smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1 755169 CDSDFESJHOWIEW-UHFFFAOYSA-N 360.435 3.238 5 50 FGBA COc1ccccc1N1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 1141152 YEFOAILQQGAJPA-HNNXBMFYSA-N 369.421 3.056 5 50 FGBA CSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 822505 NTXFPOMVERXHTG-ZDUSSCGKSA-N 357.351 3.265 5 50 FGBA COc1cc(C=O)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1Cl 1164184 QNTOIONUSDNXRF-UHFFFAOYSA-N 365.725 3.297 5 50 FGBA COC(=O)c1cc(C(=O)N[C@@H](C)CCc2ccccc2)cc([N+](=O)[O-])c1 1138006 AWSGZCGUYDNFRE-ZDUSSCGKSA-N 356.378 3.133 5 50 FGBA COc1cc2c(cc1OC)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C=C2 1399808 ZPGAKFJCFLOHRL-UHFFFAOYSA-N 354.362 3.168 5 50 FGBA Cn1nc(-c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4140753 YWDOPXPKXVLFPR-UHFFFAOYSA-N 364.405 3.499 5 50 FGBA COc1ccc([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 845484 LHEPONHKXUJJJK-SFHVURJKSA-N 374.418 3.500 5 50 FGBA CCOc1ccc(NC(=S)NC(=O)c2cccs2)c([N+](=O)[O-])c1 4601228 BQOGHHPBBSCECK-UHFFFAOYSA-N 351.409 3.182 5 50 FGBA O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H](CN2CCOCC2)C1 252494669 OBMPDNIPVDHJPH-NSHDSACASA-N 360.241 3.060 5 50 FGBA CCCc1nc2ccccc2n1C[C@H](O)COc1ccc([N+](=O)[O-])cc1 1201641 UFGVLNCDAVXEOI-HNNXBMFYSA-N 355.394 3.337 5 50 FGBA CCCC12CN3CC(CCC)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2=O 19323909 YUVGLWABFWSIQN-UHFFFAOYSA-N 357.454 3.380 5 50 FGBA biogenic Cc1ccc(C(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 2990723 WBAMYELCWVQWFX-UHFFFAOYSA-N 355.346 3.292 5 50 FGBA Cc1ccc(Nc2nc(N3CCOCC3)nc(C)c2[N+](=O)[O-])cc1Cl 4143257 HNSDJHTVJDSREV-UHFFFAOYSA-N 363.805 3.235 5 50 FGBA CC(=O)Nc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 3876417 DXKLFVCMHQPLSS-UHFFFAOYSA-N 369.786 3.007 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2c(=O)n3ccccc3nc2s1 4605103 LOVVPMWAHUSQSJ-UHFFFAOYSA-N 366.358 3.070 5 50 FGBA CC1(C)CC(=O)c2c(O)cc(OCC(=O)c3cccc([N+](=O)[O-])c3)cc2O1 1050271 PUBUJTLPIQKFEL-UHFFFAOYSA-N 371.345 3.306 5 50 FGBA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 4005978 IEHGKZVJRYDEMQ-QUCCMNQESA-N 365.389 3.473 5 50 FGBA Cc1cccc2sc(NC(=O)[C@@H](C)Cn3nc([N+](=O)[O-])cc3C)nc12 2788143 VFNGYKNBGZWPGD-JTQLQIEISA-N 359.411 3.293 5 50 FGBA Cc1cc([N+](=O)[O-])ccc1-c1nc([C@H]2CC(=O)N(c3ccccc3)C2)no1 371976558 ANPDPBSEFOUIDC-ZDUSSCGKSA-N 364.361 3.474 5 50 FGBA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 241446926 NPRBXPWJZGHYOU-JSRQGNBESA-N 366.421 3.335 5 50 FGBA CCOc1ccccc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 778126 ACBPYAICSTYXKA-UHFFFAOYSA-N 354.318 3.352 5 50 FGBA CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1189048 ZENCHNPYALUEBP-MRXNPFEDSA-N 359.382 3.099 5 50 FGBA O=C(CSCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1 2873286 NXGRQCNYVWAHBS-UHFFFAOYSA-N 363.370 3.044 5 50 FGBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 470493643 WEAZXPLUVGQKTB-SNVBAGLBSA-N 352.416 3.331 5 50 FGBA O=C(NC1CCN(Cc2ccccc2)CC1)OCc1ccc([N+](=O)[O-])cc1 5736726 SMFQSDHOJOKIKV-UHFFFAOYSA-N 369.421 3.486 5 50 FGBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1C[C@@H]1CCCO1 1208066 YWFIAUBBOAMFLM-HNNXBMFYSA-N 368.345 3.162 5 50 FGBA COc1ccc(-c2nnc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)s2)cc1 3613460 HARDTEYPHUPALB-UHFFFAOYSA-N 370.390 3.303 5 50 FGBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc([N+](=O)[O-])c1 2101761 HUXGTDPVWWLSAT-UHFFFAOYSA-N 351.702 3.417 5 50 FGBA COC(=O)c1ccc(N2CCN(c3c(C)cccc3C)CC2)c([N+](=O)[O-])c1 4054087 QIPGYHMDIANCDR-UHFFFAOYSA-N 369.421 3.325 5 50 FGBA C[C@H]1Cc2ccccc2N1C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1055342 OZTLZGVSLJYNOU-NSHDSACASA-N 350.330 3.293 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)cc1 1116610 CZFALSSPINDBFL-UHFFFAOYSA-N 361.206 3.380 5 50 FGBA Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 162818192 UJTKYVLFKPWGNE-FXAWDEMLSA-N 368.437 3.418 5 50 FGBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc1 19810083 OJVSLDZJERQPIN-UHFFFAOYSA-N 356.451 3.109 5 50 FGBA O=C(COc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 862943 UBGOCXDFQFDFMC-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 4980924 ZMZNPVCBMMHXQY-HWKANZROSA-N 368.393 3.338 5 50 FGBA NC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 671469 JWCDZXIXZPQUDK-UHFFFAOYSA-N 359.407 3.276 5 50 FGBA O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1 1153189 IQTLPINOMUQIQU-UHFFFAOYSA-N 354.284 3.309 5 50 FGBA COc1cccc(-c2noc(CCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 2224496 LGGSWZWNUANCQH-UHFFFAOYSA-N 368.349 3.225 5 50 FGBA Cc1cc(OCCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 2881608 ZOZZSEQNQKZZGQ-UHFFFAOYSA-N 369.465 3.490 5 50 FGBA Cc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc12 4368252 LXAZMDULMLHIJP-GFCCVEGCSA-N 368.345 3.416 5 50 FGBA COC(=O)c1c(NC(=O)/C=C/c2ccc([N+](=O)[O-])o2)sc2c1CCC2 667231 GFHQDGLDKNOULV-FNORWQNLSA-N 362.363 3.177 5 50 FGBA CSCC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O 170612800 XWHHAICMKBDRGJ-AWEZNQCLSA-N 350.396 3.151 5 50 FGBA O=C(OCc1cc(C(F)(F)F)n[nH]1)c1c[nH]c2cc([N+](=O)[O-])ccc12 225857198 GYHCNEHFMJFBOD-UHFFFAOYSA-N 354.244 3.175 5 50 FGBA COc1ccc([C@H]2NC(=O)NC3=C2CCc2ccccc23)cc1[N+](=O)[O-] 1109637 ZJKZXSOVMJUGKD-QGZVFWFLSA-N 351.362 3.315 5 50 FGBA O=C(COc1ccc(Br)cc1)Oc1cccc([N+](=O)[O-])c1 1177308 HZPVXUAMHLTOBX-UHFFFAOYSA-N 352.140 3.342 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2979313 BRAUYFPVVYZKJF-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC[C@H](C)NC(=O)C(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-] 225501011 FWPSVBXYXDVAIT-VIFPVBQESA-N 358.236 3.463 5 50 FGBA CCOC(=O)C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 4653449 OHQNFVOWSPMMHA-INIZCTEOSA-N 356.378 3.328 5 50 FGBA COc1cccc(OC)c1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 951557 HQWSTAGDRNWWEZ-UHFFFAOYSA-N 359.363 3.474 5 50 FGBA O=C(Nc1ccc2c(c1)CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 20458066 DCBBWHODVATKNB-UHFFFAOYSA-N 366.421 3.438 5 50 FGBA O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])c(F)c1 4163237 CIIQNKSFLUHSOR-AWEZNQCLSA-N 361.354 3.176 5 50 FGBA O=C(O)[C@@H]1CS[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 4974173 AATLPWJCAZWWPS-TVQRCGJNSA-N 354.771 3.296 5 50 FGBA Cc1cc(N2CCN(C(=O)c3cccs3)[C@H](C)C2)c(F)cc1[N+](=O)[O-] 4622593 WEOZQAWNNVGGNB-GFCCVEGCSA-N 363.414 3.455 5 50 FGBA COC(=O)c1cc(C)nc(N2CC(C)(C)[C@@H]2c2ccncc2)c1[N+](=O)[O-] 292641377 FWHANYXQEZJBEZ-HNNXBMFYSA-N 356.382 3.067 5 50 FGBA O=c1[nH]nc(-c2ccc(N3CCSCC3)c([N+](=O)[O-])c2)c2ccccc12 35966898 MLVAMINBBGZUKB-UHFFFAOYSA-N 368.418 3.052 5 50 FGBA Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)n1 1001152 YFHWDFSHOGJEEG-UHFFFAOYSA-N 363.786 3.358 5 50 FGBA aggregator COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c(=O)oc12 1052505 RBSPWTMPPNTTTJ-QMTHXVAHSA-N 360.366 3.018 5 50 FGBA COc1cc(C(=O)N[C@H](C)CCc2ccccc2)c([N+](=O)[O-])cc1OC 1151358 BNPOKTNUEIAGOY-CYBMUJFWSA-N 358.394 3.363 5 50 FGBA CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4566267 VGFDUXNDMUMYHD-UHFFFAOYSA-N 358.310 3.087 5 50 FGBA in-vitro CN(C[C@H]1CCCCO1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 67676763 FJDYNZJQDFRHJP-CQSZACIVSA-N 350.418 3.322 5 50 FGBA Cc1cccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 4181135 ZRDDDLMFVDMLDV-UHFFFAOYSA-N 357.410 3.231 5 50 FGBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4819180 TXSQSQGAQOEQAC-UHFFFAOYSA-N 351.815 3.272 5 50 FGBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccncc1)c1ccccc1 3073201 HECMJZZUJQCZRM-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(=O)N(c2ccccc2)C1 4810850 QZJRJZXVJXSYAR-NSHDSACASA-N 359.769 3.240 5 50 FGBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 247857218 UQBAKTVALYMRNV-KMUNFCNLSA-N 366.801 3.195 5 50 FGBA C[C@H]1[C@H](OC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H]2C[C@H]1C2(C)C 240934407 JBWKWXXDDRGBNN-NLRBGTRBSA-N 374.393 3.117 5 50 FGBA CC(C)CC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4821106 FGQMWCDSUZBUHM-UHFFFAOYSA-N 359.348 3.308 5 50 FGBA Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cn2)cccc1[N+](=O)[O-] 1183537 QMYNOAIGZPUBAQ-UHFFFAOYSA-N 350.787 3.078 5 50 FGBA CCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2485197 BTOIHMAYNZGNOT-UHFFFAOYSA-N 369.424 3.013 5 50 FGBA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 4005977 IEHGKZVJRYDEMQ-UYAOXDASSA-N 365.389 3.473 5 50 FGBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4143583 IDCAHWSIHZFUGK-UHFFFAOYSA-N 372.450 3.193 5 50 FGBA Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1 1058022 YPAPHTJHIREKPH-UHFFFAOYSA-N 360.420 3.427 5 50 FGBA CCCN(C(=O)c1cnc(O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc2C1 170600418 QTAUITFDXGNFNU-INIZCTEOSA-N 355.394 3.105 5 50 FGBA O=C(Nc1ccc(I)cc1)c1ccccc1[N+](=O)[O-] 1228298 MUVUXTIOHCKPKG-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 3899164 CGYVIPZWIMYSQA-UHFFFAOYSA-N 355.394 3.106 5 50 FGBA C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 173430979 RFXPWQQFSFAQKW-SNVBAGLBSA-N 355.320 3.166 5 50 FGBA CCOC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 244764081 PBCGKBLCCNXYEK-SQNIBIBYSA-N 352.394 3.384 5 50 FGBA CCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 1149141 VPXZFODFHWJRGJ-UHFFFAOYSA-N 363.370 3.259 5 50 FGBA CCOC(=O)c1cccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 1180804 UXTCQILSPJVALP-UHFFFAOYSA-N 374.349 3.041 5 50 FGBA Cc1nn([C@@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c(C)c1[N+](=O)[O-] 695865 IDZHOVTWFOUACH-LBPRGKRZSA-N 370.365 3.023 5 50 FGBA Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1[N+](=O)[O-] 1175884 QMNSSCUNZWASPT-UHFFFAOYSA-N 353.378 3.392 5 50 FGBA O=C(CCS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 732298 OKMLBKHAHPWTGH-UHFFFAOYSA-N 353.783 3.295 5 50 FGBA Cc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]2CC(=O)N(c3ccccc3)C2)no1 371976557 ANPDPBSEFOUIDC-CYBMUJFWSA-N 364.361 3.474 5 50 FGBA CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCCN1C 421710406 KKZTWRATDONEKG-CQSZACIVSA-N 351.472 3.262 5 50 FGBA CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 4807458 ZSRYPCYFWAESRU-UHFFFAOYSA-N 358.350 3.132 5 50 FGBA COc1cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc(OC)c1OC 1154802 ZGPZSXGIYMYNBB-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2Br)c1 4353986 FBQIECKOVXUXKF-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA CCOC(=O)c1ccc(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)cc1 1429836 BDONNGOGZFXMPP-UHFFFAOYSA-N 374.397 3.004 5 50 FGBA CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(c2ccc(Br)cc2[N+](=O)[O-])[C@H]31 253417662 YMMUIKIOWRTTDR-IOJWWUGISA-N 353.216 3.217 5 50 FGBA Cc1nc(N2CCC3(CCC3)C2)nc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] 302820330 JPNZNZNFYISPEE-UHFFFAOYSA-N 357.458 3.454 5 50 FGBA Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)c1 863318 OBPMLWLFNCVJFM-INIZCTEOSA-N 364.448 3.340 5 50 FGBA COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 4274635 LYQDSNOFTIZWAX-UHFFFAOYSA-N 358.379 3.211 5 50 FGBA in-vitro Nc1nc(N[C@H]2C[C@H]3CC[C@H]2C3)sc1C(=O)c1ccccc1[N+](=O)[O-] 1848350488 JRNXAQINDCOHGS-NHCYSSNCSA-N 358.423 3.465 5 50 FGBA Cc1sc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc(=O)c2c1C 2665414 VRSUSBGARJSZFC-UHFFFAOYSA-N 361.404 3.495 5 50 FGBA CCOC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4982270 PBCGKBLCCNXYEK-KSZLIROESA-N 352.394 3.384 5 50 FGBA COc1ccc(NC(=O)CSc2nncc3ccccc23)c([N+](=O)[O-])c1 4698049 LOYLDUZOVWMXLZ-UHFFFAOYSA-N 370.390 3.277 5 50 FGBA COC(=O)c1sc2ncn3nc(-c4ccccc4[N+](=O)[O-])nc3c2c1C 2792507 AHUGYWQYJRYMBT-UHFFFAOYSA-N 369.362 3.009 5 50 FGBA O=C(O[C@@H]1[C@H]2C=C[C@@]13CC[C@H]1C[C@]13C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 257355937 DSXZCJUYVNKFJF-FRBRBFLFSA-N 356.334 3.405 5 50 FGBA CCCN(C(=O)c1cnc(O)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc2C1 170600417 QTAUITFDXGNFNU-MRXNPFEDSA-N 355.394 3.105 5 50 FGBA COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2c1 5101454 GEUAPWIBUIMRCZ-UHFFFAOYSA-N 354.318 3.271 5 50 FGBA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1 5791192 QBQXYTOBYCFJJB-OTYXRUKQSA-N 362.411 3.243 5 50 FGBA CCN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1 949108 ZFUAZTFVNOJBCY-UHFFFAOYSA-N 363.421 3.347 5 50 FGBA C[C@H](OC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4310073 DLWXXKOWEZZOQY-ZDUSSCGKSA-N 370.361 3.128 5 50 FGBA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 52537453 FHURAEQGIWGWSV-UHFFFAOYSA-N 374.828 3.009 5 50 FGBA C[N@@+]12CCCC[C@@H]1[C@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 252462696 VKUSZJSOAHGCMP-CECAUBDESA-N 356.442 3.359 5 50 FGBA biogenic O=[N+]([O-])c1ccc(C2=[N+]3CCCCCN3[C@@](O)(c3ccccc3)C2)cc1 5738285 COWBRUNJVSTFDB-FQEVSTJZSA-N 352.414 3.046 5 50 FGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC(Cl)=CC[C@H]1C(=O)O 4918921 XPYKNMWDXPRBSB-ZJUUUORDSA-N 359.165 3.420 5 50 FGBA O=C(NCCCSc1ccc(F)cc1)c1ccc(O)cc1[N+](=O)[O-] 170595757 PDKYRTYFQWSDBW-UHFFFAOYSA-N 350.371 3.352 5 50 FGBA C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 4728047 BOELGVQSXDLTQD-SNVBAGLBSA-N 352.799 3.388 5 50 FGBA COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1 225554112 NTRDGBFBOAJKAU-UHFFFAOYSA-N 360.750 3.197 5 50 FGBA O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 4902020 WMPNYXAFYAGSID-UHFFFAOYSA-N 365.139 3.308 5 50 FGBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 5447438 QYHGDUIFCYJAES-MJGOQNOKSA-N 351.406 3.351 5 50 FGBA CCOC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 2141180 FLRXQGNJLSHYRY-SECBINFHSA-N 357.577 3.416 5 50 FGBA N[C@@H](Cc1cc2ccccc2o1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 2325854022 LDKCMBNPHGYMSX-INIZCTEOSA-N 373.796 3.181 5 50 FGBA CC1(C)c2ccccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 825610 FGJPKPQMQFZPJY-HXUWFJFHSA-N 352.390 3.487 5 50 FGBA in-vitro CC[N@+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 253387947 WPUKUEMZZRVAKZ-NZQKXSOJSA-N 354.470 3.095 5 50 FGBA in-man COc1ccc([N+](=O)[O-])cc1C(=O)NCCOc1ccc(Cl)cc1 2810477 HBYLTSVRVCYNLD-UHFFFAOYSA-N 350.758 3.066 5 50 FGBA O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3904040 RRPAWVRLDCZSHH-UHFFFAOYSA-N 351.362 3.303 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccccc1OC 4342348 HIPBMJUYBOCCQA-UHFFFAOYSA-N 360.366 3.410 5 50 FGBA O=C(NCCNc1ccc(Cl)cc1[N+](=O)[O-])c1c(F)cccc1F 4870014 OFIKWOGFEQLYJJ-UHFFFAOYSA-N 355.728 3.368 5 50 FGBA C[C@@H]1S[C@@H](c2ccccc2)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O 13571512 VVJVBHDXKCTNIB-XZOAIXRZSA-N 358.419 3.291 5 50 FGBA O=C(c1ccccc1Br)c1cc2c(cc1[N+](=O)[O-])OCCO2 910862 ROLVDPGCWVQZPQ-UHFFFAOYSA-N 364.151 3.360 5 50 FGBA CC(=O)Oc1ccc2nc(-c3ccc([N+](=O)[O-])cc3Cl)oc(=O)c2c1 1066742 XMSZFBSQCNYDNM-UHFFFAOYSA-N 360.709 3.342 5 50 FGBA CN(Cc1cc(Br)cs1)C(=O)c1cc(O)ccc1[N+](=O)[O-] 234285777 YNXPMVOVCZZGGY-UHFFFAOYSA-N 371.212 3.397 5 50 FGBA COc1ccccc1/C=C/CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4981048 OWLVVPOFSCXYJE-GQCTYLIASA-N 353.422 3.439 5 50 FGBA Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Br 805404 LYVJPHZGXAVXSN-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA