCOc1ccc(Nc2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])cc1 4117477 XBLVBJXQYFKWSG-UHFFFAOYSA-N 359.386 2.672 5 50 FFBA CN(c1ccccc1)c1cc(N2CCOCC2)c2nonc2c1[N+](=O)[O-] 3904315 LOPRCKRCJFZQEX-UHFFFAOYSA-N 355.354 2.736 5 50 FFBA Cc1c(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)(F)F)cccc1[N+](=O)[O-] 651720 PMYPQFGNTMMJRH-CQSZACIVSA-N 357.288 2.766 5 50 FFBA NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2 4070298 DYXDQEDGCDTXNW-UHFFFAOYSA-N 351.409 2.948 5 50 FFBA COc1cccc(OC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)c1 1132555 QUVJLLLUWXBFOX-UHFFFAOYSA-N 371.301 2.938 5 50 FFBA CCOC(=O)Cc1csc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 1140635 AKFNMVRSIPUPFJ-SNVBAGLBSA-N 363.395 2.899 5 50 FFBA COc1cc(C=O)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1 2985279 WLXYTYDSOKYZCZ-UHFFFAOYSA-N 361.350 2.890 5 50 FFBA C[C@@H](CNC(=O)OC(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 225388784 ITRHXZXQXQJAKR-AWEZNQCLSA-N 364.446 2.630 5 50 FFBA O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCOCC1)/C(=C/C1(O)CCCCC1)O2 19782221 NTHQPAPZADRELK-MTMYEVCSSA-N 360.410 2.940 5 50 FFBA Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1C(=O)CCC1=O 2860813 DLICSSLDMJIJTB-UHFFFAOYSA-N 354.318 2.776 5 50 FFBA CNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c([N+](=O)[O-])c1 247972708 VJKMRECRATZLOQ-HXKBKMISSA-N 365.455 2.740 5 50 FFBA C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 2794299 HULNVIFMCCNGPD-QMMMGPOBSA-N 371.166 2.968 5 50 FFBA O=[N+]([O-])c1cc(SC(F)(F)F)cc([N+](=O)[O-])c1N1CCNCC1 4185306 MUEVHWRZNRLOQA-UHFFFAOYSA-N 352.294 2.525 5 50 FFBA COc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 4575472 PJGNIKBBAUNHNX-UHFFFAOYSA-N 355.394 2.586 5 50 FFBA CS(=O)(=O)c1ccc(SCC(=O)OC2CCCCC2)c([N+](=O)[O-])c1 957044 PVIOCDHJGLZBLG-UHFFFAOYSA-N 373.452 2.966 5 50 FFBA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 4817987 PHOUKODAUMRZRQ-UHFFFAOYSA-N 364.379 2.799 5 50 FFBA C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 601316 HOOSGZJRQIVJSZ-WEQDKIBNSA-N 352.454 2.705 5 50 FFBA fda CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccc(C)c([N+](=O)[O-])c1 2796838 NOBNMPJHFTYBPF-UHFFFAOYSA-N 374.393 2.826 5 50 FFBA Cc1cc(C(=O)N2N=C(C3CC3)C[C@@]2(O)C(F)(F)F)ccc1[N+](=O)[O-] 4178891 CSSXDVLYMNYVJB-CQSZACIVSA-N 357.288 2.766 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(Cl)=CC[C@@H]1C(=O)O 4834270 YUYISPSMVKNXOS-WDEREUQCSA-N 354.746 2.775 5 50 FFBA COc1ccc(C(=O)c2ccccc2)c(Oc2nc([N+](=O)[O-])nn2C)c1 1432498 BOHXTROWWCXLSH-UHFFFAOYSA-N 354.322 2.755 5 50 FFBA Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc([N+](=O)[O-])cc12 20104180 CEDGMJITDCEYOW-UHFFFAOYSA-N 350.382 2.568 5 50 FFBA CN1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 4117529 WSFVCTPZFVONBP-UHFFFAOYSA-N 352.438 2.909 5 50 FFBA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4821378 LAEFJAKZLQOIHJ-UHFFFAOYSA-N 370.394 2.610 5 50 FFBA COc1ccc(C(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 1171868 AAZYXXFCVACTDM-UHFFFAOYSA-N 372.333 2.602 5 50 FFBA O=[N+]([O-])c1cnn(C[C@@H](O)CN[C@@H](c2ccc(Cl)cc2)C2CCC2)c1 182601459 WNGUTOLETWWKMJ-DLBZAZTESA-N 364.833 2.937 5 50 FFBA CC(C)(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1891983 LRXGNLYTSNBCHN-UHFFFAOYSA-N 369.424 2.869 5 50 FFBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 1002313 AQABNQGRJQHTGF-UHFFFAOYSA-N 371.397 2.690 5 50 FFBA COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4866011 OHNOUFCJZOYCOF-UHFFFAOYSA-N 355.394 2.874 5 50 FFBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 100186983 UJMIUWDBMSNVBU-IYVPYFHTSA-N 354.362 2.861 5 50 FFBA COC(=O)CCc1nnc(NCc2ccc(Cl)c([N+](=O)[O-])c2)s1 170607198 GYPNRFQSCSTADM-UHFFFAOYSA-N 356.791 2.817 5 50 FFBA CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 84403367 PVHUJELLJLJGLN-INIZCTEOSA-N 360.366 2.566 5 50 FFBA biogenic,world O=[N+]([O-])c1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 55526909 ZVPWCDOFMSEUGJ-UHFFFAOYSA-N 365.393 2.967 5 50 FFBA Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2cccc(F)c2)n1C 4625594 STMKZCMTSNXUEJ-UHFFFAOYSA-N 362.390 2.708 5 50 FFBA Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1[N+](=O)[O-] 4310079 UISUHBZCADRWOI-UHFFFAOYSA-N 352.437 2.974 5 50 FFBA CCCCO[C@@H]1O[C@@H]2CC[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1[N+](C)(C)C 257347878 XSABTWAXKCYQPZ-UCGFNCKJSA-N 364.506 2.884 5 50 FFBA COc1ccccc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 881998 QRCQLXNSLAKCFA-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2 3821675 ZLHZLMOSPGACSZ-NSHDSACASA-N 359.260 2.668 5 50 FFBA world O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1N1CCOCC1 4846217 ZOVMAGGGZXUKOZ-UHFFFAOYSA-N 368.437 2.758 5 50 FFBA Cc1nc(C)c(CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)s1 225749226 YXJWSYAUCGCJNB-UHFFFAOYSA-N 366.418 2.846 5 50 FFBA