CC(C)(C)OC(=O)N1CCC(n2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 34927164 JJEFWWNQLXIMJW-UHFFFAOYSA-N 363.370 3.075 5 50 FGBA CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 4688322 ZBVOTXGYWHBXGW-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA COCCc1noc(CN(C)c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 127034846 DWYAHEWREHXKJW-UHFFFAOYSA-N 361.185 3.110 5 50 FGBA CCO[C@@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C12CCC2 154894322 BKTIRKNOJZSHNT-IAGOWNOFSA-N 359.426 3.263 5 50 FGBA Cc1cc(C)n(-c2nc3ccc([N+](=O)[O-])cc3nc2-n2nc(C)cc2C)n1 1058939 PKIYOVGRMXGCGW-UHFFFAOYSA-N 363.381 3.143 5 50 FGBA COc1cc2c(cc1OC)[C@H](C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 4026911 XFFHLKFEYXGVGD-UGSOOPFHSA-N 372.421 3.265 5 50 FGBA biogenic COCCn1nc(C)c(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)c1C 253415765 XDECXZKPDZLFTM-UHFFFAOYSA-N 365.365 3.146 5 50 FGBA COC(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 1097985 PSOCGRSPVSUGOJ-UHFFFAOYSA-N 352.705 3.426 5 50 FGBA Cn1c(-c2cccc(Cl)c2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157491 BODHWVZGIKLURX-UHFFFAOYSA-N 370.796 3.418 5 50 FGBA Cc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1[N+](=O)[O-] 20149330 ZMKAYBSGWPHROQ-VMPITWQZSA-N 365.433 3.374 5 50 FGBA O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1C[C@H]1CCCO1 1208065 YWFIAUBBOAMFLM-OAHLLOKOSA-N 368.345 3.162 5 50 FGBA O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(Br)c1 301803910 DIQHVGGJBXQXGC-JLLWLGSASA-N 354.204 3.122 5 50 FGBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCCCC1 5028708 TVUJYGJBBOCADG-UHFFFAOYSA-N 367.471 3.150 5 50 FGBA Cc1cccc(S(=O)(=O)N2CCS[C@H]2c2cccc([N+](=O)[O-])c2)c1 1195631 KVPJXUIIUIHCDP-INIZCTEOSA-N 364.448 3.340 5 50 FGBA COc1cc(-c2nnc3ccc(C(F)(F)F)cn23)c([N+](=O)[O-])cc1OC 4181626 RJAWTPIKKSWDBQ-UHFFFAOYSA-N 368.271 3.341 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 1107219 AEJVIQOOHVSVHV-KRWDZBQOSA-N 366.373 3.216 5 50 FGBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 52537616 QZVKQMVNMZBGJN-UHFFFAOYSA-N 374.828 3.009 5 50 FGBA CC(C)Cn1nnc2c1C[C@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 952893687 JRYHOFJSJIFRJL-SNVBAGLBSA-N 374.426 3.226 5 50 FGBA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)ccc12 4311948 ANITYNQRSNCFFT-UHFFFAOYSA-N 354.318 3.027 5 50 FGBA CCOc1ccc2ccccc2c1/C=C/c1nc(O)[nH]c(=O)c1[N+](=O)[O-] 4954658 QDHSEVDEAMFYJN-CMDGGOBGSA-N 353.334 3.106 5 50 FGBA O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc([N+](=O)[O-])cc1 4699964 IPEYOBIYNURYLB-UHFFFAOYSA-N 356.363 3.376 5 50 FGBA CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1cccc([N+](=O)[O-])c1 5575415 KGQVAQYWLOFLEJ-XPTSAGLGSA-N 362.411 3.243 5 50 FGBA O=C(O)[C@H]1CS[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 871715 AATLPWJCAZWWPS-RNCFNFMXSA-N 354.771 3.296 5 50 FGBA Cc1nc2ccccc2n2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12 2488912 UZROBFBOIISCOS-UHFFFAOYSA-N 370.412 3.014 5 50 FGBA Cc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c([N+](=O)[O-])c1 4041154 LYYMWPOYCOEDPI-UHFFFAOYSA-N 368.345 3.336 5 50 FGBA CC(C)CCN(c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 170599285 UODGLIJICBUQJB-UHFFFAOYSA-N 355.460 3.037 5 50 FGBA CO[C@@H]1[C@H]2C[C@@H]3CN(c4ccc(Br)cc4[N+](=O)[O-])[C@@H]1[C@H]3C2 253417671 YMMUIKIOWRTTDR-UBSPAHDZSA-N 353.216 3.217 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2)cc1 831334 LITZRSDLFHNFJL-OAHLLOKOSA-N 350.421 3.031 5 50 FGBA O=[N+]([O-])c1cc2c(cc1/C=C/c1cc(C(F)(F)F)nc(O)n1)OCO2 4149369 SXEBXHPBLPTMGI-OWOJBTEDSA-N 355.228 3.008 5 50 FGBA CN1CCN(c2ccc(C(=O)c3ccc(Cl)cc3)cc2[N+](=O)[O-])CC1 4618746 UMQSLNVLNDTNRE-UHFFFAOYSA-N 359.813 3.231 5 50 FGBA O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCc4nnn(C5CCC5)c4C3)n2)s1 952893232 IHCLSFDWHBQFJK-SECBINFHSA-N 372.410 3.295 5 50 FGBA Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1C 834648 DUJZALSLMFRDLM-CQSZACIVSA-N 353.378 3.203 5 50 FGBA CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Cl)cc2)C1 1215347 GTMGRRRZDPZXAX-QGZVFWFLSA-N 359.769 3.315 5 50 FGBA O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@H](c4cccc(F)c4)C3)n2)cc1 486961235 BIMRADXFYNEXKZ-INIZCTEOSA-N 370.340 3.362 5 50 FGBA CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@H]2C=Cc3ccccc3N12 4754558 PADJWHRQCDKBAN-KRWDZBQOSA-N 364.361 3.151 5 50 FGBA COc1ccccc1N1CCN(C(=S)Nc2ccccc2[N+](=O)[O-])CC1 17076282 GMEPBIYUUNCZFG-UHFFFAOYSA-N 372.450 3.122 5 50 FGBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 252513150 XPWJZPLTXCMDNH-XFJVYGCCSA-N 371.393 3.022 5 50 FGBA O=C(OCCSC1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 2325780725 KRQUNXVUWPPRPG-UHFFFAOYSA-N 350.396 3.145 5 50 FGBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 4750541 GOZUESNKSNQGFQ-UHFFFAOYSA-N 359.813 3.140 5 50 FGBA O=C(NC[C@@H]1CCCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4865768 NAKFXYZVODONKB-INIZCTEOSA-N 355.394 3.116 5 50 FGBA O=C(COC(=O)c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1 1174561 XUTXMJSSFUIOBP-UHFFFAOYSA-N 364.151 3.397 5 50 FGBA Cc1cccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1C 1180540 HTWNKPRKXXFLEF-UHFFFAOYSA-N 353.422 3.103 5 50 FGBA Cc1nn([C@@H](C)C(=O)NCc2ccc(-n3cccc3)cc2)c(C)c1[N+](=O)[O-] 4709395 ZLEYAYKTBPKSAT-HNNXBMFYSA-N 367.409 3.076 5 50 FGBA CC[C@@](C)(O)CN(Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] 170603202 CBGKSVLLWPDPAB-LJQANCHMSA-N 354.410 3.410 5 50 FGBA COC(=O)c1sccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1OC 5060369 YJWOEWCXGVJTQK-UHFFFAOYSA-N 351.340 3.096 5 50 FGBA Cc1ccc(CSCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 4828751 WIDNLHAUFFCJRA-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA O=C(Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4896593 XUPPHXXQSNSSSG-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA O=C(NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 52359383 DXNWITJLZXXVKZ-UHFFFAOYSA-N 353.422 3.032 5 50 FGBA CC(=O)Oc1ccc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)oc(=O)c2c1 1150551 YEXDTDXUZPNFOX-UHFFFAOYSA-N 360.709 3.342 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 3995421 NLGGDVOHSMEHTA-YLJYHZDGSA-N 365.389 3.473 5 50 FGBA Cc1cc(Br)c2c(c1)CN(c1c([N+](=O)[O-])c(C)nn1C)CC2 302388409 HXIHISGGKBTBMQ-UHFFFAOYSA-N 365.231 3.270 5 50 FGBA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@@H](C)CO1 164778694 ZPGPWOYHLQJKMG-SCLBCKFNSA-N 356.378 3.211 5 50 FGBA O=C(COc1ccccc1Br)Nc1ccccc1[N+](=O)[O-] 4037813 WQEZIVUSJKMRGE-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)CC1 4998491 NGABVIDXOLDRLR-UHFFFAOYSA-N 368.437 3.297 5 50 FGBA CC[C@@H](C(=O)OC)n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 951895 GJKPWWHPEWGDFA-ZDUSSCGKSA-N 373.390 3.157 5 50 FGBA O=C(Nc1cccc(I)c1)c1ccccc1[N+](=O)[O-] 1167558 XZRKNFFSDDZFMJ-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCOc1ccc(F)cc1 4182701 DBERBCRREUABDR-UHFFFAOYSA-N 361.373 3.061 5 50 FGBA O=C(Nc1ccc(CCCCO)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 2325741455 BRFJZQRVTOSQOG-UHFFFAOYSA-N 354.366 3.038 5 50 FGBA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1[N+](=O)[O-] 170620228 AVOOOYAVAIYEQU-KRWDZBQOSA-N 370.434 3.259 5 50 FGBA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)ccc1[N+](=O)[O-] 994038 XAXMUTOFVIWWRR-UHFFFAOYSA-N 359.407 3.195 5 50 FGBA O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 4357398 LNEPHJDEGGSBDP-UHFFFAOYSA-N 355.728 3.368 5 50 FGBA O=C(O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1 1209109 MBWNROSGDJVDBX-UHFFFAOYSA-N 362.297 3.247 5 50 FGBA COc1cc2c(cc1NC(=O)c1nn(C)cc1[N+](=O)[O-])oc1ccccc12 3670044 VLUZKPLVZDAYNG-UHFFFAOYSA-N 366.333 3.489 5 50 FGBA CC[N+](C)(CC)[C@H](C)COC(=O)C(O)(c1ccccc1)c1ccccc1 2299912165 GXNWUZBWLIXILX-GOSISDBHSA-N 356.486 3.341 5 50 FGBA O=C(COc1ccc(Br)cc1)Oc1ccccc1[N+](=O)[O-] 1084334 DMQJEAJCJOKYQN-UHFFFAOYSA-N 352.140 3.342 5 50 FGBA COc1ccc(OC)c(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 4836757 OTVWACHVQDPFCB-DHDCSXOGSA-N 368.345 3.265 5 50 FGBA CCc1ccc([C@@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)o1 154984451 WVGSIQTXLKISPT-INIZCTEOSA-N 373.409 3.056 5 50 FGBA NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 240551466 GUCRONADMVFYIN-PXWWUCIGSA-N 357.332 3.236 5 50 FGBA C[C@]1(Cc2ccccc2)CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] 170596922 KRPPYQDJTNJXRK-HXUWFJFHSA-N 364.405 3.204 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(F)cc3)CC2)cc1 13497441 SEQFNVVRDBYZSZ-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA Cc1ccccc1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 20363172 RSKYODHOLOQGNL-UHFFFAOYSA-N 354.410 3.253 5 50 FGBA CC[N+](C)(CC)[C@@H](C)COC(=O)C(O)(c1ccccc1)c1ccccc1 2299912168 GXNWUZBWLIXILX-SFHVURJKSA-N 356.486 3.341 5 50 FGBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 845688 UEHYDHNTWMRAAN-KRWDZBQOSA-N 366.377 3.170 5 50 FGBA C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccc(F)cc2)O1 170644906 WGRLUVKWCZTLOL-DIFFPNOSSA-N 360.341 3.042 5 50 FGBA CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 5091200 LZOKWTBPURDJLF-MDWZMJQESA-N 357.347 3.448 5 50 FGBA CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc([N+](=O)[O-])cc1 5791233 QBQXYTOBYCFJJB-XPTSAGLGSA-N 362.411 3.243 5 50 FGBA COc1ccccc1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 861828 WVVKRVBJNAAVCM-UHFFFAOYSA-N 356.363 3.374 5 50 FGBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)Cc1ccccc1 4949899 AVFOZKCEABETNK-CQSZACIVSA-N 357.385 3.014 5 50 FGBA COc1ccc(CCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 1171275 VPGVEIVEKAAOPC-UHFFFAOYSA-N 360.435 3.196 5 50 FGBA O=C(NCCCn1ccnc1)c1sc2cc([N+](=O)[O-])ccc2c1Cl 2769554 KXNLJVJENNOQRK-UHFFFAOYSA-N 364.814 3.480 5 50 FGBA COc1cc2c(cc1NC(=O)Cn1cc([N+](=O)[O-])cn1)oc1ccccc12 4623895 NWSUQMKMMABEJP-UHFFFAOYSA-N 366.333 3.338 5 50 FGBA Cc1cc([N+](=O)[O-])c(F)c(Br)c1I 96024824 ILROFFXQJGXJKR-UHFFFAOYSA-N 359.920 3.409 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]34 239159696 MQASNJGBUISRNK-GRAOFRMDSA-N 353.486 3.075 5 50 FGBA biogenic,in-vitro COc1cc2c(cc1OC)[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)CC2 1230782 TWPYZIOHLSPEBW-IBGZPJMESA-N 356.378 3.106 5 50 FGBA biogenic CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1 1201642 UFGVLNCDAVXEOI-OAHLLOKOSA-N 355.394 3.337 5 50 FGBA O=c1c2ccccc2c(=O)c2c1c(NCCO)cc1oc3ccccc3[nH]c12 4309877 NEKOUQJZRZXMRA-UHFFFAOYSA-N 372.380 3.345 5 50 FGBA biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCCCC2)CC1 4750363 YKUADWFDAYDXJK-UHFFFAOYSA-N 362.430 3.086 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1438176 HQKWZBHLOYLPQN-KRWDZBQOSA-N 366.373 3.216 5 50 FGBA C[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 994716 ZQSUNEZHMZSEPI-VIFPVBQESA-N 359.407 3.132 5 50 FGBA CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1183367 FKMUHQOROJMPSD-BJMVGYQFSA-N 369.402 3.324 5 50 FGBA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1132414 GUTCTSWJCRWQJB-INIZCTEOSA-N 370.340 3.001 5 50 FGBA Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Br)cc1 777938 QRPUUQHKCSICMV-UHFFFAOYSA-N 360.167 3.365 5 50 FGBA COc1ccc(OCCCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 1778333 DGGZFFJPHBJNML-UHFFFAOYSA-N 360.366 3.410 5 50 FGBA COc1ccc([C@@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 4743402 DATDJCBBSJJHGI-GOSISDBHSA-N 355.350 3.017 5 50 FGBA Cc1c(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 4134247 HRBZYIVSMLYNKG-UHFFFAOYSA-N 367.365 3.037 5 50 FGBA CC[N@+]12CCC[C@@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H](C(=O)OC)C4 252441489 YOKGTQLQSKMMCL-KAGDOMJFSA-N 367.513 3.465 5 50 FGBA biogenic Cc1nn(CC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 4650916 NYDNJMPXNNBQJB-IWUURBKTSA-N 360.458 3.129 5 50 FGBA CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1150326 LKFARCIUSZIGKW-ZHACJKMWSA-N 353.378 3.385 5 50 FGBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1ncnn1-c1ccccc1 467903994 MFVLHEFWZVHVFL-UHFFFAOYSA-N 371.784 3.067 5 50 FGBA Cc1cccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4678156 ITFFWWSJMVROBO-UHFFFAOYSA-N 356.451 3.422 5 50 FGBA CC[N@+]12CCC[C@]34C[C@H](C(=O)OC)[C@@]5(Nc6ccccc6[C@]5(CC1)[C@@H]32)[C@@H]4C 245253737 LZUBEVCHNPBHRZ-XDKRGCGMSA-N 367.513 3.321 5 50 FGBA CC(C)(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)no1 225443375 LOVDONDYSQOJLA-UHFFFAOYSA-N 359.791 3.335 5 50 FGBA O=C(NCCCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 3613364 KZCBQFMDLYHLPU-UHFFFAOYSA-N 352.346 3.064 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4269421 CFZWVBOLJFPBIJ-NSHDSACASA-N 359.769 3.240 5 50 FGBA O=[N+]([O-])c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCCCC2)c1 4844953 ICPKDCBRJXKWDX-UHFFFAOYSA-N 367.471 3.150 5 50 FGBA O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(COc2ccc(Cl)cc2)c1 4652229 YZAZJADLFCBQJC-UHFFFAOYSA-N 372.768 3.408 5 50 FGBA O=c1c2ccccc2ncn1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 6668480 UHGPXKKWXTUFSE-UHFFFAOYSA-N 364.386 3.477 5 50 FGBA Cc1oc2c(c1C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)CCCC2 3894118 ZPAKZERKULKASX-UHFFFAOYSA-N 369.421 3.337 5 50 FGBA C[C@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C 4840459 TULDBGHHEWHYKO-CYBMUJFWSA-N 355.401 3.441 5 50 FGBA C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H](C)N1CCOCC1 225548513 GLTGMDVDUDSCJN-HZPDHXFCSA-N 363.461 3.227 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 882004 KNERIRWXMUXLFW-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC[C@](C)(O)CN(Cc1ccccc1)c1nc2ccccn2c1[N+](=O)[O-] 170603201 CBGKSVLLWPDPAB-IBGZPJMESA-N 354.410 3.410 5 50 FGBA CC(C)[C@@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 3878095 NOJKUUNUGNDWAE-SECBINFHSA-N 351.237 3.043 5 50 FGBA O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)O1 4844931 VQOPLKJZUGGREH-LLVKDONJSA-N 352.774 3.453 5 50 FGBA Cc1cc(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)ccc1Br 1070069 WMWSWGCCGIPVBY-VIFPVBQESA-N 353.176 3.062 5 50 FGBA Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 1115281 IQMSGIHDXWCLAG-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 4998927 OLKQXXNEYIYYDH-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA COC(=O)c1sc2cc([N+](=O)[O-])cc(OCC(F)(F)F)c2c1N 1069595 ICXCRSHNQPUVNW-UHFFFAOYSA-N 350.274 3.119 5 50 FGBA Cc1csc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)n1 38494294 HEQRYLSNYRJMHF-UHFFFAOYSA-N 350.381 3.232 5 50 FGBA O=C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 2745666 CVJPDNUZJPQTAK-UHFFFAOYSA-N 372.337 3.251 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 4565012 JSVUKUKHVYXTDW-DOMZBBRYSA-N 371.315 3.238 5 50 FGBA CCCOc1c(I)cc(/C=C\[N+](=O)[O-])cc1OC 4545128 ZCYSHHFOMHKBJA-PLNGDYQASA-N 363.151 3.336 5 50 FGBA O=[N+]([O-])c1cc(Cl)ccc1NCCCNS(=O)(=O)c1ccccc1 4413416 WRCKGPOYJKKBBY-UHFFFAOYSA-N 369.830 3.029 5 50 FGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1165726 PNZDAYSAZUHGOW-NSHDSACASA-N 359.769 3.240 5 50 FGBA C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 4728048 BOELGVQSXDLTQD-JTQLQIEISA-N 352.799 3.388 5 50 FGBA O=C(c1cccs1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 5120017 GPKXWSZZYWABAQ-UHFFFAOYSA-N 351.815 3.272 5 50 FGBA COc1ccc([C@]2(C)OC(c3cccc([N+](=O)[O-])c3)=NN2C(C)=O)cc1 4743411 DATDJCBBSJJHGI-SFHVURJKSA-N 355.350 3.017 5 50 FGBA COc1ccccc1NC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1 1135944 QLHRTFAMFNTQIV-UHFFFAOYSA-N 358.350 3.066 5 50 FGBA Cc1cc(Br)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4674056 XYIWOTXXXVHLEQ-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA O=C(c1cccs1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4688248 OBHDATZPLGMCBD-UHFFFAOYSA-N 351.815 3.272 5 50 FGBA O=c1[nH]nc(SCc2c(Cl)cccc2[N+](=O)[O-])n1-c1ccccc1 5077590 QPMXBWRUUNNYCI-UHFFFAOYSA-N 362.798 3.415 5 50 FGBA COc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1O 4832909 MIXSKATUZNCMME-UHFFFAOYSA-N 367.155 3.324 5 50 FGBA CCOc1cc([N+](=O)[O-])c(C(=O)O[C@@H](C)c2cnoc2C)cc1OC 253426395 ZRRQMMKBIOXNNW-VIFPVBQESA-N 350.327 3.217 5 50 FGBA CCOc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 831817 PJNJCWBOINEEBA-UHFFFAOYSA-N 369.421 3.264 5 50 FGBA Cc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2989599 UYIGFSOSPMOHNX-UHFFFAOYSA-N 355.346 3.292 5 50 FGBA COc1ccccc1NS(=O)(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C 3876332 NKOSCKZDNVRORL-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C(=O)Cc1ccccc1 4949903 AVFOZKCEABETNK-AWEZNQCLSA-N 357.385 3.014 5 50 FGBA Cn1c(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])nnc1-c1ccccc1 1158718 AISKWKVMKYLMGA-UHFFFAOYSA-N 356.363 3.240 5 50 FGBA COc1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(OC)cc1Cl 1189408 BOPQUHOFYQHRLG-UHFFFAOYSA-N 350.758 3.447 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Br)cc1 1226890 SOHBTEQKNABZAP-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA CC[C@@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4718559 ZYDHJVBJHGTJSF-LJQANCHMSA-N 369.421 3.101 5 50 FGBA Cc1ccc(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 1173393 MCILKTOLWKHDJX-UHFFFAOYSA-N 358.423 3.096 5 50 FGBA CCC[C@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccn1 225801004 XMOKWWSDAFLVRB-SFHVURJKSA-N 368.437 3.222 5 50 FGBA CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCCN1C 421710405 KKZTWRATDONEKG-AWEZNQCLSA-N 351.472 3.262 5 50 FGBA Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 4838330 CHFVNNPPKXRAIM-CQSZACIVSA-N 353.378 3.203 5 50 FGBA Nc1ccc([N+](=O)[O-])c(N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 374543281 KCXSVMLCJKNIAO-UHFFFAOYSA-N 355.320 3.303 5 50 FGBA Cc1nn(Cc2cccc(C(=O)N3CCC[C@@H](C)C3)c2)c(C)c1[N+](=O)[O-] 1000889 ISVPUBKPVCCCLW-CYBMUJFWSA-N 356.426 3.329 5 50 FGBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4903392 YDNHGUJDPIOPOP-QLFDAEIZSA-N 364.467 3.478 5 50 FGBA C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@@H]2CCCC[C@@H]12 229807567 PVHADERNHXDFBH-RPVQJOFSSA-N 369.425 3.216 5 50 FGBA Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 827205 HUIYSBXHWZWZIW-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 173430967 RFXPWQQFSFAQKW-JTQLQIEISA-N 355.320 3.166 5 50 FGBA COc1ccc(C(=O)CSc2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 5485265 ZSJYIJBQGSLVGT-UHFFFAOYSA-N 370.390 3.364 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 19706460 NECSOLNWRBGVFQ-VMPITWQZSA-N 351.406 3.066 5 50 FGBA COC(=O)[C@H](C)N(C(=O)c1ccccc1[N+](=O)[O-])c1c(C)cccc1C 1229650 QOGQSYIBEJACEU-AWEZNQCLSA-N 356.378 3.420 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)c1ccc(O)cc1 2325862480 VUVXXBIKGRJGNE-KRWDZBQOSA-N 354.362 3.096 5 50 FGBA CCOc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1 1075170 JIHMIOCYDYEKOV-UHFFFAOYSA-N 366.377 3.496 5 50 FGBA O=[N+]([O-])c1ccc2nc(CN3CCC[C@H]3CCc3ccccn3)[nH]c2c1 2325771973 HRYYJDGJXFOKDB-HNNXBMFYSA-N 351.410 3.463 5 50 FGBA CC(C)[C@H](Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)O 3878094 NOJKUUNUGNDWAE-VIFPVBQESA-N 351.237 3.043 5 50 FGBA Cc1cc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)cc1[N+](=O)[O-] 4543982 WWEFSVYQNNGLFP-UHFFFAOYSA-N 361.348 3.144 5 50 FGBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCCC1 5030179 QCEKRWPLCRNJFZ-UHFFFAOYSA-N 367.471 3.150 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2C)cc1[N+](=O)[O-] 881987 TYQZSUFFCIBOAC-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1 1130826 OCWNPSSCQWGLKS-UHFFFAOYSA-N 369.429 3.032 5 50 FGBA O=C(Nc1nnc(C(F)(F)F)s1)c1cc([N+](=O)[O-])ccc1Cl 1154648 FHAATMAOQIQZNI-UHFFFAOYSA-N 352.681 3.371 5 50 FGBA COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c([N+](=O)[O-])cc1OC 1151357 BNPOKTNUEIAGOY-ZDUSSCGKSA-N 358.394 3.363 5 50 FGBA O=C(c1c(F)cccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4881553 DUDXBPDYXAUIBB-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3623675 QEECJLZUJMANSG-KRWDZBQOSA-N 372.377 3.329 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@]12CCCc1ccccc12 151392676 VYKOXEDXBGQMBU-QRWLVFNGSA-N 351.406 3.322 5 50 FGBA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 4040369 DOZVBQNZKWADGV-UHFFFAOYSA-N 369.786 3.007 5 50 FGBA CCN1CCN(c2cc(N3CCCCCC3)c([N+](=O)[O-])cc2F)CC1 4168653 JGVLXCIFUSRHLH-UHFFFAOYSA-N 350.438 3.256 5 50 FGBA COC(=O)c1cc(C)nc(N2CC(C)(C)[C@H]2c2ccncc2)c1[N+](=O)[O-] 292641380 FWHANYXQEZJBEZ-OAHLLOKOSA-N 356.382 3.067 5 50 FGBA CC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 1391986 BQLSMVLABMAFQB-UHFFFAOYSA-N 353.783 3.425 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 755168 IUIUHCNPRSUVRF-UHFFFAOYSA-N 360.435 3.238 5 50 FGBA O=[N+]([O-])c1ccc(O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 19609095 BHJQZKDVSRCJAS-QPJJXVBHSA-N 353.422 3.131 5 50 FGBA CN1CCN(C(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)CC1 114193322 BLSWPPPBUQFKHH-UHFFFAOYSA-N 364.405 3.131 5 50 FGBA in-vitro Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@]12CCCc1ccccc12 151392626 VYKOXEDXBGQMBU-YWZLYKJASA-N 351.406 3.322 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1 2819082 ZYZYAMCRTULXFT-UHFFFAOYSA-N 368.440 3.295 5 50 FGBA Cc1cc(N2CCC[C@@H]2c2ccn[nH]2)nc(-c2cccc([N+](=O)[O-])c2)n1 170616228 NQCIKRBMMQKKNM-MRXNPFEDSA-N 350.382 3.425 5 50 FGBA COc1ccc(Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(OC)n2)cc1 4455957 CMMQUCBRGGDOJJ-UHFFFAOYSA-N 368.353 3.284 5 50 FGBA O=C(O)C[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N1C(=O)c2ccccc2C1=O 1304635 CNGWHVBWTIIPBT-AWEZNQCLSA-N 374.736 3.060 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Cl 5119896 FRJSRQBVPUHLKG-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 3998606 MKBJJRPMQMGWHI-IBGZPJMESA-N 353.422 3.437 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccccc2)CCOCC1 1072329 XQEQCFRVSZIAPH-UHFFFAOYSA-N 356.378 3.290 5 50 FGBA Cc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)ccc1[N+](=O)[O-] 753664 UQGJUGQRCFKPFM-UHFFFAOYSA-N 353.422 3.482 5 50 FGBA Cc1ccc(OCC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 5101336 FFCWZNKTUZBSDP-UHFFFAOYSA-N 359.407 3.104 5 50 FGBA O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCc4c[nH]nc4C3)cs2)c1 374544719 HRKZYJPPNIZHGP-ZDUSSCGKSA-N 355.423 3.089 5 50 FGBA Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Br 805410 IJOGJMLEYZYNDI-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)cc1 2874641 ICZMCQCPGHUZRH-UHFFFAOYSA-N 354.409 3.126 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 239159698 MQASNJGBUISRNK-UUPTZMQLSA-N 353.486 3.075 5 50 FGBA biogenic,in-vitro CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 3623673 QEECJLZUJMANSG-QGZVFWFLSA-N 372.377 3.329 5 50 FGBA Cc1ccc(CSCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 2982088 UCACBPOXBIOXAT-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c3nnnn3n12 944621 IZTFFUIDQIFRAZ-UHFFFAOYSA-N 370.397 3.167 5 50 FGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1I 1229905 OTCMLHONPTYDQN-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA COc1cc(CN2CCc3c([nH]c4ccccc34)C2)cc([N+](=O)[O-])c1O 4990922 QLYNKIDNQOCXNX-UHFFFAOYSA-N 353.378 3.349 5 50 FGBA Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 408004206 KTSOAOJUNVCYAU-TXEJJXNPSA-N 353.216 3.394 5 50 FGBA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc([N+](=O)[O-])cc1)C2=O 19318756 KYKCPKALZJKYQZ-UHFFFAOYSA-N 357.454 3.092 5 50 FGBA biogenic COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc([N+](=O)[O-])c1O 19787659 IWIZKRIMMZFCOT-UHFFFAOYSA-N 373.390 3.153 5 50 FGBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 244787978 QHGBGOKOMMTTJA-CWLKWCNXSA-N 350.374 3.387 5 50 FGBA COc1c(O)ccc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 3606156 UCLGCTLOEZZSLA-UHFFFAOYSA-N 357.274 3.042 5 50 FGBA biogenic,in-vivo Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1[N+](=O)[O-] 673721 YTYZECWHGNKQKO-SECBINFHSA-N 373.434 3.441 5 50 FGBA CCOC(=O)c1c2n(c3cc(Cl)c([N+](=O)[O-])cc3c1=O)CCCCC2 752436 YSUBDCZSEDUAAG-UHFFFAOYSA-N 364.785 3.466 5 50 FGBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1O 1136584 DSSKBXBOPPRVGL-UHFFFAOYSA-N 352.140 3.420 5 50 FGBA COC(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc([N+](=O)[O-])c1 195532297 ZDTUEVIRCOCPNI-FRIZHTMISA-N 360.410 3.326 5 50 FGBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 831384 WMHLGYDTZOKMCE-CYBMUJFWSA-N 374.780 3.345 5 50 FGBA COc1ccc([C@@H]2Cc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])N2C)cc1OC 4623321 NQGPPVWKGMHXHH-ZDUSSCGKSA-N 359.338 3.254 5 50 FGBA CC(C)COC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 3039544 URKFMBGGWPIJQC-UHFFFAOYSA-N 368.345 3.208 5 50 FGBA Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 1385526 ULWRUQDHBFODBQ-UHFFFAOYSA-N 357.757 3.390 5 50 FGBA O=C(COc1ccccc1Br)Nc1ccc([N+](=O)[O-])cc1 4037815 NMCIFVMXJUWDAV-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)O3)cc1 4626307 WGQBIJUGAXFGTJ-OAHLLOKOSA-N 365.345 3.435 5 50 FGBA O=C(c1ccc(F)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 3894075 MYBOVLBHVBEKBL-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 828459 BGPCIRDMRGOZTC-INIZCTEOSA-N 361.398 3.202 5 50 FGBA CC(C)(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 2110232 PTXCSSZYUURWNR-UHFFFAOYSA-N 365.371 3.195 5 50 FGBA COc1cc(Br)c([N+](=O)[O-])c(Br)c1[N+](=O)[O-] 1772572475 FEXWYJQDTFVMSS-UHFFFAOYSA-N 355.926 3.037 5 50 FGBA COc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4685217 YDJGVYKTEPCJMK-UHFFFAOYSA-N 372.450 3.122 5 50 FGBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)/N=c3/cccc[nH]3)cc2)cc1 1230305 LKKYEEZGRQKCNT-UHFFFAOYSA-N 371.374 3.005 5 50 FGBA O=[N+]([O-])c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)ccc1O 19608879 UNFHJXDHLGBIBD-QPJJXVBHSA-N 353.422 3.131 5 50 FGBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)n1 5067752 DJKTVZLUSYYLOR-CQSZACIVSA-N 356.382 3.141 5 50 FGBA COc1ccc(-c2nc(SC)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 1109892 IOPYESQTOUSPSF-UHFFFAOYSA-N 370.390 3.272 5 50 FGBA COc1cc2c(cc1OC)[C@@H](C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 2139157 XFFHLKFEYXGVGD-FZKQIMNGSA-N 372.421 3.265 5 50 FGBA biogenic C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccc(-c2ccco2)n1 13644307 NSKIXOSNAFXHIP-LLVKDONJSA-N 354.322 3.051 5 50 FGBA O=C(CN1CCC[C@@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 253419926 MAKHCAYXXAFDAR-OAHLLOKOSA-N 360.801 3.419 5 50 FGBA CCCCn1c(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)nc(C)c1C 195027684 JQVXNSVPCBAATF-UHFFFAOYSA-N 351.428 3.182 5 50 FGBA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1133416 STAOSQKFWGJYGM-UHFFFAOYSA-N 372.406 3.070 5 50 FGBA CC(C)CCN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1178440 ZPFOREPWPAXYSV-UHFFFAOYSA-N 366.373 3.468 5 50 FGBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1nc2ccccc2[nH]1 4312324 QRERSVTUNDTFLK-UHFFFAOYSA-N 355.423 3.032 5 50 FGBA O=C(O)C[C@H](NC(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 4686332 KYCAXEBTCBHBDR-NSHDSACASA-N 354.771 3.256 5 50 FGBA CCOC(=O)C(CCCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC 4951137 JQUKYRFWXVHJOU-UHFFFAOYSA-N 367.398 3.276 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1C2=C(C)C 222244586 PEOHBSSDDBSWLW-SYWGBEHUSA-N 374.393 3.235 5 50 FGBA O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1 1081653 UABSNDLFCDXFRX-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA C[C@H](C(=O)Nc1ncc(C(F)(F)F)cc1Cl)n1cc([N+](=O)[O-])cn1 4686645 QHSUITWYVHHODI-ZCFIWIBFSA-N 363.683 3.058 5 50 FGBA COc1ccc(NC(=O)CCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 1136200 WOIAPMLFYLMEHC-UHFFFAOYSA-N 358.350 3.066 5 50 FGBA CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccc(Cl)cc2)C1 22170622 YBXDNQUCJAFDPP-GOSISDBHSA-N 373.796 3.244 5 50 FGBA C/C=C1/C[N@@+]2([O-])[C@H]3C[C@@H]1[C@H]1[C@@H]2C[C@@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O 255269492 SYZGOUOZLCZRJD-RLBSKOTMSA-N 350.418 3.007 5 50 FGBA biogenic Cc1cc(N(CC2CCC2)[C@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)n1 225535078 OFVJMSYLQKVUCY-CQSZACIVSA-N 356.426 3.348 5 50 FGBA CC(C)n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1C1CC1 14066182 BUUMWZTXXHBPSX-UHFFFAOYSA-N 361.427 3.375 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1 1072804 XZPDHEYUNWPATH-UHFFFAOYSA-N 361.206 3.380 5 50 FGBA CC(C)(C)C1CCN(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 170613073 ALCXOAFXHDLFPV-UHFFFAOYSA-N 355.460 3.083 5 50 FGBA CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1080988 ZJGWIZJNZYERPI-KRWDZBQOSA-N 373.409 3.346 5 50 FGBA O=[N+]([O-])c1cccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)c1 1122068 LDTMGYMYBDLNMF-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)c1 4703671 IYBSRJLRCZLENN-UHFFFAOYSA-N 369.421 3.264 5 50 FGBA COc1nc2ccc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)cc2s1 170618679 LEFCIHPIMYKAAN-UHFFFAOYSA-N 369.362 3.342 5 50 FGBA COc1cc(O)cc2c1cc([N+](=O)[O-])c1c(C(=O)O)cc3c(c12)OCO3 2584240 PADIFGYTAXNCRK-UHFFFAOYSA-N 357.274 3.042 5 50 FGBA biogenic,in-vitro O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc([N+](=O)[O-])c1 1115572 GOWIBKNUKLWFJE-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)CC2 1230783 OIFIJKJQAGAGKY-LJQANCHMSA-N 356.378 3.106 5 50 FGBA biogenic COc1n[nH]c(C(=O)Nc2cccc(Nc3ccccc3)c2)c1[N+](=O)[O-] 6786446 ZKDHVCVXPGLGSV-UHFFFAOYSA-N 353.338 3.322 5 50 FGBA CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Cl)cc2)CC1 3932162 AMNSTBWPBHSZPR-UHFFFAOYSA-N 359.813 3.231 5 50 FGBA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 5041350 PIJPKYKNNKOCGT-UHFFFAOYSA-N 359.338 3.424 5 50 FGBA CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1cccc([N+](=O)[O-])c1 1212658 JXEAKAOITUFUJE-CQSZACIVSA-N 359.304 3.094 5 50 FGBA Cn1c(Sc2ccc([N+](=O)[O-])c(C(=O)O)c2)nnc1-c1ccccc1 4565385 KPJJCESLVXJSBF-UHFFFAOYSA-N 356.363 3.240 5 50 FGBA O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(=O)[nH]c2ccccc12 16447514 VOHYTJFJRYVEIZ-UHFFFAOYSA-N 358.737 3.447 5 50 FGBA C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 687046 OBHKTNMETRQPKN-SECBINFHSA-N 359.407 3.132 5 50 FGBA O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC(=O)N(c2ccccc2)C1 4810849 QZJRJZXVJXSYAR-LLVKDONJSA-N 359.769 3.240 5 50 FGBA O=C1C[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2cc3c(cc2N1)CCC3 1072386 HOQMDGPCOGNYCH-GFCCVEGCSA-N 352.346 3.286 5 50 FGBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cc2C)n1 1000917 WOINMKQUORBSIW-UHFFFAOYSA-N 353.176 3.134 5 50 FGBA