Cc1ccccc1Cn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 6373284 RMNZUQCWHJVYPS-UHFFFAOYSA-N 372.406 2.949 5 50 FFBA O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCc1noc2ccccc12 225390567 NAMPEWLEWLXBDC-UHFFFAOYSA-N 367.770 2.868 5 50 FFBA CCOC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 2837187 AQUORSRWZGWJHH-UHFFFAOYSA-N 365.363 2.848 5 50 FFBA CCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 2864630 QLCFPHQDBYDXAX-KRWDZBQOSA-N 371.393 2.568 5 50 FFBA CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 451479057 LQWZMMAJFMIPTA-XZJROXQQSA-N 367.833 2.980 5 50 FFBA Cc1nn(CC(=O)NCc2cccc(C(F)(F)F)c2)c(C)c1[N+](=O)[O-] 2760217 DYUPVZRYCQXXEV-UHFFFAOYSA-N 356.304 2.743 5 50 FFBA COc1ccc(CCNCc2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC 19831486 GGEMUDOIUXRGDL-UHFFFAOYSA-N 360.366 2.673 5 50 FFBA O=c1c2cc(Br)ccc2oc2nc3n(c(=O)c12)CCCS3 588696 BZTSSXCAQQGXDN-UHFFFAOYSA-N 365.208 2.761 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-] 882013 ZKWAYHXCTNAVNJ-UHFFFAOYSA-N 373.390 2.933 5 50 FFBA COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])c1 3960317 CVHKFMZCEACBLK-UHFFFAOYSA-N 362.338 2.882 5 50 FFBA O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1)c1ccccc1 1194888 KUSFAJOPBXPJAF-NBVRZTHBSA-N 365.389 2.988 5 50 FFBA COc1cc(C(=O)Nc2nnc(CC(C)C)s2)c([N+](=O)[O-])cc1OC 1152751 QINGNMZERMDILN-UHFFFAOYSA-N 366.399 2.914 5 50 FFBA CCOC(=O)C1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 4872598 YKVHDLCEEPTSJS-UHFFFAOYSA-N 366.439 2.630 5 50 FFBA CCSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 17074882 UHUJDIGZHQZTNK-AWEZNQCLSA-N 364.423 2.769 5 50 FFBA COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 55543099 JZBSULNWXIPUAV-UHFFFAOYSA-N 357.410 2.934 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C 109242226 UOMILWPERKGLJT-CYBMUJFWSA-N 363.414 2.985 5 50 FFBA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1214796 WKBPEDQFGAOFIG-UHFFFAOYSA-N 374.393 2.826 5 50 FFBA COc1cc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc([N+](=O)[O-])c1 825511 VBXMKVWEISVKEP-UHFFFAOYSA-N 358.276 2.766 5 50 FFBA Cc1ccc(N2C[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 1220090 FRKXMKOEGOYXQT-OAHLLOKOSA-N 354.362 3.000 5 50 FFBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4044705 AZYUZEOHLIFOLL-UHFFFAOYSA-N 355.394 2.956 5 50 FFBA COC(=O)[C@@H]1C[C@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 239046960 GADHYTDTGWDBMW-SSUSALDKSA-N 353.486 2.930 5 50 FFBA COc1cc([N+](=O)[O-])cc(Br)c1I 36532922 FEKKRBFCDJPVCH-UHFFFAOYSA-N 357.929 2.971 5 50 FFBA O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1cccc([N+](=O)[O-])c1 15988010 ZBPNPYBVLCSWTF-UHFFFAOYSA-N 356.363 2.562 5 50 FFBA C[C@@H](C(=O)Nc1nnc(CCc2ccccc2)s1)n1cc([N+](=O)[O-])cn1 1432066 LCSGRBAZPVUZKV-NSHDSACASA-N 372.410 2.628 5 50 FFBA O=C1NCCCN1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 135406437 NRSOCSKMTDFSNX-UHFFFAOYSA-N 352.822 2.628 5 50 FFBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCc2ccc(F)cc21 225687361 TUBLHXDRCPOIEZ-UHFFFAOYSA-N 357.341 2.879 5 50 FFBA NC[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 170048449 GYPUTTODMIKSDW-WCQYABFASA-N 359.348 2.790 5 50 FFBA CCC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 3894057 QPFFUOYDTULCKV-UHFFFAOYSA-N 364.421 2.783 5 50 FFBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccnc1 2865774 UYXYSYIZFXRWQO-UHFFFAOYSA-N 355.379 2.760 5 50 FFBA COc1cc(CN2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])cc1OC 865145 ZLJVLZFHCHLOKD-UHFFFAOYSA-N 361.398 2.523 5 50 FFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1230375 XZRGUHIHGOBYTH-UHFFFAOYSA-N 372.333 2.729 5 50 FFBA COC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 4054071 ICBDYYDHPSPFJI-UHFFFAOYSA-N 359.357 2.847 5 50 FFBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCc2ccccc2C1 887205 QDKLSEVFHPGWDR-UHFFFAOYSA-N 350.330 2.900 5 50 FFBA Cc1c(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] 2840574 ZONNCUWSCRGCBB-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 4565473 FGKSPJHBPRXUAP-UHFFFAOYSA-N 369.830 2.947 5 50 FFBA COc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1 5425015 TYTVCIUEWWAGKM-UHFFFAOYSA-N 374.426 2.903 5 50 FFBA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 1171099 LZRRTXQIBGWJGP-UHFFFAOYSA-N 359.363 2.508 5 50 FFBA COc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1[N+](=O)[O-] 4749964 ASYZTXBXLGRNRT-UHFFFAOYSA-N 357.351 2.769 5 50 FFBA Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c([N+](=O)[O-])c1 2745058 MSOZNPOZXXRIFB-UHFFFAOYSA-N 363.395 2.698 5 50 FFBA Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)[C@@]2(O)c1c(C)[nH]c2ccccc12 5059936 XVOZWWNOGCQLKX-IBGZPJMESA-N 351.362 2.905 5 50 FFBA COc1ccc(OC)c(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1 652085 QLVFCBTWSCJGGX-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)C(C)C)CC3)ccc2[N+](=O)[O-])n1 