CCc1ccccc1-n1c(S)nnc1[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 6419118 VHKKLUIGAJZOTM-GFCCVEGCSA-N 372.454 3.449 5 50 FGBA CCc1ccc(OCCNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1 4119165 UXNHFVKPTUYBQY-UHFFFAOYSA-N 371.437 3.485 5 50 FGBA Cc1cc(N2CCN(C(=O)c3ccccc3F)CC2)c(F)cc1[N+](=O)[O-] 4543937 MLGJVPIYBILUEF-UHFFFAOYSA-N 361.348 3.144 5 50 FGBA CCn1c(-c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)n[nH]c1=S 2573487 NBFCLZBKTFBMNE-UHFFFAOYSA-N 358.427 3.397 5 50 FGBA O=C(NCc1ccco1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 12649438 UMIINEIEENLYEW-UHFFFAOYSA-N 370.409 3.240 5 50 FGBA O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 837549 KTKKXAWKEIZHHE-NSHDSACASA-N 359.769 3.240 5 50 FGBA Cc1cc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1C 1183051 XLGPRTIKYYPFIL-UHFFFAOYSA-N 359.407 3.352 5 50 FGBA COc1ccc(COCCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 128733787 DGURFFOGRRPHDN-UHFFFAOYSA-N 356.378 3.099 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2)cc1 831333 LITZRSDLFHNFJL-HNNXBMFYSA-N 350.421 3.031 5 50 FGBA O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 1228686 FDDBUQYYGLVAFU-UHFFFAOYSA-N 364.151 3.397 5 50 FGBA CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 2478723 KAPZDSSMJXUENZ-QGZVFWFLSA-N 357.391 3.332 5 50 FGBA COc1ccc(CN(C(C)C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 261494360 VTZVBJNUSNXAQC-UHFFFAOYSA-N 364.423 3.203 5 50 FGBA CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 3904047 VUWKQDLKVVJRHR-UHFFFAOYSA-N 369.421 3.346 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 4565011 JSVUKUKHVYXTDW-IUODEOHRSA-N 371.315 3.238 5 50 FGBA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 239412555 SVTPPBWDZDYCTH-JGFGOQIWSA-N 373.409 3.345 5 50 FGBA Cc1nn(C[C@@H](C)C(=O)Nc2c(F)c(F)cc(F)c2F)c(C)c1[N+](=O)[O-] 2794417 PUPFYUOPFVXMHS-ZCFIWIBFSA-N 374.294 3.239 5 50 FGBA CC1(C)C(=O)N(Cc2ccc(Cl)cc2)C(=O)N1c1ccc([N+](=O)[O-])cn1 4052579 DOMLKZSROYATCN-UHFFFAOYSA-N 374.784 3.391 5 50 FGBA COc1ccc([C@@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 4626327 SZMIIIKHBGIRSQ-HNNXBMFYSA-N 365.345 3.435 5 50 FGBA N[C@H](Cc1cc2ccccc2o1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl 2325854023 LDKCMBNPHGYMSX-MRXNPFEDSA-N 373.796 3.181 5 50 FGBA O=C(NCc1cc(C2CCCC2)on1)c1cc([N+](=O)[O-])c2nsnc2c1 2325869445 NYRSPGLJZUIAFO-UHFFFAOYSA-N 373.394 3.175 5 50 FGBA COc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 3833473 IKVUKWFTBAOSFP-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA O=[N+]([O-])c1ccc2nc(-c3ccc(I)o3)[nH]c2c1 15821830 WWEJKNRPPZKEHZ-UHFFFAOYSA-N 355.091 3.336 5 50 FGBA C[C@@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 253419366 KIDVMPGUTDMFGC-CHWSQXEVSA-N 371.393 3.166 5 50 FGBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 910424 MRFDSMBPMSNISE-UHFFFAOYSA-N 364.151 3.397 5 50 FGBA C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 821446069 QOLHYMMFUTZWME-LBPRGKRZSA-N 366.377 3.147 5 50 FGBA Nc1ccc(CNc2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)cn1 170610802 FLTJXTQDTLTODJ-UHFFFAOYSA-N 351.366 3.158 5 50 FGBA C[C@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@H](C)O1 408405363 ITCACNFESRJFMK-QWRGUYRKSA-N 372.371 3.209 5 50 FGBA CC(C)(C)OC(=O)N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 38537322 DOLJWBADJZUQHH-UHFFFAOYSA-N 358.398 3.200 5 50 FGBA in-vitro Cc1cc(C)cc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])c1 4757661 KCPZWQWRPZDEDM-UHFFFAOYSA-N 359.773 3.428 5 50 FGBA aggregator Cc1cccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1C 5014209 GLWLJAHVAUPTMN-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2ccc(Cl)cc2)CC1 3880497 HOJPCJKLKKZBHD-UHFFFAOYSA-N 362.773 3.483 5 50 FGBA CCn1nc(C)c(N2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)c1C 1163830 RGBRGSDJGMOIHD-UHFFFAOYSA-N 364.361 3.382 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1 2866406 XFGOYSLEEVYSSD-UHFFFAOYSA-N 372.855 3.319 5 50 FGBA CCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21 4813543 JLWMJNNHCQRXRJ-UHFFFAOYSA-N 354.366 3.003 5 50 FGBA Cc1cc(OCCN2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] 4831972 OUCNFJWKJBWAKH-UHFFFAOYSA-N 355.438 3.100 5 50 FGBA O=C(O)[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4918914 XPYKNMWDXPRBSB-VHSXEESVSA-N 359.165 3.420 5 50 FGBA CCOC(=O)C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)OCC 1829859 MTZFNCKQMZXJCT-UHFFFAOYSA-N 359.334 3.364 5 50 FGBA Cc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 4841898 YFBVBCMYFKJMKZ-UHFFFAOYSA-N 355.394 3.301 5 50 FGBA CC(C)(C)c1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 1135985 PSCGJBUUFBSHGO-UHFFFAOYSA-N 370.405 3.366 5 50 FGBA CCC[C@H](C)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 162935141 MFGFEOJYEDAOTF-JTQLQIEISA-N 352.416 3.331 5 50 FGBA Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1[N+](=O)[O-] 777844 DOHIUNYNPBXRIO-UHFFFAOYSA-N 360.167 3.365 5 50 FGBA O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12 947672 RMLJAQSENLLFPC-UHFFFAOYSA-N 353.385 3.403 5 50 FGBA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1ccc([N+](=O)[O-])cc1 2795438 URNJDEGAXOSSGZ-UHFFFAOYSA-N 357.757 3.140 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2=C(C)C)[C@H]1C(=O)O 239174046 PEOHBSSDDBSWLW-IYVPYFHTSA-N 374.393 3.235 5 50 FGBA CC(=O)Oc1cn(C[C@@H]2CCCO2)c2nc(C)n3c4ccccc4nc3c12 5453680 ZKBJQOJOGPTJKF-AWEZNQCLSA-N 364.405 3.250 5 50 FGBA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccccc1[N+](=O)[O-] 1135699 JBBVQIUVXTZAGD-UHFFFAOYSA-N 370.434 3.322 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4269418 CFZWVBOLJFPBIJ-LLVKDONJSA-N 359.769 3.240 5 50 FGBA O=C(Nc1ncn(Cc2ccccc2Cl)n1)c1cccc([N+](=O)[O-])c1 2795337 NOIDXLJEGZUWAC-UHFFFAOYSA-N 357.757 3.140 5 50 FGBA CC[N@@+]12CCC[C@@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H](C(=O)OC)C4 252441488 YOKGTQLQSKMMCL-JCEOXJOZSA-N 367.513 3.465 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5218445 UWPMHQUVJWBKIY-UHFFFAOYSA-N 371.758 3.266 5 50 FGBA COc1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 1128193 ZUNJIGVKPLGDTA-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA COC(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 2858987 BCHRSJZHHUKCOT-UHFFFAOYSA-N 360.391 3.253 5 50 FGBA Cc1nn(CC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1[N+](=O)[O-] 2765048 LSCTYNUPCQKEFU-UHFFFAOYSA-N 371.441 3.033 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 194378749 ASMFUTUPGFNUJW-INIZCTEOSA-N 361.785 3.165 5 50 FGBA CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827208 JOLYGXZKHZSCIG-CQSZACIVSA-N 353.378 3.149 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 984307 FUZRCFJOLNKOIQ-PXNSSMCTSA-N 365.389 3.473 5 50 FGBA COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 1178540 MASLLWXGUDSURB-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA COC(=O)c1ccc(COc2ccc(Br)cc2[N+](=O)[O-])o1 2534372 JICDLBSFRXHVFL-UHFFFAOYSA-N 356.128 3.316 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1F)N1CCC[C@H]1c1ccc2c(c1)OCO2 253418406 PTEBVTGSRSFKHS-ZDUSSCGKSA-N 358.325 3.440 5 50 FGBA C[C@@H]1S[C@@H](c2ccccc2)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O 3900360 VVJVBHDXKCTNIB-IWEFOYFVSA-N 358.419 3.291 5 50 FGBA Cc1ccc(S(=O)(=O)NCCSCc2ccccc2)cc1[N+](=O)[O-] 4724136 AOARDEDRRJOPRR-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA O=C(/C=C/c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4457730 MBCNWEMCYSSIOF-XCVCLJGOSA-N 355.369 3.096 5 50 FGBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1)c1ccccc1 1080990 OBOUEQNDBSZJHW-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)CC2 1230784 OIFIJKJQAGAGKY-IBGZPJMESA-N 356.378 3.106 5 50 FGBA biogenic O=C(c1cnn(-c2ccc(F)cc2F)c1)N1CCc2ccc([N+](=O)[O-])cc21 156920268 DOYKJLCKRNPAKR-UHFFFAOYSA-N 370.315 3.262 5 50 FGBA O=Cc1c(OS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc2ccccc12 2597359 ZVEBCFROXFMLRT-UHFFFAOYSA-N 357.343 3.328 5 50 FGBA CC[C@H](NC(=O)c1nn(C)c(C)c1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 6489240 ZVFUBEPUVGPTKB-ZBUUCQELSA-N 360.458 3.362 5 50 FGBA C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccc(F)cc2)O1 170644902 WGRLUVKWCZTLOL-PIGZYNQJSA-N 360.341 3.042 5 50 FGBA O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 4811055 JDLPOZMRVDRCGG-UHFFFAOYSA-N 367.405 3.024 5 50 FGBA Cc1ccc(C)c(N2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1 55292113 DILYLDGGQTVRKI-UHFFFAOYSA-N 369.421 3.263 5 50 FGBA CC(=O)c1cc2c(cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCO2 2774670 WHEOOOSZTASSMB-UHFFFAOYSA-N 362.725 3.432 5 50 FGBA Cc1cc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)ccc1[N+](=O)[O-] 2827619 MGEJHNMCECUOOR-UHFFFAOYSA-N 373.390 3.037 5 50 FGBA O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C2Nc1cc(Cl)ccc1Cl 4425703 LANZEBSPTVKAOC-UHFFFAOYSA-N 372.189 3.463 5 50 FGBA O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1 8462983 DWRLEMDHSFGCKK-RUZDIDTESA-N 373.308 3.327 5 50 FGBA O=C(NCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 4687571 LUJDPMMSYZQCHA-UHFFFAOYSA-N 353.300 3.456 5 50 FGBA Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 1422055 IGTJLYKPSIGFFI-UHFFFAOYSA-N 351.362 3.147 5 50 FGBA O=C(Nc1ccc(Br)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 4833845 QHMSZJAYSOQYNX-UHFFFAOYSA-N 365.139 3.308 5 50 FGBA COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 4807507 XGRZLZUULQUYKS-UHFFFAOYSA-N 368.349 3.225 5 50 FGBA CCN1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 4998193 ZPMCAZWGSIDYEB-UHFFFAOYSA-N 354.454 3.391 5 50 FGBA O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 5046899 VIDODDQTVZIYBN-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])c(OC)cc1Cl 947093 CDAVMJRVWSRBJG-UHFFFAOYSA-N 366.757 3.283 5 50 FGBA Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1 4838331 CHFVNNPPKXRAIM-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(Br)c1 301803914 DIQHVGGJBXQXGC-WCQGTBRESA-N 354.204 3.122 5 50 FGBA CCOC(=O)C[C@](C)(NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)C 170599916 ITHTYTUGLBPRMB-KOEDOTQGSA-N 366.389 3.231 5 50 FGBA O=C1c2ccccc2C(=O)N1CCCNc1ccc([N+](=O)[O-])cc1Cl 4986143 WRCYMGXHFIYQRF-UHFFFAOYSA-N 359.769 3.346 5 50 FGBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CC(=O)OC13CCCCC3)CCC2 252441122 HDFKGZFKCUTAIJ-MSQSPTIYSA-N 364.506 3.205 5 50 FGBA biogenic O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)N1CCCC1 1129245 ADEVCVFREQYPCA-UHFFFAOYSA-N 353.378 3.012 5 50 FGBA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 1132410 GUTCTSWJCRWQJB-MRXNPFEDSA-N 370.340 3.001 5 50 FGBA O=C(Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 2818752 ZUGBQEWZBPKLEZ-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA O=C(Cc1ccccc1)Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1 2847173 QJIWUTWIZRTURJ-UHFFFAOYSA-N 354.391 3.218 5 50 FGBA Cc1ccccc1N1C(=O)C(Cl)=C(Oc2ccc([N+](=O)[O-])cc2)C1=O 4043310 AXXNBVSGZQZUBY-UHFFFAOYSA-N 358.737 3.306 5 50 FGBA Cc1nn(Cn2cc(Cl)cn2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 2795567 LGYDVYXEDDRYEL-UHFFFAOYSA-N 374.788 3.016 5 50 FGBA O=C(Nc1nc(C2CCOCC2)cs1)c1cc(F)c([N+](=O)[O-])cc1F 286271255 GFEQLXGFQGQKSW-UHFFFAOYSA-N 369.349 3.476 5 50 FGBA COc1ccc([C@@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)cc1OC 1875311379 XFOVFERJBIHMME-CYBMUJFWSA-N 368.393 3.482 5 50 FGBA O=[N+]([O-])c1ccc(N2CCCC2)cc1Sc1nnnn1-c1ccccc1 4188642 ITUSJMSATPJIBK-UHFFFAOYSA-N 368.422 3.322 5 50 FGBA Cc1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(N)=O)c1C 1203215 VXRGPAKZEPFMLT-UHFFFAOYSA-N 353.787 3.278 5 50 FGBA O=C(Nc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 2744649 ZNAULZLGMOCCMY-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cncc(Br)c1 951551 HRJVPTBVAWRKCS-UHFFFAOYSA-N 352.144 3.013 5 50 FGBA C[C@@H](CCc1ccccc1)Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 4687361 KZLJTSGHAWLPDM-INIZCTEOSA-N 354.454 3.438 5 50 FGBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)cc1 4998197 JWHYHRLYIFRVIN-INIZCTEOSA-N 371.393 3.447 5 50 FGBA CCc1cc(N2CCN(C)C[C@H]2C(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 252507127 YXIOJLILVYGCBX-SFHVURJKSA-N 369.469 3.391 5 50 FGBA CCO[C@@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C12CCC2 154894109 BKTIRKNOJZSHNT-DLBZAZTESA-N 359.426 3.263 5 50 FGBA CC(C)Cn1nnc2c1C[C@@H](c1nc(-c3ccc([N+](=O)[O-])s3)no1)CC2 952893669 JRYHOFJSJIFRJL-JTQLQIEISA-N 374.426 3.226 5 50 FGBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccccc3F)CC2)cc1 4678140 QSWHYZORVVOAFJ-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100455760 QBTOACQJQNTRCY-UHFFFAOYSA-N 366.673 3.317 5 50 FGBA Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(Cc2c(C)noc2C)CC1 170606580 IXSUTZDECAWSBF-UHFFFAOYSA-N 364.833 3.484 5 50 FGBA COC(=O)c1c(C)n(CCNc2ccc([N+](=O)[O-])cc2)c2ccc(O)cc12 4619880 FTKVHJIBRKVQBX-UHFFFAOYSA-N 369.377 3.462 5 50 FGBA COc1ccc2[nH]cc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2c1 4814503 LKWSJOVVELZDAE-UHFFFAOYSA-N 353.378 3.366 5 50 FGBA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cccc([N+](=O)[O-])c1O2 95495798 AIEPLKSQRLSAKW-UHFFFAOYSA-N 362.382 3.330 5 50 FGBA CCc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4668673 IXVUZGJVTDFEMS-UHFFFAOYSA-N 355.394 3.246 5 50 FGBA CCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2080862 IGQUUCCSROXJOO-UHFFFAOYSA-N 358.350 3.423 5 50 FGBA CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1n1cccn1 450879530 ZXMZZWRUQBFGON-AXAPSJFSSA-N 363.393 3.122 5 50 FGBA C[C@@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(N)=O)C1 994717 ZQSUNEZHMZSEPI-SECBINFHSA-N 359.407 3.132 5 50 FGBA Cc1ccc([N+](=O)[O-])c(OCCCN2CCN(Cc3ccccc3)CC2)c1 2880030 VDEHCCRDIPENOS-UHFFFAOYSA-N 369.465 3.490 5 50 FGBA Cc1cccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)n1 5068392 UBCJLRFJJIVGJP-CQSZACIVSA-N 356.382 3.141 5 50 FGBA CCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 1191673 DHZWLTLRKMNGPF-UHFFFAOYSA-N 374.349 3.041 5 50 FGBA COc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 9290289 XWYJODQVFJZWCZ-UHFFFAOYSA-N 358.379 3.211 5 50 FGBA CS(C)(=O)=Nc1c(Br)cc(Br)cc1[N+](=O)[O-] 63772509 ZRAZOPCXEHHGAK-UHFFFAOYSA-N 372.038 3.479 5 50 FGBA CN(C[C@@H]1CCCCO1)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 67676760 FJDYNZJQDFRHJP-AWEZNQCLSA-N 350.418 3.322 5 50 FGBA O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1ccncc1 38829310 WJNHHBBFKATMRE-UHFFFAOYSA-N 358.401 3.211 5 50 FGBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 849414 IMHNGOIIRFHKRA-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA O=c1[nH]cnc2cc(N3CC[C@H](Cc4ccc(F)cc4)C3)c([N+](=O)[O-])cc12 119935771 YTMSXKSYCQWBMH-CYBMUJFWSA-N 368.368 3.039 5 50 FGBA CCOc1ccc(OCCn2cc([N+](=O)[O-])c(-c3nccs3)n2)cc1 253427166 IGSJPZYPGGULOO-UHFFFAOYSA-N 360.395 3.393 5 50 FGBA C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H](c2ccc(F)cc2)O1 170644908 WGRLUVKWCZTLOL-GTNSWQLSSA-N 360.341 3.042 5 50 FGBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(Cl)c(C(=O)O)c1 4821289 BFBDJUONVROQPK-UHFFFAOYSA-N 367.770 3.072 5 50 FGBA CC(=O)Nc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 1119597 IFSWWQQRHVVSSL-UHFFFAOYSA-N 359.407 3.425 5 50 FGBA Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1156797 YNHWYQKMVQUSSR-UHFFFAOYSA-N 367.405 3.394 5 50 FGBA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n[nH]1 470493641 WEAZXPLUVGQKTB-JTQLQIEISA-N 352.416 3.331 5 50 FGBA O=C(O)[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4918917 XPYKNMWDXPRBSB-UWVGGRQHSA-N 359.165 3.420 5 50 FGBA CC(C)(C)N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1150875 DMDNOFHTFPPBKZ-UHFFFAOYSA-N 352.346 3.220 5 50 FGBA C[C@](O)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 174417877 NMRQOXZJTHPFRF-AWEZNQCLSA-N 374.340 3.313 5 50 FGBA Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 827227 PUYGTOAOAXLIIW-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA CCN(CC)CCCN1C(=O)[C@@H](C)S[C@H]1c1ccccc1[N+](=O)[O-] 5046369 LDBRLTOWTSAQJF-DYVFJYSZSA-N 351.472 3.289 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@]5(c6ccccc6N[C@@]15CC2)[C@H]34 239159695 MQASNJGBUISRNK-APSMBCIFSA-N 353.486 3.075 5 50 FGBA O=C(NCc1nccn1-c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 170618685 BJNGZBUQCSLJRG-UHFFFAOYSA-N 356.769 3.364 5 50 FGBA C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H](c2ccc(F)cc2)O1 170644904 WGRLUVKWCZTLOL-APPDUMDISA-N 360.341 3.042 5 50 FGBA O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCc2ccccc2C1 3906801 ILVQUVNRYVSBQZ-UHFFFAOYSA-N 355.397 3.046 5 50 FGBA CCn1c(=O)n(CC)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 4827655 ZOYYKSBNJMNJSF-UHFFFAOYSA-N 354.366 3.003 5 50 FGBA CCN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1=O 4865349 XLLKPUGIGWCOEB-UHFFFAOYSA-N 373.752 3.116 5 50 FGBA Cc1ccc(OCC(=O)NCc2ccc(-n3cccc3)cc2)c([N+](=O)[O-])c1 4709401 TYLBRQPKKCGNKZ-UHFFFAOYSA-N 365.389 3.389 5 50 FGBA CC(=O)c1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1179981 ZCAIWQBUMRTIKV-CMDGGOBGSA-N 369.402 3.324 5 50 FGBA COc1cc2nc(-c3ccc([N+](=O)[O-])cc3Cl)oc(=O)c2cc1OC 1065814 PARCNSWPSDLQOG-UHFFFAOYSA-N 362.725 3.434 5 50 FGBA O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)NC1CCCCC1 1078888 CMXSTJXHYDHADM-UHFFFAOYSA-N 362.411 3.186 5 50 FGBA O=C(CCSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4740514 MANSPPMPTIRLBI-UHFFFAOYSA-N 371.462 3.426 5 50 FGBA O=[N+]([O-])c1cccc([C@H]2C=C(c3ccccc3Cl)Nc3nnnn32)c1 100772104 CQGCDDROXIPWKU-OAHLLOKOSA-N 354.757 3.291 5 50 FGBA O=C(Oc1ccccc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4946734 DGXNVLFMXYDJMT-UHFFFAOYSA-N 367.111 3.485 5 50 FGBA CCOc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1O 19536803 ORASIKRGBFIIJY-UHFFFAOYSA-N 357.410 3.021 5 50 FGBA CCOC(=O)c1ccc(NC(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 1741762 IVMICQSGVDGWPR-UHFFFAOYSA-N 359.338 3.424 5 50 FGBA C[C@@H]1C[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC(C)(C)C1 248585537 QVKQLXSARMNOBH-QLFBSQMISA-N 360.458 3.465 5 50 FGBA Cc1c(NC(=O)[C@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 296664857 FXTKERNLBTVTOK-STQMWFEESA-N 372.381 3.489 5 50 FGBA CC(C)(C)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4619222 ULALSYJWMJWPOH-UHFFFAOYSA-N 359.348 3.308 5 50 FGBA O=[N+]([O-])c1ccc2c(c1)c(I)nn2[C@@H]1CCCCO1 526055979 XORWFTHPKICSDK-NSHDSACASA-N 373.150 3.248 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 763010 NLGGDVOHSMEHTA-PXNSSMCTSA-N 365.389 3.473 5 50 FGBA CC(C)C[C@@H](CN)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1340477210 OBIFMEXDDAODEZ-ZDUSSCGKSA-N 373.403 3.063 5 50 FGBA COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 744341 PWAXCUKAUHHGEI-LBPRGKRZSA-N 356.378 3.372 5 50 FGBA biogenic CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccc([N+](=O)[O-])cc1 820281 JVFIWILEOKAEKK-CQSZACIVSA-N 359.304 3.094 5 50 FGBA O=[N+]([O-])c1cccc([C@H]2SCCN2S(=O)(=O)c2ccccc2)c1 845501 GSNNFWZJCFMPQL-OAHLLOKOSA-N 350.421 3.031 5 50 FGBA CCN(CC)CCCN1C(=O)[C@H](C)S[C@@H]1c1ccccc1[N+](=O)[O-] 5046380 LDBRLTOWTSAQJF-SUMWQHHRSA-N 351.472 3.289 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccccc2Cl)C1 171554762 GAYPSHVXYKVTCG-MRXNPFEDSA-N 361.785 3.165 5 50 FGBA Nc1nc(N[C@H]2C[C@@H]3CC[C@H]2C3)sc1C(=O)c1ccccc1[N+](=O)[O-] 1772572711 JRNXAQINDCOHGS-SCVCMEIPSA-N 358.423 3.465 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(=O)N(C2CCCCC2)C1 4814410 UNOGHZOHXXIXOB-LLVKDONJSA-N 365.817 3.368 5 50 FGBA COc1cc2c(cc1NC(=O)c1n[nH]cc1[N+](=O)[O-])oc1ccccc12 6412868 CCULZIZOESYZPU-UHFFFAOYSA-N 352.306 3.478 5 50 FGBA Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCc1ccc(Cl)c(Cl)c1 894474338 RUCJUSNNWJLJLC-UHFFFAOYSA-N 371.224 3.156 5 50 FGBA O=c1/c(=C/c2cc([N+](=O)[O-])ccc2Cl)sc2nc3ccccc3n12 13284787 YQHCXVSFBLEZHJ-ZSOIEALJSA-N 357.778 3.019 5 50 FGBA CN(CCNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1C(F)(F)F 2325898540 JJMHNXCGJMZTBY-UHFFFAOYSA-N 367.327 3.480 5 50 FGBA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 2059291 NRKBEZCCKWVBJV-INIZCTEOSA-N 361.398 3.298 5 50 FGBA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 5574964 KGQVAQYWLOFLEJ-YMTOWFKASA-N 362.411 3.243 5 50 FGBA COc1cc2c(cc1OC)[C@H](C)N(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 4026912 XFFHLKFEYXGVGD-SCLBCKFNSA-N 372.421 3.265 5 50 FGBA biogenic O=C(c1cccc(F)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4123206 PQOGAIPVROBCPY-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA O=C(CSc1nccc(-c2ccco2)n1)Nc1cccc([N+](=O)[O-])c1 2790290 WEHBWXQYHJVEOT-UHFFFAOYSA-N 356.363 3.376 5 50 FGBA COCc1cc(C)nc2sc(C(=O)Nc3ccccc3[N+](=O)[O-])c(N)c12 5063586 BNNLDVIATDIEGJ-UHFFFAOYSA-N 372.406 3.494 5 50 FGBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 20508695 SAYSXUHALSAUAT-RMKNXTFCSA-N 351.406 3.066 5 50 FGBA O=Cc1cc(Br)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1163156 YHRUQDQNRPAKCK-UHFFFAOYSA-N 350.124 3.389 5 50 FGBA Cc1c(NC(=O)Nc2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 4908614 WJTQHTGLMSXXRT-UHFFFAOYSA-N 367.365 3.037 5 50 FGBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 834103 PBGSTDAJPPJYOG-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA O=[N+]([O-])c1cccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)c1 865125 NSJGAMJROSRJSY-UHFFFAOYSA-N 350.422 3.394 5 50 FGBA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1309575 KLAKUUDNQDHTNB-INIZCTEOSA-N 368.418 3.026 5 50 FGBA CON(C)C(=O)Nc1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F 1395588 UELKUTDTCQRAKX-UHFFFAOYSA-N 367.283 3.385 5 50 FGBA O=[N+]([O-])c1c(Br)nn(Cc2ccccc2)c1Br 14008024 RNMYBBCIGXBZGA-UHFFFAOYSA-N 360.993 3.365 5 50 FGBA O=C(Nc1ccc(OC[C@@H]2C[N@@]2CC2CC2)cc1)c1cccc([N+](=O)[O-])c1 1875385333 QZJJORMZHLFPFM-PGRDOPGGSA-N 367.405 3.320 5 50 FGBA COc1ccc(-c2nc(-c3ccc(OC)c([N+](=O)[O-])c3)cc(=O)o2)cc1 1116430 HUSULHHPROYADV-UHFFFAOYSA-N 354.318 3.294 5 50 FGBA COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(OC)c1 1195341 MZVYLKQZAICMJV-UHFFFAOYSA-N 361.350 3.055 5 50 FGBA CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC)c3)CC2)cc1 4703637 FHNORKHYCJVPTB-UHFFFAOYSA-N 368.437 3.161 5 50 FGBA CCOC(=O)c1cc(C)sc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 668495 NLZIQNFSKPAZNS-UHFFFAOYSA-N 364.379 3.402 5 50 FGBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)N2CCCCCC2)o1 2759884 UUFHDHOBZLCKTG-UHFFFAOYSA-N 366.805 3.411 5 50 FGBA C[C@H](CN1CCOCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 237668927 OQFSLHVDCSVCOR-CQSZACIVSA-N 361.467 3.134 5 50 FGBA O=C(C[C@H](n1cncn1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1228692 HLTWPMQNWUKOKL-NSHDSACASA-N 363.588 3.371 5 50 FGBA COc1cc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cn2)cc1Cl 3091350 CGLKIDDJAWXALN-UHFFFAOYSA-N 353.718 3.271 5 50 FGBA CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 3997688 XGWSTIPHCZHEIM-UHFFFAOYSA-N 368.345 3.352 5 50 FGBA CC(C)Oc1cncc(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 125886645 MNDYWDAOTSJEPK-UHFFFAOYSA-N 358.398 3.220 5 50 FGBA O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H](CN2CCOCC2)C1 252494668 OBMPDNIPVDHJPH-LLVKDONJSA-N 360.241 3.060 5 50 FGBA O=C(Nc1ccccc1I)c1ccccc1[N+](=O)[O-] 1230385 GVNUTYZBAIQJCO-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccc([N+](=O)[O-])c1 4950911 MVWOYLBXRJDFRS-CQSZACIVSA-N 373.390 3.199 5 50 FGBA CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccncc1 1141975 WMJRENSBGZESOT-UHFFFAOYSA-N 355.379 3.232 5 50 FGBA O=C(O)[C@@H]1CS[C@@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 4974174 AATLPWJCAZWWPS-ZANVPECISA-N 354.771 3.296 5 50 FGBA CC[N@+]12CCC[C@]34C[C@H](C(=O)OC)[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@H]4C 245253734 LZUBEVCHNPBHRZ-DCSPWCNXSA-N 367.513 3.321 5 50 FGBA CN(C)CCCN=c1c2ccc(N(C)C)cc2[nH]c2cc(N(C)C)ccc12 1083805728 UIWOQSJSDYDIQJ-UHFFFAOYSA-N 365.525 3.306 5 50 FGBA COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc([N+](=O)[O-])c1O 1227083 OFPZQUYTOADUGC-UHFFFAOYSA-N 371.437 3.248 5 50 FGBA CCc1cc(N2[C@H]3CC[C@H]2CC(O)C3)nc(-c2ccc([N+](=O)[O-])cc2)n1 110253645 JHHASCPDTZTTHE-HOTGVXAUSA-N 354.410 3.106 5 50 FGBA O=C(O[C@@H]1[C@H]2C=C[C@@]13CC[C@@H]1C[C@@]13C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 44143955 DSXZCJUYVNKFJF-SBDSSXRESA-N 356.334 3.405 5 50 FGBA CC(=O)Nc1c(C)cc(Br)c([N+](=O)[O-])c1Br 334160966 PTWTYWDXXCRTTD-UHFFFAOYSA-N 351.982 3.387 5 50 FGBA CCN1C(=O)c2cccc3c(N4CCCCC4)c([N+](=O)[O-])cc(c23)C1=O 4172071 ZFQMEBZUCXMDPS-UHFFFAOYSA-N 353.378 3.354 5 50 FGBA O=C(O)[C@H](Cc1c[nH]c2ccccc12)NSc1ccccc1[N+](=O)[O-] 28640874 VJQMAIIBZHIBSM-AWEZNQCLSA-N 357.391 3.369 5 50 FGBA Cc1ccnc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1 6401967 DRXYOICNKLSHDT-UHFFFAOYSA-N 355.354 3.005 5 50 FGBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CC(=O)OC13CCCCC3)CCC2 252441123 HDFKGZFKCUTAIJ-QLDGJZPUSA-N 364.506 3.205 5 50 FGBA biogenic NCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(C(F)(F)F)c1 4983954 MFLXQOPYJKYSQH-UHFFFAOYSA-N 368.315 3.237 5 50 FGBA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2059292 NRKBEZCCKWVBJV-MRXNPFEDSA-N 361.398 3.298 5 50 FGBA O=C1OCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(F)c1 1429665 YOOROWKUSKIHJC-HNNXBMFYSA-N 368.320 3.065 5 50 FGBA CC(C)c1nnc2n1C[C@@H](Nc1ccc3ccncc3c1[N+](=O)[O-])CC2 1875265598 WIIBJYZOXFBCEL-ZDUSSCGKSA-N 352.398 3.285 5 50 FGBA COc1cc(C(=O)NCc2cc(OC)nc3ccccc23)cc([N+](=O)[O-])c1 1875260518 AFRUYEHFOASAIJ-UHFFFAOYSA-N 367.361 3.090 5 50 FGBA COc1ccc([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 845485 LHEPONHKXUJJJK-GOSISDBHSA-N 374.418 3.500 5 50 FGBA Cc1cccc2sc(NC(=O)[C@H](C)Cn3nc([N+](=O)[O-])cc3C)nc12 2788144 VFNGYKNBGZWPGD-SNVBAGLBSA-N 359.411 3.293 5 50 FGBA O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(Br)c1 301803912 DIQHVGGJBXQXGC-MVWJERBFSA-N 354.204 3.122 5 50 FGBA CO/[S@](=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 12769712 GIFNUYPIOIDEGE-JOCHJYFZSA-N 374.827 3.359 5 50 FGBA in-vitro COc1ccc(-c2nc(SC)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 1109540 RQZRDYKEKXFIKY-UHFFFAOYSA-N 370.390 3.272 5 50 FGBA O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 1175046 KKFVFVDGHZWTLD-UHFFFAOYSA-N 353.378 3.473 5 50 FGBA CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCO1 4857590 XQHMAJVGAMPNKB-KRWDZBQOSA-N 369.421 3.140 5 50 FGBA O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc(F)cc1F 3618346 YXZNKNVNXULQSA-UHFFFAOYSA-N 354.334 3.210 5 50 FGBA CC1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 5064341 HAGOSNCSPSZTPQ-UHFFFAOYSA-N 356.220 3.028 5 50 FGBA O=c1sc2ccccc2c(N2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] 5059766 JHQNSVWXONNMBX-UHFFFAOYSA-N 367.430 3.496 5 50 FGBA O=C(NCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccccc1 2325898587 MNNUEOIYMUJQDG-UHFFFAOYSA-N 354.284 3.422 5 50 FGBA COc1ccc(OCCCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 4056108 MZGDUTSFPBHUFB-UHFFFAOYSA-N 360.366 3.410 5 50 FGBA CCO[C@H]1C[C@@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C12CCC2 154894405 BKTIRKNOJZSHNT-SJORKVTESA-N 359.426 3.263 5 50 FGBA O=C(NCc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1C2CC3CC(C2)CC1C3 444891725 YCLXLXXYOOSVQW-UHFFFAOYSA-N 369.425 3.095 5 50 FGBA Cn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](O)c1ccccc1 4843002 PPPODDLAWROAQL-HNNXBMFYSA-N 356.407 3.097 5 50 FGBA Cc1cc(N2CCC[C@H]2c2ccn[nH]2)nc(-c2cccc([N+](=O)[O-])c2)n1 170616229 NQCIKRBMMQKKNM-INIZCTEOSA-N 350.382 3.425 5 50 FGBA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1 754872 IEHGKZVJRYDEMQ-ICSRJNTNSA-N 365.389 3.473 5 50 FGBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cccnc1 2696145 JWLRHXVEURBDSR-UHFFFAOYSA-N 369.406 3.243 5 50 FGBA Cc1ccc(C)c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 1071202 OYBIEGVLGVRQFC-UHFFFAOYSA-N 367.203 3.118 5 50 FGBA Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccccc2)cc1[N+](=O)[O-] 3900815 MOCSXHBESGKBQF-MRXNPFEDSA-N 364.448 3.340 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]1CC2 4419437 FUZRCFJOLNKOIQ-XLIONFOSSA-N 365.389 3.473 5 50 FGBA O=[N+]([O-])c1cccc(NC(=S)N2CCN(Cc3cccc(F)c3)CC2)c1 20362977 SYWYSDVDLJWBHU-UHFFFAOYSA-N 374.441 3.249 5 50 FGBA CC(=O)Oc1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)oc(=O)c2c1 4270107 RWVCGTIROMAYAD-VMPITWQZSA-N 352.302 3.192 5 50 FGBA CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc([N+](=O)[O-])cc1)n2C 16134098 CUODJAHFXZATOT-ISLYRVAYSA-N 357.391 3.288 5 50 FGBA COc1cccc([C@@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1 4626295 NDQILVCMOKNEJG-HNNXBMFYSA-N 365.345 3.435 5 50 FGBA COc1cc(/C=C/c2nc(C(=O)O)c(C)s2)c([N+](=O)[O-])cc1OC 225792846 ZWTQVZGMFSNJLN-SNAWJCMRSA-N 350.352 3.246 5 50 FGBA Cc1nc(NC(=O)c2cc(Cl)nc(N3CCCC3)c2)ccc1[N+](=O)[O-] 133888218 PNAFXYMKWHWJEL-UHFFFAOYSA-N 361.789 3.199 5 50 FGBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CC(=O)OC13CCCCC3)CCC2 252441121 HDFKGZFKCUTAIJ-BZDHPDOMSA-N 364.506 3.205 5 50 FGBA biogenic CC(C)(C)c1ccc(OC[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1133976 BTPIRHFFOZSCCB-QGZVFWFLSA-N 372.421 3.062 5 50 FGBA Cc1nc([N+](=O)[O-])c(-c2noc(CSc3ccc(F)c(F)c3)n2)n1C 445617299 XQNFGUKWWTYVPF-UHFFFAOYSA-N 367.337 3.257 5 50 FGBA COc1ccc(OCCNc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 4491512 YXAWWCFMHKYPLL-UHFFFAOYSA-N 356.334 3.201 5 50 FGBA COc1ccc([C@@H]2NC(=O)NC3=C2CCc2ccccc23)cc1[N+](=O)[O-] 1109636 ZJKZXSOVMJUGKD-KRWDZBQOSA-N 351.362 3.315 5 50 FGBA Cc1ccc([N+](=O)[O-])c(OCCSc2nnnn2-c2ccccc2)c1 1749542 MNMIRVPZZUAWET-UHFFFAOYSA-N 357.395 3.050 5 50 FGBA CCN1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2F)CC1 4168636 QEASJMCWITVOBW-UHFFFAOYSA-N 350.438 3.112 5 50 FGBA O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])cc1Cl 4553357 AJGGVOGQTHEYMG-UHFFFAOYSA-N 352.681 3.371 5 50 FGBA O=C(CCCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4755397 UZIFVSJLWSGPSA-UHFFFAOYSA-N 353.422 3.266 5 50 FGBA COc1cccc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)c1 708429 AWZDSSUCTYSPIK-UHFFFAOYSA-N 361.357 3.370 5 50 FGBA Cc1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1 4006256 QGGBQVDULWEUCX-OAHLLOKOSA-N 357.391 3.345 5 50 FGBA COc1cc(OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 1121697 ISWQLGLBKKVLIX-UHFFFAOYSA-N 350.758 3.447 5 50 FGBA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 1230264 GVTQDJCNBONOMS-ICSRJNTNSA-N 365.389 3.473 5 50 FGBA O=C(NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 4840598 DLTDQSDCFNSNQK-QGZVFWFLSA-N 369.421 3.158 