4138178 RFUUELPADMJWJP-UHFFFAOYSA-N 371.441 2.702 5 50 FFBA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2O 19323110 BKSDRBUNFHRCPU-UHFFFAOYSA-N 359.470 2.884 5 50 FFBA biogenic O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccc([N+](=O)[O-])c1 1466562 SXMSCYZJCOLBOV-UHFFFAOYSA-N 353.334 2.610 5 50 FFBA CC[C@@H]1CN2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Br 301598450 TYIIMYGVEGJWSE-MNOVXSKESA-N 355.236 2.815 5 50 FFBA O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl 5014178 ZCTQUBIPWYNITN-UHFFFAOYSA-N 368.798 2.802 5 50 FFBA COc1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 4580625 WDZABVQGBLMJRP-HNNXBMFYSA-N 358.350 2.858 5 50 FFBA COC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 1174443 BWWZADIMPWKVBB-UHFFFAOYSA-N 359.363 2.508 5 50 FFBA CCCCn1nnc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 2865915 DXEUDVPRLPSOIN-UHFFFAOYSA-N 356.342 2.894 5 50 FFBA Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cccc1[N+](=O)[O-] 2853679 BTODHLSWDIMJLE-UHFFFAOYSA-N 369.377 2.628 5 50 FFBA COC(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)cc([N+](=O)[O-])c1 1218126 ZZCAHOBJWXXHKN-UHFFFAOYSA-N 357.322 2.592 5 50 FFBA CC[C@H](C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2847797 QKSQHYHIOGYKRK-VIFPVBQESA-N 369.424 2.869 5 50 FFBA COC(=O)c1sccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 2872851 QNPFDRLMWKEZDU-UHFFFAOYSA-N 374.330 2.802 5 50 FFBA NC[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 170048452 GYPUTTODMIKSDW-AAEUAGOBSA-N 359.348 2.790 5 50 FFBA COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1 3932163 OZISUZNBRPBLJW-UHFFFAOYSA-N 355.394 2.586 5 50 FFBA CC(C)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 4039510 IZSYVWIYRQVJAT-MRXNPFEDSA-N 367.361 2.854 5 50 FFBA C[C@H](Cn1cc(Br)cn1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2794343 DVDPFIUSOUWDJF-MRVPVSSYSA-N 371.166 2.968 5 50 FFBA O=C(NC1CC1)[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1Br 225505109 PUZUKOAZBVKFQL-ZDUSSCGKSA-N 354.204 2.605 5 50 FFBA Cc1ccc(NC(=S)NCCn2cc([N+](=O)[O-])cn2)c(OC(F)F)c1 2728505 GEPKTTDAUYWHMJ-UHFFFAOYSA-N 371.369 2.688 5 50 FFBA COc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 4181007 RSMIAYBJEBVZMI-UHFFFAOYSA-N 373.409 2.931 5 50 FFBA CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 994809 UAFPQVIVIAPOCE-UHFFFAOYSA-N 355.394 2.956 5 50 FFBA Nc1nccc([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)n1 170616223 GMVVDXBMOXVDST-GFCCVEGCSA-N 350.382 2.899 5 50 FFBA CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 12380143 IYEIXPMOAACOGH-NYYWCZLTSA-N 368.345 2.993 5 50 FFBA CC[C@H](C)Oc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OC 5041314 YWRSRJLSXAEOLX-STUBTGCMSA-N 361.354 2.740 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccccn2)CC1 4999213 GIFJBZSENHYFJU-UHFFFAOYSA-N 373.438 2.517 5 50 FFBA C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)Cc1ccccc1 158197474 YEXADZHSAOJFOA-RHSMWYFYSA-N 357.410 2.505 5 50 FFBA CCCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1130028 JOGBLIXRZSBREG-LJQANCHMSA-N 354.362 2.812 5 50 FFBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 1232836 MOTQRVGPHVHLKA-KRWDZBQOSA-N 367.361 2.923 5 50 FFBA CC1(C)N=C(N)N=C(N)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 3635405 FYNDEUXKOQOBSG-UHFFFAOYSA-N 370.438 2.932 5 50 FFBA C[C@@H](C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1)n1c(=O)oc2ccccc21 170596097 LROQLGQPZNTIPY-LBPRGKRZSA-N 355.350 2.722 5 50 FFBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 805351 SNGUEEWWFIOXRJ-UHFFFAOYSA-N 372.333 2.729 5 50 FFBA O=[N+]([O-])c1cc2c(cc1CN1CCN(c3ccc(F)cc3)CC1)OCO2 55543218 MWRNAKIGGNBHDE-UHFFFAOYSA-N 359.357 2.785 5 50 FFBA Cc1cccc(N2C[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2=O)c1 1059188 SJVPWZTYFQKEPO-HNNXBMFYSA-N 354.362 3.000 5 50 FFBA COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4688559 BTOUAEVJKDGETI-UHFFFAOYSA-N 356.382 2.958 5 50 FFBA COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 101360464 UJMIUWDBMSNVBU-MWDDYTRKSA-N 354.362 2.861 5 50 FFBA O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1 2872513 TZOIMAXWWXASDX-UHFFFAOYSA-N 353.422 2.918 5 50 FFBA O=[N+]([O-])[C@]1(Br)CC2CC(C[C@@](Br)([N+](=O)[O-])C2)C1 1857795305 QTCHKPTZWKEOEH-WZENYGAOSA-N 372.013 2.932 5 50 FFBA COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c(OC)c1 652176 DVCVRIKNRDSFIS-UHFFFAOYSA-N 371.437 2.930 5 50 FFBA O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1nc(F)cc(F)n1 826559558 PLAJBYPLZBOEEC-UHFFFAOYSA-N 356.244 2.617 5 50 FFBA O=[N+]([O-])c1ccc([C@H](O)CN2CCN(C/C=C/c3ccccc3)CC2)cc1 1307399 OPZYKJXPYQSPLO-HXRGIAOBSA-N 367.449 2.959 5 50 FFBA Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3nnc[nH]3)c2)cc1C 117739680 MNVYVVQMAPYJPU-UHFFFAOYSA-N 373.394 2.798 5 50 FFBA COc1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4841367 