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 252461461 MQASNJGBUISRNK-SIMOJZIWSA-N 353.486 3.075 5 50 FGBA biogenic C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C 170607491 SPGLRMLYWRDEDN-GFCCVEGCSA-N 353.394 3.175 5 50 FGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 1135042 AIIHTLLJYZUDHP-MDZDMXLPSA-N 355.369 3.096 5 50 FGBA [O-][n+]1c2ccccc2[n+]([O-])c2cc3[nH]c(-c4ccc(Cl)cc4)nc3cc21 5739570 XBCMRJVFXUZVIT-UHFFFAOYSA-N 362.776 3.457 5 50 FGBA CSc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19782417 RBIMEIXDDYSEGP-UHFFFAOYSA-N 371.462 3.275 5 50 FGBA O=C(CSc1nc2ccccc2o1)OCC(=O)c1cccc([N+](=O)[O-])c1 1209355 WUMAZAUEMSUXCT-UHFFFAOYSA-N 372.358 3.254 5 50 FGBA CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(Cl)c2)CC1 4755433 LIZRITYTXIVFEU-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2[C@H](C1)C2(C)C 408004203 KTSOAOJUNVCYAU-RYUDHWBXSA-N 353.216 3.394 5 50 FGBA O=C(Nc1ccc(F)cc1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5041357 XJESDGWHZKINDF-UHFFFAOYSA-N 362.336 3.227 5 50 FGBA COc1cccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4685260 YQBHCHXZCSHMBS-UHFFFAOYSA-N 372.450 3.122 5 50 FGBA Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2 953202 GYRVUXSSKMTDKQ-QGZVFWFLSA-N 368.393 3.281 5 50 FGBA COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] 5090906 OMKLMZWHGOYMLY-UHFFFAOYSA-N 365.392 3.014 5 50 FGBA CCOC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H]2C=Cc3ccccc3N12 4754559 PADJWHRQCDKBAN-QGZVFWFLSA-N 364.361 3.151 5 50 FGBA CCO[C@H]1C[C@H](N(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C12CCC2 154894212 BKTIRKNOJZSHNT-IRXDYDNUSA-N 359.426 3.263 5 50 FGBA O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1)c1ccco1 4798289 INGQLEXBJYAULL-GOSISDBHSA-N 365.345 3.239 5 50 FGBA C[C@@H]1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 35590015 ZXHZASIBIRBOFG-VOZBZGINSA-N 355.350 3.484 5 50 FGBA Cc1ccc(CN2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 20363033 UYHRNRKCUITLFJ-UHFFFAOYSA-N 354.410 3.253 5 50 FGBA COc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1182982 FFQGDYICBQDMQO-BJMVGYQFSA-N 357.391 3.130 5 50 FGBA Cc1ccc(Oc2ccc3nnc(-c4cccc(F)c4)n3n2)c([N+](=O)[O-])n1 1875324336 SVNNKIBDXGJDME-UHFFFAOYSA-N 366.312 3.334 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC1CCN(C(=O)c2cccs2)CC1 4749401 ZBMWTSOTGDKGGM-UHFFFAOYSA-N 361.423 3.382 5 50 FGBA CCOC(=O)c1ccc(NC(=O)/C=C/c2cc([N+](=O)[O-])ccc2O)cc1 35349217 RWCUBAQSCUKCPO-BJMVGYQFSA-N 356.334 3.129 5 50 FGBA O=C1[C@@H]2[C@@H](C(=O)N1c1cccc([N+](=O)[O-])c1)[C@H]1C=C[C@H]2C1=C1CCCC1 169683998 QHGBGOKOMMTTJA-LAQRGFTBSA-N 350.374 3.387 5 50 FGBA O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 1114733 ZIIXKABHOHRFNJ-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CCOc1ccc(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)cc1Cl 22171097 ZBWGXWJRAJIFLF-UHFFFAOYSA-N 363.801 3.489 5 50 FGBA Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 162818316 UJTKYVLFKPWGNE-XLIONFOSSA-N 368.437 3.418 5 50 FGBA Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(N)=O)c1C 1117347 BDLMZMPXYVTPTQ-UHFFFAOYSA-N 353.787 3.278 5 50 FGBA O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1[N+](=O)[O-] 1132111 GJZHYHATGFORGE-UHFFFAOYSA-N 352.681 3.371 5 50 FGBA O=C(Nn1cc([N+](=O)[O-])cn1)c1ccc(COc2ccccc2Cl)cc1 4652244 KLFHKASFMXACOS-UHFFFAOYSA-N 372.768 3.408 5 50 FGBA COc1ccc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1Cl 1385528 UNDZQDKPHMUVKA-UHFFFAOYSA-N 373.756 3.090 5 50 FGBA Cc1ccccc1OCCNc1cc(N2CCOCC2)ccc1[N+](=O)[O-] 4359617 YKLSMJYHPNOZPF-UHFFFAOYSA-N 357.410 3.231 5 50 FGBA O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1 5077478 OPQVOCSSGRIEQB-UHFFFAOYSA-N 367.405 3.402 5 50 FGBA CC(=O)N1CCc2cc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc21 2565117 YSEYKADRONCAOZ-UHFFFAOYSA-N 359.769 3.410 5 50 FGBA Cc1onc(C(=O)N2CCC(C)CC2)c1COc1ccc([N+](=O)[O-])cc1 13641609 DFBOXNCYVNBWPE-UHFFFAOYSA-N 359.382 3.342 5 50 FGBA CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 1131914 VHIISWRRWNOZME-FMIVXFBMSA-N 353.378 3.385 5 50 FGBA O=[N+]([O-])c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 6315612 LEQSFEFOQFAWKA-UHFFFAOYSA-N 352.799 3.390 5 50 FGBA in-vitro CC(=O)Nc1ccc(OCCOC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 4799739 HNPDOHKVFRBABG-UHFFFAOYSA-N 373.365 3.489 5 50 FGBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CC(=O)OC13CCCCC3)CCC2 252441124 HDFKGZFKCUTAIJ-QSNWEANLSA-N 364.506 3.205 5 50 FGBA biogenic Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 1116362 WRPAHCXJHKWSGT-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA CCOc1ccc([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14229408 WEHOVFUIRJVLBV-LBPRGKRZSA-N 350.396 3.033 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC1CC1 55219740 VESFFKBVSZNRCB-UHFFFAOYSA-N 352.438 3.491 5 50 FGBA O=[N+]([O-])c1ccc(N2CCn3c(Br)cnc3C2)c2ncccc12 170616182 JSYUGPWQYGTXES-UHFFFAOYSA-N 374.198 3.122 5 50 FGBA O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 16667774 NBYWUJCCGNCXOM-KMKOMSMNSA-N 353.378 3.083 5 50 FGBA CC(=O)Oc1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)oc(=O)c2c1 4402801 JBVPUPDZNQHISY-RUDMXATFSA-N 352.302 3.192 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1c(C)cc(C)cc1C 3893888 CMBIPEVSFCCOKA-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1cccc([N+](=O)[O-])c1 4913129 RIJNVTAXAXIJPV-MRXNPFEDSA-N 360.410 3.452 5 50 FGBA COc1cc([C@@H]2CC(c3cccs3)=NN2C(C)=O)cc([N+](=O)[O-])c1O 253433446 XABCOIBIIAVGOX-LBPRGKRZSA-N 361.379 3.068 5 50 FGBA Cc1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1 1170709 GLCUVKDOGGNBCI-UHFFFAOYSA-N 350.330 3.491 5 50 FGBA COc1cc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)c([N+](=O)[O-])cc1OC 2906046 SIDOWLWZPZFKJI-UHFFFAOYSA-N 372.289 3.294 5 50 FGBA COc1cc(CO)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1127055 JPBLTVXYEQSVMZ-UHFFFAOYSA-N 368.183 3.437 5 50 FGBA Cc1cc(Br)ccc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2884856 FEHUWSIFBJWJLR-UHFFFAOYSA-N 367.203 3.118 5 50 FGBA COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)c1ccc([N+](=O)[O-])cc1 1204614 XMOCCKBLDOWVGT-HNNXBMFYSA-N 357.318 3.097 5 50 FGBA O=C1OCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 225591996 WSWPZLPRQJYQGR-UHFFFAOYSA-N 352.306 3.268 5 50 FGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(F)cc2)CC1 1217755 CEWAAGVHFMHCPE-RUDMXATFSA-N 355.369 3.096 5 50 FGBA N=C1NC(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1 23550156 LOJWLOJPFCINOY-OQLLNIDSSA-N 355.375 3.312 5 50 FGBA CCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1[N+](=O)[O-] 1134748 ULIFVGZVCCCVQR-UHFFFAOYSA-N 355.302 3.319 5 50 FGBA COc1cc(C=O)cc(OC)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1161118 YTBYUMOYSMVXOT-UHFFFAOYSA-N 365.725 3.297 5 50 FGBA CCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] 817511 CPJVTDFEFJBXAL-UHFFFAOYSA-N 366.171 3.403 5 50 FGBA CC[C@H](Oc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4718558 ZYDHJVBJHGTJSF-IBGZPJMESA-N 369.421 3.101 5 50 FGBA COc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)CC(=O)O3)cc1 4626308 WGQBIJUGAXFGTJ-HNNXBMFYSA-N 365.345 3.435 5 50 FGBA COc1cc(OC)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1OC 1109287 OTYCWGRYKPKJOI-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4993674 MLBUNLPMYUJGRS-MRXNPFEDSA-N 370.340 3.001 5 50 FGBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4903389 YDNHGUJDPIOPOP-IHWZXDPASA-N 364.467 3.478 5 50 FGBA O=C(O)[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17073109 NYUOMMWJPPILNO-YJBSTTGXSA-N 352.774 3.324 5 50 FGBA Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)NCc2ccccc2)o1 2764499 QBXVKNMJFBDHIZ-UHFFFAOYSA-N 374.784 3.324 5 50 FGBA CC(C)(C)O[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1n1cccn1 450879532 ZXMZZWRUQBFGON-KFNAQCHYSA-N 363.393 3.122 5 50 FGBA COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Cl 5051231 MVVZSFONKHEODJ-UHFFFAOYSA-N 372.786 3.066 5 50 FGBA Cc1nn([C@H](C)C(=O)NCc2ccc(-n3cccc3)cc2)c(C)c1[N+](=O)[O-] 4709399 ZLEYAYKTBPKSAT-OAHLLOKOSA-N 367.409 3.076 5 50 FGBA Cc1cc(O)c(C2=NCCS[C@@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 754500 TVQTZRMUIMVVAQ-OAHLLOKOSA-N 360.391 3.229 5 50 FGBA CCOC(=O)c1ccccc1OC(=O)CSc1ccccc1[N+](=O)[O-] 959451 TXADIONMXGONSY-UHFFFAOYSA-N 361.375 3.469 5 50 FGBA Cc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1 1170929 XMPMNQSRDIRNIR-UHFFFAOYSA-N 350.330 3.491 5 50 FGBA Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccccc2)cc1[N+](=O)[O-] 3900816 MOCSXHBESGKBQF-INIZCTEOSA-N 364.448 3.340 5 50 FGBA COc1ccccc1N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 4685226 BEDSTXZDQPEFRX-UHFFFAOYSA-N 372.450 3.122 5 50 FGBA O=C(O[C@@H]1[C@H]2C=C[C@@]13CC[C@@H]1C[C@]13C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 257355939 DSXZCJUYVNKFJF-ZJIISQJYSA-N 356.334 3.405 5 50 FGBA CCN(CC)CCCN1C(=O)[C@@H](C)S[C@@H]1c1ccccc1[N+](=O)[O-] 5046372 LDBRLTOWTSAQJF-CXAGYDPISA-N 351.472 3.289 5 50 FGBA CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 4993478 IGZYAPOKLQVVTJ-UHFFFAOYSA-N 350.396 3.127 5 50 FGBA O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 849415 JAXKXVHEMNPAMN-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CCOc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1 1174801 PDBWAAKKLMOQKG-UHFFFAOYSA-N 355.438 3.311 5 50 FGBA O=C(/C=C/c1ccco1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 1181597 REASYFRMAWGHCV-GQCTYLIASA-N 351.771 3.368 5 50 FGBA O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])o1 830011 JBIKQXOZLBLMKI-UHFFFAOYSA-N 358.091 3.045 5 50 FGBA COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 8970826 PKDHURVHECDYOQ-UHFFFAOYSA-N 358.379 3.211 5 50 FGBA O=C(C[C@@H]1CCOc2ccccc21)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 373117105 CEIJQSJFRVJQLC-LBPRGKRZSA-N 366.377 3.044 5 50 FGBA COc1ccc(Cc2nnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1 1150263 OOTABKYAQPDVJM-UHFFFAOYSA-N 370.390 3.298 5 50 FGBA CN1CCN(c2ccc(C(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])CC1 4983731 XYZRIUHJISFCPI-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc([N+](=O)[O-])cc1 5791235 QBQXYTOBYCFJJB-LKFCYVNXSA-N 362.411 3.243 5 50 FGBA COc1cc(C(=O)NCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 1150957 QVRHSZLGGYFPLR-UHFFFAOYSA-N 350.758 3.195 5 50 FGBA O=C(C[C@H]1CCOc2ccccc21)NCc1nc2ccc([N+](=O)[O-])cc2[nH]1 373117104 CEIJQSJFRVJQLC-GFCCVEGCSA-N 366.377 3.044 5 50 FGBA Cc1nnc([C@H]2C[C@@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)o1 2325775514 BDBBMMBJZVHWJZ-DTORHVGOSA-N 353.176 3.407 5 50 FGBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 35426852 QYHGDUIFCYJAES-IEBWSBKVSA-N 351.406 3.351 5 50 FGBA COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 4775922 CHXZTJCZUPISAQ-UHFFFAOYSA-N 351.702 3.417 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)c1ccc(O)cc1 2325862481 VUVXXBIKGRJGNE-QGZVFWFLSA-N 354.362 3.096 5 50 FGBA O=C(Nc1ccccc1I)c1ccc([N+](=O)[O-])cc1 1082226 IVHHEOLODBVPKB-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2cccc(Cl)c2)CC1 3880495 IHMAFOJPGQIQMV-UHFFFAOYSA-N 362.773 3.483 5 50 FGBA COc1cc2c(cc1OC)[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)CC2 1230781 TWPYZIOHLSPEBW-LJQANCHMSA-N 356.378 3.106 5 50 FGBA biogenic CCOC(=O)C(CCCCCOc1ccccc1[N+](=O)[O-])C(=O)OCC 4949423 QOGQYBMTBINRGV-UHFFFAOYSA-N 367.398 3.276 5 50 FGBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]21 229898056 YFAFYCQLEMIPJQ-XHSVMWQWSA-N 352.390 3.469 5 50 FGBA Cc1nc(CN2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)oc1C 170595435 CLDVCYDIGBGYLA-UHFFFAOYSA-N 364.833 3.171 5 50 FGBA CC(=O)N1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C 4812700 UOLNTFMCZNRZKJ-UHFFFAOYSA-N 353.378 3.273 5 50 FGBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)cc1 4998198 JWHYHRLYIFRVIN-MRXNPFEDSA-N 371.393 3.447 5 50 FGBA Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 862158 PWIVEAIROVLHMI-UHFFFAOYSA-N 354.391 3.365 5 50 FGBA C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cn1 252507688 WRRNCQGLGUQQNO-VIFPVBQESA-N 355.803 3.220 5 50 FGBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Br)cc1 1233018 UPPAGPASVVFPKL-UHFFFAOYSA-N 365.139 3.308 5 50 FGBA CCc1cccc(Nc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])c1 4757634 UNXPAEPVFQNYGF-UHFFFAOYSA-N 359.773 3.373 5 50 FGBA COc1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1 100342084 JVWJNOYQMUMDDU-UHFFFAOYSA-N 352.394 3.260 5 50 FGBA CO[C@@H]1[C@H]2C[C@@H]3CN(c4ccc(Br)cc4[N+](=O)[O-])[C@H]1[C@H]3C2 253417674 YMMUIKIOWRTTDR-VCBVUMKSSA-N 353.216 3.217 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 3902368 DWOJWSIEYYVOKT-INIZCTEOSA-N 366.373 3.216 5 50 FGBA Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 655958 AIWVAXLNNGBYAO-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)c(-n2nc3ccccc3n2)c1 991055 IKZFGBMZXZAAGB-UHFFFAOYSA-N 364.317 3.449 5 50 FGBA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1309574 KLAKUUDNQDHTNB-MRXNPFEDSA-N 368.418 3.026 5 50 FGBA Cc1nn(C[C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] 2795407 XSXVGCLCSVTEOY-QMMMGPOBSA-N 354.769 3.475 5 50 FGBA Cc1cc(OCCCN2C(=O)CCN2c2ccccc2)ccc1[N+](=O)[O-] 5077635 AMLDXJKHWYAQJI-UHFFFAOYSA-N 355.394 3.326 5 50 FGBA O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCCCC1 5030553 MRWIUWQBTINHTH-UHFFFAOYSA-N 361.423 3.386 5 50 FGBA CCOc1cc(C=O)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 3316919 VWTYAALCHFGISP-UHFFFAOYSA-N 359.334 3.252 5 50 FGBA N[C@H](c1ccccc1)c1noc(-c2cc(-c3ccccc3[N+](=O)[O-])on2)n1 2325873700 QJQPENVMUHQFKZ-MRXNPFEDSA-N 363.333 3.348 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSc1ccc(Cl)cc1 2994747 NSRPDFALIWMITH-UHFFFAOYSA-N 372.855 3.319 5 50 FGBA O=[N+]([O-])c1nn(Cc2ccc(/C=C3/SC(=S)N=C3O)o2)cc1Cl 17076014 MQZDTZFRJWNSHX-YCRREMRBSA-N 370.799 3.415 5 50 FGBA CC[C@@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccc([N+](=O)[O-])cc23)[C@]1(C)O 1444452 FAKNQYIOJJYMJA-QZTJIDSGSA-N 361.398 3.256 5 50 FGBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 5050825 QJIVZBIKZRFBNG-UHFFFAOYSA-N 360.458 3.034 5 50 FGBA CCN(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1 5064694 SNBDESSVUXUHJD-UHFFFAOYSA-N 355.394 3.098 5 50 FGBA CCOc1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1171068 NEVGCWHHHSXCJO-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA Nc1ccc2c3c1sc1ccccc1c3nn2CCN1CCOC1=O 96028202 TYNHZNSTGZSRGC-UHFFFAOYSA-N 352.419 3.439 5 50 FGBA COc1cccc([C@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)c1 4626296 NDQILVCMOKNEJG-OAHLLOKOSA-N 365.345 3.435 5 50 FGBA COc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl 1171562 AODQGMHJIIOAAC-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)c1ccc([N+](=O)[O-])cc1 1204616 XMOCCKBLDOWVGT-OAHLLOKOSA-N 357.318 3.097 5 50 FGBA Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1 2531714 RRCCAQMOWCCMBH-UHFFFAOYSA-N 352.803 3.386 5 50 FGBA CNc1cc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 4688281 GRFVVBSPSLDEGA-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3 4976932 YDGIMWNEOQUNER-XZELYNGVSA-N 364.467 3.334 5 50 FGBA C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)[C@H]2CCCC[C@H]21 229807582 PVHADERNHXDFBH-SKDZVZGDSA-N 369.425 3.216 5 50 FGBA Cc1cc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)cc([N+](=O)[O-])c1 121146748 RDCPNNJYJSUFHP-UHFFFAOYSA-N 351.399 3.485 5 50 FGBA O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc([N+](=O)[O-])c1 1404162 VGOOUDVWNNZRMK-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA Cc1cc(O)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C 678702 UBVZTAJGNYORPY-UHFFFAOYSA-N 359.407 3.352 5 50 FGBA Cc1cc(=O)oc2cc(OCC(=O)OC3CCCCC3)c([N+](=O)[O-])cc12 937214 UAVXPQOQFBECDR-UHFFFAOYSA-N 361.350 3.264 5 50 FGBA CC(=O)c1ccc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc1 22607791 LMYWFNNPCBUTEL-UHFFFAOYSA-N 354.369 3.389 5 50 FGBA O=[N+]([O-])c1cc(F)c(N2CCc3ccccc3C2)cc1N1CCOCC1 4168575 OGWKIRUOVDFZLM-UHFFFAOYSA-N 357.385 3.133 5 50 FGBA CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C 862355 NEWSNVHTDOSLBH-INIZCTEOSA-N 359.382 3.051 5 50 FGBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](Sc2ccc(C)cc2)C1=O 100114998 VPRGPWXLAOCGIX-INIZCTEOSA-N 372.402 3.336 5 50 FGBA CC(C)(C)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5165764 XWOBXGQPBHJMJO-GHRIWEEISA-N 367.405 3.280 5 50 FGBA Cc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 1049089 QYFOAECQZZHGMR-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA O=C(Nc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 1051959 ATSHPQCVKSOCPF-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA Cn1c(Cc2ccccc2)nnc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-] 1158556 CMLPATXOTMEUPX-UHFFFAOYSA-N 370.390 3.164 5 50 FGBA COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)c([N+](=O)[O-])c1 4998604 QPCPMFPYXILTRK-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA O=C(CCSc1ccccc1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 118690436 JOPYLQGIKCBDJB-CQSZACIVSA-N 372.450 3.185 5 50 FGBA Cc1ccc(C)c(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])c1 4707049 HDCXAFQXJBNKIO-UHFFFAOYSA-N 369.381 3.328 5 50 FGBA CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 825609 FGJPKPQMQFZPJY-FQEVSTJZSA-N 352.390 3.487 5 50 FGBA in-vitro O=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 1163009 XORAGYIPAFSNRB-UHFFFAOYSA-N 350.124 3.389 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 4565014 JSVUKUKHVYXTDW-WFASDCNBSA-N 371.315 3.238 5 50 FGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCOCC1 1117160 HKSRTSQDEKOFIR-CMDGGOBGSA-N 353.378 3.083 5 50 FGBA CCCC(=O)Nc1ccccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1115831 DOCRPONWLSEOSQ-UHFFFAOYSA-N 357.366 3.351 5 50 FGBA CCN(CC)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 25665384 QGTASLKEGGOMNW-GFCCVEGCSA-N 368.648 3.363 5 50 FGBA O=C1[C@H]2[C@H]3C=C[C@@H]([C@@H]3C3=CCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239412529 SUWDWFFXXGXLDI-TXTZMMAHSA-N 350.374 3.243 5 50 FGBA CCCCOC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 2027912 UARBLGXOVVMZID-UHFFFAOYSA-N 368.345 3.352 5 50 FGBA Cc1ccccc1O[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4759169 OIRNFHCEENCQGD-INIZCTEOSA-N 369.421 3.019 5 50 FGBA O=C1[C@H]2[C@H]3C=C[C@@H](C3C3=CCCC3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 100559381 SUWDWFFXXGXLDI-LAQRGFTBSA-N 350.374 3.243 5 50 FGBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1C2CC3CC(C2)CC1C3 4675093 DAJNKNXHCNKLJK-UHFFFAOYSA-N 356.470 3.241 5 50 FGBA CN(C)[C@@H](CNc1cc2ncnc(O)c2cc1[N+](=O)[O-])c1ccc(F)cc1 301113660 WLSXYEFNOQXINJ-KRWDZBQOSA-N 371.372 3.098 5 50 FGBA O=C(c1ccccc1F)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 4543491 UVLMHBZLOHPSHT-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA Cc1nn(Cc2cccc(C(=O)N3CCC[C@H](C)C3)c2)c(C)c1[N+](=O)[O-] 1000890 ISVPUBKPVCCCLW-ZDUSSCGKSA-N 356.426 3.329 5 50 FGBA O=C(CCCn1cc([N+](=O)[O-])cn1)NCCC12CC3CC(CC(C3)C1)C2 4784759 XUKZXBRKHNPHBA-UHFFFAOYSA-N 360.458 3.294 5 50 FGBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1O 1136502 ZTFYIICMDHZHQL-UHFFFAOYSA-N 352.140 3.420 5 50 FGBA O=C(Nc1ccc(Cl)cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1 4858401 FBWSXUBFHLQRDM-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 470572260 AJWILNYIHGCUAC-SNVBAGLBSA-N 352.416 3.331 5 50 FGBA C[C@@H](c1cccnc1)N1CCN(c2nccc3cc([N+](=O)[O-])ccc23)CC1 297106230 LMEAMEXIWNXRGM-HNNXBMFYSA-N 363.421 3.421 5 50 FGBA CCOc1ccc(CCNC(=O)c2ccccc2[N+](=O)[O-])cc1OCC 1069589 ZUAWONVAWDWLAP-UHFFFAOYSA-N 358.394 3.365 5 50 FGBA Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)cc1C 834646 DUJZALSLMFRDLM-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c(F)c1 4182469 JXZUMLSUMUKDFS-UHFFFAOYSA-N 361.348 3.402 5 50 FGBA Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])ccc12 4368251 LXAZMDULMLHIJP-LBPRGKRZSA-N 368.345 3.416 5 50 FGBA Cc1ccc(SCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4839011 NSRJJZVBKOGECN-UHFFFAOYSA-N 366.464 3.282 5 50 FGBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 253488009 VKUSZJSOAHGCMP-TVTNDZMWSA-N 356.442 3.359 5 50 FGBA O=C(Nc1nnc(C(F)(F)F)s1)c1ccc([N+](=O)[O-])c(Cl)c1 18166887 OWNDJGJSJJPPAB-UHFFFAOYSA-N 352.681 3.371 5 50 FGBA Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2 953201 GYRVUXSSKMTDKQ-KRWDZBQOSA-N 368.393 3.281 5 50 FGBA O=[N+]([O-])c1cc2c(cc1CN1CCc3c([nH]c4ccccc34)C1)OCO2 22779641 PUHQGEFGCAJRFH-UHFFFAOYSA-N 351.362 3.363 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 104229303 WPBZUGDUFCXWPV-UHFFFAOYSA-N 363.242 3.371 5 50 FGBA O=[N+]([O-])c1c(N2CCO[C@H](c3cccc(O)c3)C2)ccc2ncccc12 127319334 ZDFRUVCMZFZDRR-SFHVURJKSA-N 351.362 3.427 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(CC2CC2)c2ccccc21 170599193 GHEFZHAGENGRPQ-UHFFFAOYSA-N 353.378 3.177 5 50 FGBA Cc1ccc(F)cc1Nc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-] 4828356 VKNFYBNHXQJSRV-UHFFFAOYSA-N 363.736 3.258 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)cc1 4844716 VRXYUDZATKEOIT-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA O=C(C[C@@H](n1cncn1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1228693 HLTWPMQNWUKOKL-LLVKDONJSA-N 363.588 3.371 5 50 FGBA O=C(Nc1ccc(OC[C@H]2C[N@]2CC2CC2)cc1)c1cccc([N+](=O)[O-])c1 1875385332 QZJJORMZHLFPFM-GCJKJVERSA-N 367.405 3.320 5 50 FGBA CCOC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 2141181 FLRXQGNJLSHYRY-VIFPVBQESA-N 357.577 3.416 5 50 FGBA O=C(O)[C@@H](Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4517299 LAPUOPKWYOOCKL-OAHLLOKOSA-N 370.321 3.092 5 50 FGBA biogenic,in-vitro O=[N+]([O-])c1cncc(Cl)c1OCc1ccc(CN2CCOCC2)cc1 421834563 CIWZJVAZWWNMNB-UHFFFAOYSA-N 363.801 3.054 5 50 FGBA CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5003028 SVTPPBWDZDYCTH-UXEPBGEESA-N 373.409 3.345 5 50 FGBA Cc1ccc(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 679996 PRENJTUFQJKYSV-UHFFFAOYSA-N 350.378 3.078 5 50 FGBA O=C(C[S@](=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 4819158 KTGATXNVJKCVII-RUZDIDTESA-N 372.324 3.360 5 50 FGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1 110447912 UHHIDMDUNRHYHB-UHFFFAOYSA-N 361.295 3.439 5 50 FGBA O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1CC=C(C(F)(F)F)CC1 297521508 ONPDIHBCSXSREH-UHFFFAOYSA-N 366.299 3.320 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccccc1Cl 4742290 ZBDJZDNTZHRFCP-UHFFFAOYSA-N 356.787 3.199 5 50 FGBA O=C(O)C[C@@H](NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 3856173 PCSNPUVSQRIDSB-CQSZACIVSA-N 354.790 3.461 5 50 FGBA Cc1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4459489 MYACFFKDRYCMHF-IZZDOVSWSA-N 351.406 3.265 5 50 FGBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1)c1ccccc1 5063458 AMGZIZGIJYJNCN-INIZCTEOSA-N 355.394 3.462 5 50 FGBA Cc1cc(CNC(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccccc2n1 1422058 CBUAOBXIYKABSZ-UHFFFAOYSA-N 369.352 3.286 5 50 FGBA COc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 680999 MHBWQUMGNABVLS-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 2059290 GOCGJKLGVLPCCO-MRXNPFEDSA-N 361.398 3.298 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 4694475 PNODJKGWVRBTEU-UHFFFAOYSA-N 360.435 3.238 5 50 FGBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4117515 LHLGBYDMSOYCKP-UHFFFAOYSA-N 366.421 3.132 5 50 FGBA CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)Cc1ccc([N+](=O)[O-])cc1 1214097 LYIAFKNSSVTFMF-HNNXBMFYSA-N 373.331 3.023 5 50 FGBA Cc1ccc(C(=O)N(C)C)cc1OC(=O)Cc1cccc([N+](=O)[O-])c1C 225496387 AMHWNKYDDMBAPO-UHFFFAOYSA-N 356.378 3.062 5 50 FGBA COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)O3)cc1 4626305 KLCBKCZPQJAONC-CQSZACIVSA-N 365.345 3.435 5 50 FGBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccccc2F)CC1 1140528 CKRMLVGDLLMIEC-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 4619413 URHUERHYZKGKRZ-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA CCOc1cccc([N+](=O)[O-])c1C(=O)N(CC)Cc1ccc2c(c1)OCO2 253417939 WJKKZXOWJMFKAS-UHFFFAOYSA-N 372.377 3.385 5 50 FGBA Cc1cc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)n(-c2ccccc2)n1 2884401 XMSSLANDHUXNQG-UHFFFAOYSA-N 368.397 3.013 5 50 FGBA COc1ccccc1NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4685265 BBJXNKHQXZHXTJ-UHFFFAOYSA-N 372.450 3.122 5 50 FGBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 845689 UEHYDHNTWMRAAN-QGZVFWFLSA-N 366.377 3.170 5 50 FGBA Cc1cc([N+](=O)[O-])nn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 4727258 ZLCSLIBAPMFDAY-UHFFFAOYSA-N 353.260 3.217 5 50 FGBA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc([N+](=O)[O-])cc1 5791194 QBQXYTOBYCFJJB-YMTOWFKASA-N 362.411 3.243 5 50 FGBA CCC[C@@H](C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccn1 225800989 XMOKWWSDAFLVRB-GOSISDBHSA-N 368.437 3.222 5 50 FGBA Cc1ccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)c([N+](=O)[O-])c1 4115912 RGVXHNDMJGPULC-MRXNPFEDSA-N 368.393 3.281 5 50 FGBA O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(O)C2 118713206 OYZHXDLBEQNWHL-HOTGVXAUSA-N 367.405 3.466 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(Cl)c(Cl)c1 656076 KNDSECWRJDKHLW-UHFFFAOYSA-N 361.206 3.380 5 50 FGBA COc1ccccc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 669815 GEPBTHUZOUDEGL-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA NCCNc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 4997391 LPRATTKZRMGXBQ-UHFFFAOYSA-N 368.315 3.237 5 50 FGBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 253488008 VKUSZJSOAHGCMP-NRJQMVOHSA-N 356.442 3.359 5 50 FGBA CC(C)(C)OC(=O)Nc1c(C(=O)O)cc(Br)cc1[N+](=O)[O-] 725376883 YEOAYRDWLFRDEQ-UHFFFAOYSA-N 361.148 3.403 5 50 FGBA CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1080987 ZJGWIZJNZYERPI-QGZVFWFLSA-N 373.409 3.346 5 50 FGBA CCOc1ccc(CC(=O)n2c3c(sc2=N)CCCC3)cc1[N+](=O)[O-] 22018634 GORAKZKNZROSOO-UHFFFAOYSA-N 361.423 3.098 5 50 FGBA CC(C)C(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232916 HAAVPRKNPCFYKC-NSHDSACASA-N 355.605 3.442 5 50 FGBA O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\C=C\c1ccccc1[N+](=O)[O-] 15263249 HKOMGDUFSBUUGF-YTHZFBKKSA-N 364.313 3.224 5 50 FGBA NS(=O)(=O)c1ccc(N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 247754898 VOMGTGFQRLPDPH-FRRDWIJNSA-N 353.444 3.013 5 50 FGBA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 241446925 NPRBXPWJZGHYOU-BPKGMFCQSA-N 366.421 3.335 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@]15CC2)[C@@H]34 252461459 MQASNJGBUISRNK-BRGPDVKFSA-N 353.486 3.075 5 50 FGBA biogenic O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1cc(F)ccc1[N+](=O)[O-] 756996175 KOQURKUGUDSQIS-UHFFFAOYSA-N 353.693 3.226 5 50 FGBA O=C(Cc1nc2ccc([N+](=O)[O-])cc2[nH]c1=O)c1ccc2ccccc2c1 13212127 AJPOVDQWSJYTKK-UHFFFAOYSA-N 359.341 3.410 5 50 FGBA O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Br)cc1 752061 PJUDLWJKAXTLFD-UHFFFAOYSA-N 352.140 3.342 5 50 FGBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@H](C)N1 4117112 VNGZFJXEGLRVGO-HOTGVXAUSA-N 370.453 3.272 5 50 FGBA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 241446927 NPRBXPWJZGHYOU-OVYGPGRDSA-N 366.421 3.335 5 50 FGBA COc1ccccc1CNC(=O)COc1cc(F)c(Cl)cc1[N+](=O)[O-] 408516086 MJYIXRNBEYXTLB-UHFFFAOYSA-N 368.748 3.091 5 50 FGBA Cc1cccnc1NC(=O)C1CCN(c2cccc(C)c2[N+](=O)[O-])CC1 170602851 GYBCVKIYBOXUIK-UHFFFAOYSA-N 354.410 3.462 5 50 FGBA O=[N+]([O-])c1ccc(Sc2nnnn2-c2ccccc2)c2ncccc12 220134489 IFOCHVOERJGRCX-UHFFFAOYSA-N 350.363 3.270 5 50 FGBA C[C@@H]1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 13154812 ZXHZASIBIRBOFG-XNAIMREJSA-N 355.350 3.484 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 5122905 XGTAGTCMDCWVNQ-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1Sc2ccccc2NC1=O 949674 PPBHLRAUZCZOCE-OAHLLOKOSA-N 357.391 3.345 5 50 FGBA O=C(/N=c1\sc([N+](=O)[O-])cn1Cc1ccccc1)NC1CCCCC1 71767342 YMRFORLQGYKUJZ-ZPHPHTNESA-N 360.439 3.449 5 50 FGBA O=[N+]([O-])c1nc(Br)n(Cc2ccccc2)c1Br 813284 BWYDDQSXMWIEMS-UHFFFAOYSA-N 360.993 3.365 5 50 FGBA CC(C)OC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 943448 LRJWBCQOYYDQMW-UHFFFAOYSA-N 358.350 3.178 5 50 FGBA CCCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 4310967 KFXVIQWSJQXCSN-OAHLLOKOSA-N 373.331 3.167 5 50 FGBA O=C(Nc1cc2c(cc1Br)CCC2)c1cc([N+](=O)[O-])c[nH]1 170618654 ROCHNIKUPZEVGC-UHFFFAOYSA-N 350.172 3.426 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 828460 BGPCIRDMRGOZTC-MRXNPFEDSA-N 361.398 3.202 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CCc1ccccc1 1115391 XNHHMNDXWMWJFE-UHFFFAOYSA-N 359.407 3.049 5 50 FGBA COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1C 1212054 MTHJKUUABFJAGJ-UHFFFAOYSA-N 355.759 3.052 5 50 FGBA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 4785403 GVTQDJCNBONOMS-QUCCMNQESA-N 365.389 3.473 5 50 FGBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cnn2c(-c3ccco3)ccnc12 20607442 UPWCTDHWWKAKJE-UHFFFAOYSA-N 367.296 3.289 5 50 FGBA C[C@H](c1cccnc1)N1CCN(c2nccc3cc([N+](=O)[O-])ccc23)CC1 297106234 LMEAMEXIWNXRGM-OAHLLOKOSA-N 363.421 3.421 5 50 FGBA COCCCNc1ccc(C(=O)Nc2cccc(OC)c2)cc1[N+](=O)[O-] 5051293 BXTZDLUASYCYKN-UHFFFAOYSA-N 359.382 3.304 5 50 FGBA CCOc1ccc([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 14229405 WEHOVFUIRJVLBV-GFCCVEGCSA-N 350.396 3.033 5 50 FGBA Cc1cc2ncn(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2cc1C 1170295 AWOOCMQVNWZLNI-UHFFFAOYSA-N 365.798 3.452 5 50 FGBA CC(C)CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(F)(F)F)C1 4833368 SNFQPEWUFUCOLS-AWEZNQCLSA-N 359.304 3.094 5 50 FGBA CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)n1C 17075817 PRNAUYLTJJDXTN-UHFFFAOYSA-N 369.834 3.231 5 50 FGBA CCCCC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5092360 YOJGTBFFMQKMOP-UHFFFAOYSA-N 359.348 3.452 5 50 FGBA COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC 5015737 PHKGEAHZDWVSTQ-UHFFFAOYSA-N 361.350 3.055 5 50 FGBA COc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)c([N+](=O)[O-])c1 142063652 CKQRFIUBXBRJKO-UHFFFAOYSA-N 362.407 3.283 5 50 FGBA CCOc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1 1178819 PSNZITHFEGRQJS-UHFFFAOYSA-N 355.438 3.311 5 50 FGBA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1 1183862 VXWDGTXSUXIMSS-UHFFFAOYSA-N 353.378 3.473 5 50 FGBA CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4865420 VEZIIIVWRSRMBR-UHFFFAOYSA-N 370.361 3.291 5 50 FGBA aggregator C[C@@H]1S[C@H](c2ccccc2)N(C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1=O 1228721 VVJVBHDXKCTNIB-ULFGMLNVSA-N 358.419 