VBJVEBXMMTZZFF-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(c1ccc([N+](=O)[O-])cc1)C2=O 4726735 ZPXSNTMZLSLATH-QGZVFWFLSA-N 364.361 2.592 5 50 FFBA O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1115110 ANXRXBJOHOQQPE-KRWDZBQOSA-N 369.377 2.756 5 50 FFBA CCCOC(=O)Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 1778441 JNAGNTMRKFZQLJ-UHFFFAOYSA-N 373.390 2.986 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@H]34 252441101 GADHYTDTGWDBMW-YFXNUZKESA-N 353.486 2.930 5 50 FFBA Cc1c(C(=O)NC(=S)Nc2cccc(C(=O)O)c2)cccc1[N+](=O)[O-] 2998322 YUDTZTQQQHRKEG-UHFFFAOYSA-N 359.363 2.728 5 50 FFBA CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1120431 DBFUMXPRHSSCAB-UHFFFAOYSA-N 364.383 2.537 5 50 FFBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1ccccc1 2980726 WURNCWCZLVLDOK-UHFFFAOYSA-N 352.437 2.807 5 50 FFBA C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](CO)Cc1ccccc1 158197326 YEXADZHSAOJFOA-WMLDXEAASA-N 357.410 2.505 5 50 FFBA CC(C)(C)OC(=O)N1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 29753828 WPLIQDFTOUHUPN-UHFFFAOYSA-N 351.403 2.526 5 50 FFBA in-vitro Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1cccs1 2884713 BZHVCOXKGFTLAZ-MRVPVSSYSA-N 373.232 2.801 5 50 FFBA CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)Cc2ccccc2)CC1 5048970 AXUPWEWVMWMSJE-UHFFFAOYSA-N 354.410 2.528 5 50 FFBA COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc2c(c1)OCO2 6951731 FJVXWAPKGLSNHJ-UHFFFAOYSA-N 361.379 2.819 5 50 FFBA Cc1ccccc1OCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 3903990 VXFJHTLURWORGX-UHFFFAOYSA-N 356.426 2.804 5 50 FFBA Cc1cc2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3c2cc1C 4854401 FZQOGKWKGUUQDQ-CXUHLZMHSA-N 351.387 2.982 5 50 FFBA CS(=O)(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c3cccnc23)cn1 225533361 MUVXDNKLVZNSND-UHFFFAOYSA-N 360.351 2.702 5 50 FFBA C[C@H]1c2cccn2CCN1S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 225832596 GXGXPJNUBPOMHH-VIFPVBQESA-N 373.793 2.954 5 50 FFBA CO[C@@](F)(C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(F)(F)F 3672549 XWEKGMTXRSUTJU-JTQLQIEISA-N 355.200 2.624 5 50 FFBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCOc2cccc3cccnc23)c1 4828669 YUBIBSDMDQFTEU-UHFFFAOYSA-N 373.390 2.500 5 50 FFBA CN(CCNc1cc2ncnc(O)c2cc1[N+](=O)[O-])Cc1ccc(F)cc1 301534604 MCLFXKXWZBSRIM-UHFFFAOYSA-N 371.372 2.927 5 50 FFBA C[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 4763660 RMDSOBUAMXNVDC-CYBMUJFWSA-N 358.350 2.953 5 50 FFBA C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 433536618 ALSXFBROZUFGOS-AUUYWEPGSA-N 369.421 2.882 5 50 FFBA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 845684 JWJKQMQXUBCOON-MRXNPFEDSA-N 352.350 2.861 5 50 FFBA O=C(CN1CCCC1)NCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4819284 ULALBNHVAQEIGS-UHFFFAOYSA-N 374.363 2.628 5 50 FFBA C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] 433536621 ALSXFBROZUFGOS-LIRRHRJNSA-N 369.421 2.882 5 50 FFBA COc1cc(C)nc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)n1 824541294 UXIIUJLNQJKJEJ-UHFFFAOYSA-N 364.317 2.656 5 50 FFBA C/C=C(/C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 689861 NXGYZDFEJQLMRA-CFZMTHNTSA-N 366.329 2.838 5 50 FFBA Cc1cc(C)c(-n2nnnc2SCCn2c([N+](=O)[O-])cnc2C)c(C)c1 1135357 RDHQWGJMHSNTTR-UHFFFAOYSA-N 373.442 2.793 5 50 FFBA C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663477 MCUKTXHBDIWXGN-OAHLLOKOSA-N 355.394 2.711 5 50 FFBA C[C@]12CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@H]1C2(F)F 488439216 ZETHJEMWZDJGNI-SJORKVTESA-N 367.396 2.909 5 50 FFBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248380502 QGGLTQNMBCTCLA-OWTLIXCDSA-N 354.428 2.706 5 50 FFBA CC(C)[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 1135050 PXZWHUIBYSXGBD-MRXNPFEDSA-N 367.361 2.854 5 50 FFBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cn1 1208113 XCLUGVBCJSCRNT-UHFFFAOYSA-N 352.144 2.770 5 50 FFBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1F 754947787 AMSAFYKHUPOCRV-UHFFFAOYSA-N 354.315 2.541 5 50 FFBA COc1cccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 5028128 HBRDOGLWOVYKGX-GFCCVEGCSA-N 355.350 2.595 5 50 FFBA C[C@H](OC(=O)c1ccc(N)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229744083 ZINVDDQTRNQZSD-OXJKWZBOSA-N 363.414 2.663 5 50 FFBA O=[N+]([O-])c1cc2c(cc1CN1CCN(c3ccccc3F)CC1)OCO2 55543862 NWLSYTXOZRHQNV-UHFFFAOYSA-N 359.357 2.785 5 50 FFBA CC1(c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)OCCO1 1388719 FHKZHCVRXTZXAM-UHFFFAOYSA-N 363.391 2.788 5 50 FFBA Cc1cc(CNc2cnc([N+](=O)[O-])c(Br)c2)nc(N(C)C)n1 1875268542 GWBHTFGILGYCSV-UHFFFAOYSA-N 367.207 2.529 5 50 FFBA CC(C)N1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1077841 KDAMWLREFUTWDR-LJQANCHMSA-N 354.362 2.810 5 50 FFBA Cc1cc([N+](=O)[O-])nn1CCc1nn2c(-c3cccs3)nnc2s1 20606492 WUVGFBJGKMICID-UHFFFAOYSA-N 361.412 2.570 5 50 FFBA COc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 4983865 MRVQMVWSSALAHP-UHFFFAOYSA-N 370.409 2.608 5 50 FFBA O=C1C[C@H]2c3ccccc3[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 247344065 TZPGTEGLWDWRRN-HPBDAGMYSA-N 362.341 2.554 5 50 FFBA CN(C)C(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3896816 VMRBNSWQWIQWFL-VIFPVBQESA-N 355.609 2.974 5 50 FFBA COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4733259 PBAFZRYSUKIANY-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)C 101360413 RTUNLQSOBPMNDX-SYWGBEHUSA-N 354.362 2.861 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 252441098 GADHYTDTGWDBMW-SRMZTWKBSA-N 353.486 2.930 5 50 FFBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1195000 PKSSXEOECMCCCI-OAHLLOKOSA-N 357.322 2.656 5 50 FFBA C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)OC(C)(C)C 170614766 GYHCJHVMWUHBGW-UWVGGRQHSA-N 355.416 2.642 5 50 FFBA O=C1CN=C(c2cc([N+](=O)[O-])ccc2Cl)c2cc([N+](=O)[O-])ccc2N1 4006279 RUBWZOGBNBSYPE-UHFFFAOYSA-N 360.713 2.946 5 50 FFBA CCOC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4740430 LHBALCBDWBJJLC-UHFFFAOYSA-N 350.352 2.572 5 50 FFBA O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 247329503 OJUBIZLPFHTVPV-NBZXXOOGSA-N 371.437 2.656 5 50 FFBA CC1(C)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]2CCCO[C@H]21 451479055 LQWZMMAJFMIPTA-IUIKQTSFSA-N 367.833 2.980 5 50 FFBA COC(=O)c1cccc([N+](=O)[O-])c1CN1CCN(c2ccccc2)CC1 59846816 ITZNCTTVIPOHOY-UHFFFAOYSA-N 355.394 2.704 5 50 FFBA COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 861523 KTROMQYPJIPJJD-UHFFFAOYSA-N 360.366 2.518 5 50 FFBA CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 451479056 LQWZMMAJFMIPTA-LYRGGWFBSA-N 367.833 2.980 5 50 FFBA CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccccc1)C2=O 4727978 CPFFQGYMPDMGJD-QGZVFWFLSA-N 364.361 2.592 5 50 FFBA COC[C@H](NC(=O)c1ccc(O)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 119719007 BCXLPFFRZFVFCH-ZDUSSCGKSA-N 352.293 2.696 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@@H]34 252441100 GADHYTDTGWDBMW-VWLZUZAXSA-N 353.486 2.930 5 50 FFBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C2CCCC[C@H]2[C@]1(O)C(F)(F)F 1212398 KTEOIVMFGWSIHU-DOMZBBRYSA-N 371.315 2.777 5 50 FFBA O=C(CC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 1758174 RBVOYZBIDZCDBO-UHFFFAOYSA-N 374.305 2.680 5 50 FFBA in-vitro CCCc1ccccc1OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4825482 VRZXBMAWKMJYEX-UHFFFAOYSA-N 364.423 2.905 5 50 FFBA O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 2503741 MXLKSHWFYLMHNO-UHFFFAOYSA-N 362.363 2.660 5 50 FFBA COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1[N+](=O)[O-] 1059998 LXSLUZYEXYDEFR-UHFFFAOYSA-N 357.366 2.994 5 50 FFBA CCCCN1C=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1 2838788 SVVCRNKJVMHPSI-UHFFFAOYSA-N 374.393 2.908 5 50 FFBA COc1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4901100 VRAUMVFKGVMFIU-NYYWCZLTSA-N 367.405 2.965 5 50 FFBA COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1 170664050 AKLMTCGIMJQNNS-WOJBJXKFSA-N 369.421 2.693 5 50 FFBA Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)c1 2829682 IAHFSYZURXZZIJ-UHFFFAOYSA-N 367.361 2.836 5 50 FFBA CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4777015 PYNMSDZSXQLGKT-HNNXBMFYSA-N 357.370 2.819 5 50 FFBA O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1)C1(N=N1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1-2 103940550 JWJGZOULUOKBBO-UHFFFAOYSA-N 372.209 2.967 5 50 FFBA O=C(Nc1ccc(F)cc1)c1nc[nH]c1C(=O)Nc1ccccc1[N+](=O)[O-] 4689817 NKOGVOYFHSQZEN-UHFFFAOYSA-N 369.312 2.962 5 50 FFBA CCN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 229581105 PQITVPCOANDADM-ZIAGYGMSSA-N 355.460 2.639 5 50 FFBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 4998213 IVCCGMNRWPGBMX-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA CN(C)CCCN(CCCN(C)C)Cc1ccc(Cl)c([N+](=O)[O-])c1 3682117 IYSVFTWWRVZJTI-UHFFFAOYSA-N 356.898 2.954 5 50 FFBA COc1cc([N+](=O)[O-])c(OC)cc1NS(=O)(=O)c1ccc(C)cc1 3878211 BNIOLXIRWAZIFB-UHFFFAOYSA-N 352.368 2.721 5 50 FFBA COc1cc([C@@H]2SCC(=O)N2Cc2ccco2)cc([N+](=O)[O-])c1O 36047562 CJZTWMBUCBKSKP-HNNXBMFYSA-N 350.352 2.676 5 50 FFBA O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1CCCO 4093749 OVVLEMVSRJFGFS-DHZHZOJOSA-N 351.362 2.858 5 50 FFBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCC[C@@H]2[C@@]1(O)C(F)(F)F 1212554 JMNAMCJDPQGZKJ-SMDDNHRTSA-N 357.288 2.848 5 50 FFBA O=C(NCCc1nc[nH]n1)c1ccccc1Sc1ccccc1[N+](=O)[O-] 442715319 BHYZIPKXAMWRTP-UHFFFAOYSA-N 369.406 2.837 5 50 FFBA COc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 834247 MPGXYBFNADPTIS-UHFFFAOYSA-N 355.394 2.874 5 50 FFBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnnn1-c1ccccc1 4827355 IKIUNRYINPHODS-UHFFFAOYSA-N 370.394 2.610 5 50 FFBA CC(C)OC(=O)CNc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 252548724 QHPSFQQASBMXOE-UHFFFAOYSA-N 351.237 2.885 5 50 FFBA C[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663476 MCUKTXHBDIWXGN-HNNXBMFYSA-N 355.394 2.711 5 50 FFBA O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c(Br)cnn12 20605848 AKPHVZLTEOTREC-UHFFFAOYSA-N 363.127 2.765 5 50 FFBA Cc1c(CC(=O)N(C)CCCN(C)Cc2ccncc2)cccc1[N+](=O)[O-] 328591902 SBKLSUPCYQRZCK-UHFFFAOYSA-N 370.453 2.821 5 50 FFBA CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20608167 CPQRHFOKUKFTDA-UHFFFAOYSA-N 366.443 2.639 5 50 FFBA CCOc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 5028136 UKCLBBXGBLYMRR-CYBMUJFWSA-N 369.377 2.985 5 50 FFBA CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C 1122416 BIPDNXLDNRZSSG-UHFFFAOYSA-N 356.334 2.901 5 50 FFBA COc1ccc([C@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 4601139 RZLMHMXRTKGMJM-AWEZNQCLSA-N 374.349 2.558 5 50 FFBA COC(=O)c1cc(C(=O)Nc2ccc(OC)cc2OC)cc([N+](=O)[O-])c1 1097969 ZJQCUQZKJGVMOB-UHFFFAOYSA-N 360.322 2.651 5 50 FFBA CCOC(=O)c1ccccc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 1206529 KEUXLTCDNYXNEW-UHFFFAOYSA-N 372.333 2.810 5 50 FFBA Cc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 4828580 ZOHKFPGYJVMAQK-UHFFFAOYSA-N 367.361 2.918 5 50 FFBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1 4188640 DCAJIQOBDLQMJU-XNTDXEJSSA-N 373.434 2.718 5 50 FFBA COc1ccc2[nH]/c(=N/C(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 9111457 QZOCGWMMMVDSPF-UHFFFAOYSA-N 359.363 2.896 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@H]2C)[C@H]34 252441097 GADHYTDTGWDBMW-QXMHSIBRSA-N 353.486 2.930 5 50 FFBA COc1ccc(CNC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC 15330790 QFWGAEPABZVWRU-LBPRGKRZSA-N 360.366 2.696 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@]15[C@@H]2C)[C@H]34 252460516 GADHYTDTGWDBMW-KHAGKQQVSA-N 353.486 2.930 5 50 FFBA biogenic O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 5799344 XPPQQBKYDCIWIE-UHFFFAOYSA-N 373.369 2.533 5 50 FFBA Cc1cc(C)n(Cc2ccc(NC(=O)c3c([N+](=O)[O-])c(C)nn3C)cc2)n1 653469 IQONDRRSCZJQFY-UHFFFAOYSA-N 368.397 2.751 5 50 FFBA O=C(c1ccc(O)c([N+](=O)[O-])c1)N1CCO[C@@H](CCc2ccccc2)C1 120127297 UPYUMAFDINAPAW-INIZCTEOSA-N 356.378 2.774 5 50 FFBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ncccn3)CC2)o1 23280591 PCWAJIXBVMUSEX-UHFFFAOYSA-N 365.393 2.967 5 50 FFBA COC(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)cc([N+](=O)[O-])c1 1097968 OKKQTNSXXUKZQW-UHFFFAOYSA-N 360.322 2.651 5 50 FFBA COc1ccc(C=O)cc1Cn1nc([N+](=O)[O-])c(Br)c1C 1088624 HLUMMWOBUTUHOW-UHFFFAOYSA-N 354.160 2.732 5 50 FFBA CCN(Cc1c(C)nn(CC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602078 BZAQMDJUZQPSJA-UHFFFAOYSA-N 366.443 2.639 5 50 FFBA CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2ncnc2N1 4777016 PYNMSDZSXQLGKT-OAHLLOKOSA-N 357.370 2.819 5 50 FFBA COc1ccccc1NC(=O)COc1ccc(/C=C\[N+](=O)[O-])cc1OC 4844871 HZLQAFLPOXBDTG-KTKRTIGZSA-N 358.350 2.969 5 50 FFBA CCOC(=O)Cc1csc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)n1 16671819 CWQXJBVFJGEMMP-SREVYHEPSA-N 361.379 2.809 5 50 FFBA O=[N+]([O-])c1ccn(C(=S)Nc2cnn(Cc3ccccc3Cl)c2)n1 2802534 XEODITMINQITSR-UHFFFAOYSA-N 362.802 2.935 5 50 FFBA Cc1cc(OCc2nnc(S)n2C[C@@H]2CCCO2)ccc1[N+](=O)[O-] 17072692 GNJDQPIBRWZMTF-LBPRGKRZSA-N 350.400 2.541 5 50 FFBA COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1OC 4663733 QAEPRMCWMSPOGH-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA O=C(CCn1ccc([N+](=O)[O-])n1)Nc1c(F)c(F)c(F)c(F)c1F 2781940 YQCGZYSMNFWJCL-UHFFFAOYSA-N 350.203 2.516 5 50 FFBA CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4123421 FGHWEGQGQKMRTB-UHFFFAOYSA-N 358.398 2.859 5 50 FFBA CC(C)Oc1cccc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 169031085 XHOBRDVNKLHWPQ-UHFFFAOYSA-N 370.409 2.739 5 50 FFBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1 1151320 BBQPVCOPUSTFPN-UHFFFAOYSA-N 350.318 2.565 5 50 FFBA O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4677714 NWDFJWRJLFKXRQ-UHFFFAOYSA-N 367.365 2.617 5 50 FFBA COc1ccccc1N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 4820598 ZZLBBWJKTDGVIU-UHFFFAOYSA-N 356.382 2.958 5 50 FFBA COc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 1174204 BTWVFJHSSTZLQY-UHFFFAOYSA-N 361.379 2.739 5 50 FFBA Cc1cc(=O)oc2ccc(OC(=O)COc3ccccc3[N+](=O)[O-])cc12 2725706 VXNNXRYNZJDWMM-UHFFFAOYSA-N 355.302 2.994 5 50 FFBA C[C@@H](CCc1ccccc1)Nc1c([N+](=O)[O-])nn(-c2ccccc2)[n+]1[O-] 4807394 UEVHHEURSMYBKQ-AWEZNQCLSA-N 353.382 2.847 5 50 FFBA COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)cc1NC(C)=O 790039 KGBLHZRMMORURV-UHFFFAOYSA-N 359.338 2.823 5 50 FFBA COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 1074018 OSXZYMWRINDRCS-UHFFFAOYSA-N 370.770 2.836 5 50 FFBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1Br 239309627 HTJWAVURXJMVGD-GYBADROVSA-N 363.167 2.669 5 50 FFBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1C(=O)O 5013871 WGXPBDJUYHMZKT-UHFFFAOYSA-N 350.714 2.964 5 50 FFBA COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc([N+](=O)[O-])cc2)N1 34792220 PMTFLAWFQMHLPS-IRXDYDNUSA-N 351.362 2.853 5 50 FFBA O=C(Nc1ccccc1)OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 52521490 MPTLPGCHHHWANV-UHFFFAOYSA-N 370.409 2.966 5 50 FFBA Cc1ccc(S(=O)(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1 4689118 YQOORQKCMBVZMV-UHFFFAOYSA-N 369.830 2.947 5 50 FFBA CCCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5050167 VDLCEFPRQKOQOS-UHFFFAOYSA-N 363.395 2.535 5 50 FFBA Nc1ncc(Br)cc1CNc1ncc([N+](=O)[O-])cc1Cl 225814610 MOLIBYHQKOSPAP-UHFFFAOYSA-N 358.583 2.995 5 50 FFBA Cc1onc(C(=O)N2CCSCC2)c1COc1ccc([N+](=O)[O-])cc1 13641269 LNMPHZZVSBGQHG-UHFFFAOYSA-N 363.395 2.659 5 50 FFBA CC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1133823 ZOTGSIFZIPCSGL-UHFFFAOYSA-N 363.395 2.534 5 50 FFBA CC(C)(C)OC(=O)N1CCC(Nc2ccc([N+](=O)[O-])cc2)(C(=O)O)CC1 1772572625 ZEIMKHJNDYWBGQ-UHFFFAOYSA-N 365.386 2.861 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 727748 MYZVMAFTZLDEEG-UHFFFAOYSA-N 367.361 2.918 5 50 FFBA Cc1c(N(C)C(=O)c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 1186145 JGCWSSQRJGKTAB-UHFFFAOYSA-N 366.377 2.669 5 50 FFBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15[C@@H]2C)[C@@H]34 252441099 GADHYTDTGWDBMW-VQFPKRBXSA-N 353.486 2.930 5 50 FFBA CS(=O)(=O)c1cc([N+](=O)[O-])c(OC(F)(F)F)cc1Br 95496049 KCHRASZRDOIERM-UHFFFAOYSA-N 364.095 2.659 5 50 FFBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)O[C@@]12CCOC(C)(C)C2 1133612 HHSBXLGQZNIDHW-SCLBCKFNSA-N 362.382 2.733 5 50 FFBA COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248380504 QGGLTQNMBCTCLA-ZJQBRPOHSA-N 354.428 2.706 5 50 FFBA COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCCC2)c1=N 100627823 QJTGKDIVEWZIMG-UHFFFAOYSA-N 366.421 2.729 5 50 FFBA Cc1cc(Br)c(S(=O)(=O)n2c([N+](=O)[O-])cnc2C)cc1C 170615099 KRUVCHGTSAQKLJ-UHFFFAOYSA-N 374.216 2.716 5 50 FFBA Cc1ccc(Cn2nc(C)c(NC(=O)c3nn(C)cc3[N+](=O)[O-])c2C)cc1 2756405 QECRLZILIAVYFF-UHFFFAOYSA-N 368.397 2.751 5 50 FFBA Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 225708025 GCOHWULTZHLYCU-UHFFFAOYSA-N 355.303 2.751 5 50 FFBA COc1cc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 19606439 WYWIESAVKJSHDH-UHFFFAOYSA-N 372.381 2.834 5 50 FFBA Cc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] 4012967 CPANCVYKQQCIIG-UHFFFAOYSA-N 370.814 2.914 5 50 FFBA Cc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1[N+](=O)[O-] 4757888 SKTSTCFWDPIURZ-UHFFFAOYSA-N 354.410 2.907 5 50 FFBA CC(C)[C@H]1CN(C)CCN1C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 154011682 PWRBFZODPJTKKC-GOSISDBHSA-N 360.458 2.607 5 50 FFBA C[C@]12CCN(c3cc(CN4CCOCC4)ccc3[N+](=O)[O-])C[C@@H]1C2(F)F 488439214 ZETHJEMWZDJGNI-IRXDYDNUSA-N 367.396 2.909 5 50 FFBA C=CC(=O)N(C)c1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 2325889672 IBFSSYAPBHQYFQ-UHFFFAOYSA-N 351.362 2.947 5 50 FFBA O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1F 3399203 XWJGBHHMPXGZMH-UHFFFAOYSA-N 368.342 2.696 5 50 FFBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 820536 KOFRKMPTJWTECN-QGZVFWFLSA-N 367.361 2.966 5 50 FFBA COc1ccc(-n2nc([N+](=O)[O-])c(Nc3cccc(C)c3C)[n+]2[O-])cc1 4758852 CPHYOMXXUIWQHE-UHFFFAOYSA-N 355.354 2.783 5 50 FFBA CC1=C(C(=O)O[C@@H]2CCC[C@H]2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 239159688 MPOGNXFBWLAWGZ-HQQWDMGQSA-N 359.382 2.955 5 50 FFBA Cc1nc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1I 2857611 BMGQUDYIWNBFAL-UHFFFAOYSA-N 373.106 2.748 5 50 FFBA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 5041565 RWIUGGVTVKLSNN-UHFFFAOYSA-N 370.365 2.711 5 50 FFBA CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 5498694 MSBSMIAOPUQONX-UHFFFAOYSA-N 372.406 2.704 5 50 FFBA C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1NC(=O)OC(C)(C)C 170614768 GYHCJHVMWUHBGW-VHSXEESVSA-N 355.416 2.642 5 50 FFBA CCCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21 1130027 JOGBLIXRZSBREG-IBGZPJMESA-N 354.362 2.812 5 50 FFBA O=[N+]([O-])c1cc2c(cc1CN1CCN(Cc3ccccc3)CC1)OCO2 4978708 PVVKLIZOBXBTER-UHFFFAOYSA-N 355.394 2.641 5 50 FFBA Cc1c(C(=O)N2N=C(C3CC3)C[C@]2(O)C(F)(F)F)cccc1[N+](=O)[O-] 651718 PMYPQFGNTMMJRH-AWEZNQCLSA-N 357.288 2.766 5 50 FFBA CN(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)c1ccc(Cl)cc1 408518182 WGURNPHALYSAHF-CYBMUJFWSA-N 364.833 2.662 5 50 FFBA COc1ccc(C(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 19553153 GRNQXQANLSSAAZ-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1 1064066 OZRQYTMKMOODKZ-UHFFFAOYSA-N 357.139 2.640 5 50 FFBA CC(C)[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 1135049 PXZWHUIBYSXGBD-INIZCTEOSA-N 367.361 2.854 5 50 FFBA COc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 19570441 DIFVTZDHJJYHQI-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 950770 BGJCZCQNWVBJRB-INIZCTEOSA-N 354.366 2.973 5 50 FFBA CN1CCc2c(sc3c2C(=O)N[C@H](/C=C\c2ccc([N+](=O)[O-])cc2)N3)C1 4854421 PXRUSSQOZFNDPD-QZDDGCDVSA-N 370.434 2.839 5 50 FFBA COC(=O)c1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104233822 UTCXICOXOQHJIQ-UHFFFAOYSA-N 362.254 2.941 5 50 FFBA NC(=O)CSc1ccccc1NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 161616948 LFUYPKAKNBTPQU-UHFFFAOYSA-N 370.390 2.906 5 50 FFBA CC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 3880219 DDAMLHABHJOJCI-UHFFFAOYSA-N 368.393 2.516 5 50 FFBA Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1 481969437 XFAHWQQQQCWLHF-UHFFFAOYSA-N 350.352 2.711 5 50 FFBA Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C(=O)O 324965001 YHHXUNMHDYDQFG-UHFFFAOYSA-N 350.352 2.711 5 50 FFBA COc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 4895963 WLKWQUASIVBDJL-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 1232837 MOTQRVGPHVHLKA-QGZVFWFLSA-N 367.361 2.923 5 50 FFBA O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 247329483 OJUBIZLPFHTVPV-FWEDZOCSSA-N 371.437 2.656 5 50 FFBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 3879291 STQYRPAUAWNWLB-UHFFFAOYSA-N 371.393 2.574 5 50 FFBA CC(=O)Nc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 851115 LPRFQXHABVZVAS-UHFFFAOYSA-N 367.317 2.912 5 50 FFBA C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(Br)cc1F 2794306 QUIYLDJCMVWFHM-QMMMGPOBSA-N 371.166 2.968 5 50 FFBA Cc1cccc(OCC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1 19790240 TXSACIWJICVRGO-UHFFFAOYSA-N 369.421 2.626 5 50 FFBA O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1n[nH]cc1[N+](=O)[O-] 6447973 MJESQTYFGAWSJJ-UHFFFAOYSA-N 351.294 2.972 5 50 FFBA CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1ccccc1)C2=O 4727976 CPFFQGYMPDMGJD-KRWDZBQOSA-N 364.361 2.592 5 50 FFBA CC1=C(C(=O)OCc2ccco2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 844462 YYTHXCTWIGEWMU-OAHLLOKOSA-N 357.322 2.559 5 50 FFBA COC(=O)c1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 940111 POKQCBYBVPHYAI-UHFFFAOYSA-N 359.363 2.508 5 50 FFBA CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 3194852 NRFBIGCEOUFZEM-UHFFFAOYSA-N 359.294 2.932 5 50 FFBA COC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(OC)cc1 4903213 FUXNGMKZXYBNPL-WJDWOHSUSA-N 356.334 2.547 5 50 FFBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3ccccc3)n2)cc1 6502401 HWCIVCJHWPPQOA-UHFFFAOYSA-N 358.379 2.640 5 50 FFBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4785252 RTHUCJJXWAAULS-UHFFFAOYSA-N 357.366 2.692 5 50 FFBA C[C@H](CN(Cc1ccccc1)C(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O 485749007 PBKRLXCVHAVLEN-CQSZACIVSA-N 356.378 2.887 5 50 FFBA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2 950769 BGJCZCQNWVBJRB-MRXNPFEDSA-N 354.366 2.973 5 50 FFBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 833035 FYQDPZXRMZZOCL-OAHLLOKOSA-N 357.322 2.656 5 50 FFBA COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc([N+](=O)[O-])cc1 822256 OYKCKTQKFSGCGY-UHFFFAOYSA-N 358.306 2.513 5 50 FFBA Cc1nn(CCCNC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 2796431 BYBWBGCNJGELDG-UHFFFAOYSA-N 367.203 2.682 5 50 FFBA COc1ccc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] 18115974 QWVZQTKGZKJXIP-UHFFFAOYSA-N 371.378 2.759 5 50 FFBA Cc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1[N+](=O)[O-] 4460212 AKRIRJPUWPOVEW-MLPAPPSSSA-N 352.302 2.976 5 50 FFBA COc1cc(OC)cc(C(=O)N[C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)c1 4581226 DHIIWFGOKXLNRI-INIZCTEOSA-N 374.349 2.558 5 50 FFBA biogenic,in-vitro CSc1cccc(NC(=O)Cn2cc(Br)c([N+](=O)[O-])n2)c1 1125770 WXYIWVUKIXHYQC-UHFFFAOYSA-N 371.216 2.914 5 50 FFBA CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 1858835 IDDACQXORKKQSH-UHFFFAOYSA-N 356.334 2.901 5 50 FFBA O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(F)(F)F 6700760 SNTKABFEXCLYIE-UHFFFAOYSA-N 371.237 2.825 5 50 FFBA C[C@H]1CN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)C[C@H](C)O1 239782573 CPHLIVBUPMAJGM-STQMWFEESA-N 356.382 2.856 5 50 FFBA Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 1427618 HMHMPPHSHXVNIE-CQSZACIVSA-N 350.330 2.888 5 50 FFBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 1049092 GDXXJINLJNCHJR-CYBMUJFWSA-N 369.377 2.903 5 50 FFBA CN(C)CCOc1ccc2oc3ccc(OCCN(C)C)cc3c(=O)c2c1 4392754 BUHPVKSIJYDUFM-UHFFFAOYSA-N 370.449 2.827 5 50 FFBA O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4964733 GNDDAJZIDWBMGU-RTLPCREESA-N 358.394 2.994 5 50 FFBA O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccco1 1216869 CKCZLBLFKLPAKD-DTQAZKPQSA-N 369.377 2.971 5 50 FFBA COc1ccccc1C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19568787 SNIQBFQFFDQBKX-UHFFFAOYSA-N 355.394 2.561 5 50 FFBA O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1 4264108 DHANKIRGNBQRIS-UHFFFAOYSA-N 365.389 2.795 5 50 FFBA CN(CCCCNC(=O)c1cc([N+](=O)[O-])c(N)cc1F)c1ccccc1 253405950 UMUOZRZNZWWSHN-UHFFFAOYSA-N 360.389 2.963 5 50 FFBA