3.291 5 50 FGBA O=C(O[C@@H]1[C@H]2C=C[C@@]13CC[C@H]1C[C@@]13C2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 257355938 DSXZCJUYVNKFJF-XIEQTGFUSA-N 356.334 3.405 5 50 FGBA CCCN(CC)C(=O)c1cnc2c(ccc3c(O)c([N+](=O)[O-])cnc32)c1 34033372 XUARBCHSPWMKRC-UHFFFAOYSA-N 354.366 3.269 5 50 FGBA COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCC2 670986 FAVMEZLJDAYIOJ-UHFFFAOYSA-N 360.391 3.492 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc2ccccc2o1 4561244 KXTFXOOQFGPADS-UHFFFAOYSA-N 371.374 3.476 5 50 FGBA Cc1nc2sn(CN3CCc4ccc([N+](=O)[O-])cc43)c(=O)c2c(C)c1C 170646436 QJMRTFOHXRTJNE-UHFFFAOYSA-N 370.434 3.312 5 50 FGBA COc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 5514461 YXSDOMIUBNOMAL-UHFFFAOYSA-N 351.702 3.417 5 50 FGBA N=C1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 5027435 WPIZGSFYXMRZAB-DHDCSXOGSA-N 355.375 3.312 5 50 FGBA C[C@H](CCc1ccccc1)Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-] 4687362 KZLJTSGHAWLPDM-MRXNPFEDSA-N 354.454 3.438 5 50 FGBA Cc1cccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])c1 4674073 YUASKPYMGRGXGC-UHFFFAOYSA-N 370.453 3.146 5 50 FGBA CCc1ccccc1-n1c(S)nnc1[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 6419120 VHKKLUIGAJZOTM-LBPRGKRZSA-N 372.454 3.449 5 50 FGBA O=Cc1ncc(Br)cc1OCc1ccc(F)c([N+](=O)[O-])c1 1875362248 XUJGDDBAZASPNK-UHFFFAOYSA-N 355.119 3.283 5 50 FGBA O=C(O)C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 4580730 VHBCZRHHJMJHSR-UTNBAMHJSA-N 372.421 3.443 5 50 FGBA C[C@@H](CCc1ccc(O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4981296 DGTYZWPUJOENPT-INIZCTEOSA-N 355.438 3.444 5 50 FGBA COc1ccc(-c2noc(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OC 4906631 FPZOKHCOGREJDO-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA CCc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 19522888 HPHSXOHTQIVIDP-UHFFFAOYSA-N 353.422 3.115 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]1CC2 4419436 FUZRCFJOLNKOIQ-YLJYHZDGSA-N 365.389 3.473 5 50 FGBA CN(CCCOc1cccc(Cl)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] 225704785 SLOCSQTYVGVCJB-UHFFFAOYSA-N 364.785 3.495 5 50 FGBA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 2794822 RWEXPJVFRNJXOK-UHFFFAOYSA-N 357.757 3.140 5 50 FGBA CCN(CC)CCCN1C(=O)[C@H](C)S[C@H]1c1ccccc1[N+](=O)[O-] 5046378 LDBRLTOWTSAQJF-GUYCJALGSA-N 351.472 3.289 5 50 FGBA CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)c1ccc([N+](=O)[O-])cc1 820280 JVFIWILEOKAEKK-AWEZNQCLSA-N 359.304 3.094 5 50 FGBA CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc([N+](=O)[O-])ccc1O2 95495797 RWPIXDLVVUVCCZ-UHFFFAOYSA-N 362.382 3.330 5 50 FGBA CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 1180970 QFVWPMRSXJHUFW-UHFFFAOYSA-N 359.407 3.298 5 50 FGBA Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 162818438 UJTKYVLFKPWGNE-PXNSSMCTSA-N 368.437 3.418 5 50 FGBA Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1[N+](=O)[O-] 170654226 PWCUGYQJGMVBLV-KGLIPLIRSA-N 362.430 3.276 5 50 FGBA Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cnc4ccccc4n23)c1 2488915 SVOYGXCOZKYZRH-UHFFFAOYSA-N 370.412 3.014 5 50 FGBA O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4192947 IGCFGOXRCGGVNP-ZDUSSCGKSA-N 360.757 3.010 5 50 FGBA Cn1c(C(=O)NCC[C@H](O)c2cccs2)cc2cc([N+](=O)[O-])ccc21 2325874674 WSZMCAHGLUIFRX-HNNXBMFYSA-N 359.407 3.002 5 50 FGBA Cc1noc(COc2ccccc2OCC[N+]2(C)CCOCC2)c1Cl 622053 INKZYDIFAYVILS-UHFFFAOYSA-N 367.853 3.071 5 50 FGBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 872970 AKIRAYLLRCBPCM-MRXNPFEDSA-N 371.349 3.046 5 50 FGBA COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 4819292 VEWZYHDNCFNGAI-UHFFFAOYSA-N 364.405 3.478 5 50 FGBA Cc1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1-n1cncn1 756995327 DQFQACIKHLGFOC-UHFFFAOYSA-N 371.784 3.067 5 50 FGBA CC[N@@+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 253387949 WPUKUEMZZRVAKZ-REWPJTCUSA-N 354.470 3.095 5 50 FGBA in-man C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1cc3ccccc3oc1=O)CCC2 252462695 VKUSZJSOAHGCMP-AQOAWAETSA-N 356.442 3.359 5 50 FGBA biogenic CCCCNS(=O)(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 5029686 GMYIOMCIVAJPQQ-UHFFFAOYSA-N 355.460 3.054 5 50 FGBA Cc1cccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)n1 5068391 UBCJLRFJJIVGJP-AWEZNQCLSA-N 356.382 3.141 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)Cc1ccc(Cl)cc1 2875382 FRHWDLIPUAUEQU-UHFFFAOYSA-N 356.787 3.199 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 704862 UDNJQYKHHOMWPX-UHFFFAOYSA-N 373.324 3.021 5 50 FGBA CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1ccncc1 1141848 DYWPTNKZERBOMQ-UHFFFAOYSA-N 355.379 3.232 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 4100454 JWVLENLDKBAWLF-UHFFFAOYSA-N 369.223 3.058 5 50 FGBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 162683507 WGVWLZQGYDKURN-SNVBAGLBSA-N 352.416 3.331 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 4100451 DQKVZFMQPLLPMR-UHFFFAOYSA-N 369.223 3.058 5 50 FGBA in-vitro CCCN(CC(=O)N[C@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 225649368 VYLVKPNUWDVGOV-SFHVURJKSA-N 369.421 3.451 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O 870704 KWVSALRZVKCFCX-UHFFFAOYSA-N 373.324 3.021 5 50 FGBA CN(C)c1ccc(C(=S)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 4192926 IKGOICBNMAUHDP-UHFFFAOYSA-N 370.478 3.159 5 50 FGBA Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cccc1[N+](=O)[O-] 1217614 KMIGVJIXBQFVRY-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA CCc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2978432 YSJGTJQYFOAWCY-UHFFFAOYSA-N 359.407 3.293 5 50 FGBA O=C(O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 2027104 CKZZWONCAWOIKG-UHFFFAOYSA-N 362.297 3.247 5 50 FGBA CC(C)(C)OC(=O)Nc1c(Br)cc(C(=O)O)cc1[N+](=O)[O-] 725374706 FPQPTEUGLVPZNA-UHFFFAOYSA-N 361.148 3.403 5 50 FGBA CCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1 4622096 CNRADFIJGJZQJD-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA C/C(=C/c1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4663518 DNVOJMTUXIWIIR-NXVVXOECSA-N 351.406 3.347 5 50 FGBA Cn1c2ccccc2c(=NNS(=O)(=O)c2ccccc2)c2ccccc21 4773338 GIQYLPURMBGJEU-UHFFFAOYSA-N 363.442 3.126 5 50 FGBA O=[N+]([O-])c1ccc(-c2nn3c(COc4ccccc4)nnc3s2)cc1 4853109 WJUMSYZWHCOLDG-UHFFFAOYSA-N 353.363 3.340 5 50 FGBA O=C(O)[C@H]1CS[C@H](c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)N1 4974175 AATLPWJCAZWWPS-NOZJJQNGSA-N 354.771 3.296 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 1170251 UAYKOIDDKYJGKN-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA O=C(N[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1)c1ccco1 4712925 QYSYUHFQYVQLGO-GOSISDBHSA-N 365.345 3.239 5 50 FGBA O=C(CSc1nc2ccccc2s1)Nc1ncc([N+](=O)[O-])s1 4904211 ZKGWZNUWDBTBEW-UHFFFAOYSA-N 352.422 3.392 5 50 FGBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc([N+](=O)[O-])c1 2762728 YTOIIDIVHLUIQX-UHFFFAOYSA-N 351.702 3.417 5 50 FGBA CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C 728803 ZDJNBGSCMNIGPV-MRXNPFEDSA-N 359.382 3.051 5 50 FGBA O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1NCCO 4984062 ROIWKGQJYZWVLH-UHFFFAOYSA-N 369.299 3.270 5 50 FGBA O=[N+]([O-])c1ccc(-c2noc([C@H]3CCc4nnn(C5CCC5)c4C3)n2)s1 952893235 IHCLSFDWHBQFJK-VIFPVBQESA-N 372.410 3.295 5 50 FGBA O=C(Cc1ccccc1[N+](=O)[O-])Nc1cnn(Cc2ccc(F)cc2)c1 4749663 KNIZXCKOGZDVAK-UHFFFAOYSA-N 354.341 3.160 5 50 FGBA O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC=C(c2ccccc2)C1 777813486 JUJQTJWSIKUNNI-UHFFFAOYSA-N 364.810 3.336 5 50 FGBA COc1ccc(C)cc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5063070 VNSIFUGXNIAYRD-UHFFFAOYSA-N 370.409 3.266 5 50 FGBA Cc1cc2ncn(S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2cc1C 836076 JZTHVRISBHRIII-UHFFFAOYSA-N 365.798 3.452 5 50 FGBA CC[N@+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 253387946 WPUKUEMZZRVAKZ-NFBKMPQASA-N 354.470 3.095 5 50 FGBA in-man Cc1nc2ccccc2n1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 860697 DLUVMRPVZILBOE-UHFFFAOYSA-N 351.771 3.143 5 50 FGBA in-vitro Cc1cccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1C 831825 WYRLYZANCGRXNJ-UHFFFAOYSA-N 353.422 3.482 5 50 FGBA Cc1cc([N+](=O)[O-])nn1CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 2800160 UVGYCWUUHQJFPF-KOCGSPDRSA-N 360.458 3.213 5 50 FGBA CC(C)C[C@H](CN)NC(=O)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 1340477209 OBIFMEXDDAODEZ-CYBMUJFWSA-N 373.403 3.063 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 1741694 VVYIQBKFIFFNDP-UHFFFAOYSA-N 350.262 3.295 5 50 FGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 1141728 WKUDUAZJEQGQMP-BJMVGYQFSA-N 355.369 3.096 5 50 FGBA COc1ccc(CCNc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1OC 8577561 IINNUHSWUYWCJS-UHFFFAOYSA-N 370.361 3.373 5 50 FGBA COc1ccccc1NC(=S)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 1182791 OLUXTGFUTHODHI-MDZDMXLPSA-N 357.391 3.130 5 50 FGBA CC(C)OC(=O)c1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 943461 PYHNJHWKHLTTQF-UHFFFAOYSA-N 358.350 3.178 5 50 FGBA Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(Cl)cccc32)c1C 2256666 XQJGCGUUTSSTLD-UHFFFAOYSA-N 351.793 3.449 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 170620216 IUFUFSQITZTWIW-QGZVFWFLSA-N 367.361 3.137 5 50 FGBA CC(C)(C)N[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 19333801 KNHOMBDJLXLNHC-NSHDSACASA-N 368.648 3.409 5 50 FGBA COc1cc2c(c(OC)c1OC)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 1064294 RHACCSIMXWQWJE-NSHDSACASA-N 358.350 3.095 5 50 FGBA O=C(Nc1ccc(Cl)cn1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13961524 MEOHDNIEQRFJRD-UHFFFAOYSA-N 360.801 3.498 5 50 FGBA O=c1c2cc(Cl)cc(Cl)c2oc2nc3n(c(=O)c12)CCCS3 588695 UPIIQVLFEGVESV-UHFFFAOYSA-N 355.202 3.306 5 50 FGBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nnc(-c2ccccc2)s1 8743299 SKZLGEZARDBCPI-UHFFFAOYSA-N 373.419 3.239 5 50 FGBA Cc1nn(C[C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1[N+](=O)[O-] 2795406 XSXVGCLCSVTEOY-MRVPVSSYSA-N 354.769 3.475 5 50 FGBA C[C@@H](C(=O)Nc1ncc(C(F)(F)F)cc1Cl)n1cc([N+](=O)[O-])cn1 4686644 QHSUITWYVHHODI-LURJTMIESA-N 363.683 3.058 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 4912888 CYBNXGCCCUXQGD-OAHLLOKOSA-N 360.410 3.452 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccccc2)CC1 5041949 BEJLWTTYSNDKFY-UHFFFAOYSA-N 354.410 3.381 5 50 FGBA CC(=O)Nc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1 4815167 DIYYPBLANMMJDC-UHFFFAOYSA-N 352.350 3.149 5 50 FGBA COc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1 104230441 ARYHJQAZXDOFRL-UHFFFAOYSA-N 364.270 3.172 5 50 FGBA CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1404164 RKEGZPGODGICGR-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA CC1(C)CC(=O)c2cnc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)nc2C1 1205140 XPGDXZYUGJUOAX-VOTSOKGWSA-N 366.377 3.192 5 50 FGBA COc1ccc(OC)c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)c1 3001702 PVVGNVAKDZDKRI-UHFFFAOYSA-N 361.310 3.081 5 50 FGBA Cc1ccc(OCCCCn2cnc3ccccc3c2=O)c([N+](=O)[O-])c1 4845144 KOZQEZYVWDGPHL-UHFFFAOYSA-N 353.378 3.472 5 50 FGBA COc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(C)c1 669024 SMVOBEJMKKKGPB-UHFFFAOYSA-N 366.377 3.409 5 50 FGBA COc1ccc([C@H]2CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)C2)cc1OC 1875311380 XFOVFERJBIHMME-ZDUSSCGKSA-N 368.393 3.482 5 50 FGBA O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1cccc(C(F)(F)F)c1 130776518 WKMNSWUFBSDVOQ-UHFFFAOYSA-N 365.267 3.479 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O 1234097 XZCUVKCMDXGSEN-UHFFFAOYSA-N 373.324 3.021 5 50 FGBA CCOCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1745254 MINDDACYNVDOQI-UHFFFAOYSA-N 358.350 3.040 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cncc(Br)c1 3898291 JKRNDJFCUZQGCZ-UHFFFAOYSA-N 352.144 3.013 5 50 FGBA Cc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1[N+](=O)[O-] 20352788 MFBILTWPSSJZSO-UHFFFAOYSA-N 357.385 3.000 5 50 FGBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@@H](C)N1 4117111 VNGZFJXEGLRVGO-IYBDPMFKSA-N 370.453 3.272 5 50 FGBA COc1ccc(NS(=O)(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)cc1 3876322 ZINJFVGPAXJTBC-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1cccc([N+](=O)[O-])c1C 481478313 KZKCDVMABIXLBF-UHFFFAOYSA-N 367.409 3.467 5 50 FGBA C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C(=O)OC(C)(C)C 144200027 SPGLRMLYWRDEDN-LBPRGKRZSA-N 353.394 3.175 5 50 FGBA CC(C)(C)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 854862 OYRPVLSTPUNKJK-CQSZACIVSA-N 359.304 3.094 5 50 FGBA O=C(CSc1nc(-c2ccccc2)n[nH]1)Nc1ccccc1[N+](=O)[O-] 6178870 DDYHPWVKIZCDSA-UHFFFAOYSA-N 355.379 3.111 5 50 FGBA C[C@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H](C)O1 253419363 KIDVMPGUTDMFGC-BETUJISGSA-N 371.393 3.166 5 50 FGBA O=C(c1cccc(Cl)c1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19841705 DLAATOVYIAZKJN-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA Cc1cccc(N2C(=O)C[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2COC3=O)c1 1427654 DMIUDARCLMYXKX-INIZCTEOSA-N 364.357 3.235 5 50 FGBA CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 174101446 DSJPUANYGMBTIL-UHFFFAOYSA-N 361.301 3.048 5 50 FGBA Cc1cc(NC2CCC(C(=O)O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 263547576 IENVUQOHCVRFCD-UHFFFAOYSA-N 356.382 3.416 5 50 FGBA CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 1120918 IUYYJOWRZUZZGB-UHFFFAOYSA-N 357.366 3.207 5 50 FGBA O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccc([N+](=O)[O-])cc1 5049220 RFUOSJTUMAWMRD-UHFFFAOYSA-N 354.366 3.043 5 50 FGBA CCOC(=O)c1nc(Nc2cc([N+](=O)[O-])ccc2O)c2ccccc2n1 19691353 VLKGHQOUINWHIB-UHFFFAOYSA-N 354.322 3.164 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 754126 WBTZBJZKJMXSIE-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA Cc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2=O)cc1 1049090 QYFOAECQZZHGMR-CQSZACIVSA-N 353.378 3.203 5 50 FGBA COc1cc(C(=O)Nc2nc3c(s2)CCCC3)c([N+](=O)[O-])cc1OC 1116942 JLEUFQJLLIXDBG-UHFFFAOYSA-N 363.395 3.200 5 50 FGBA CN1CCC(N(C)C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1 16552652 QOCWTGDQMLNKSR-UHFFFAOYSA-N 350.418 3.112 5 50 FGBA O=[N+]([O-])c1cccc2c(N3CCN(c4cccc(O)c4)CC3)ccnc12 1343848338 HYKCPIQHLBQFNN-UHFFFAOYSA-N 350.378 3.175 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 225848114 MHPNYDPZLRSUIH-QGZVFWFLSA-N 367.361 3.137 5 50 FGBA COc1ccc2c(c1)CC[C@@H]1C2=NN(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 4785401 GVTQDJCNBONOMS-UYAOXDASSA-N 365.389 3.473 5 50 FGBA O=[N+]([O-])c1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1 828178 AIFBXQGXBHMGMB-UHFFFAOYSA-N 358.375 3.333 5 50 FGBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 55543208 QKJCRISMEXUAQW-CYBMUJFWSA-N 353.850 3.329 5 50 FGBA C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2744982 IYFWZMSZJNNMPY-NSHDSACASA-N 350.371 3.264 5 50 FGBA O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1Nc1cccc(Cl)c1 4809051 XBHBFLKAQVZZDG-UHFFFAOYSA-N 366.164 3.464 5 50 FGBA Cc1nn(C[C@H](C)C(=O)Nc2c(F)c(F)cc(F)c2F)c(C)c1[N+](=O)[O-] 2794418 PUPFYUOPFVXMHS-LURJTMIESA-N 374.294 3.239 5 50 FGBA O=C(COC(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 853080 JUCWSDACCHSJNX-UHFFFAOYSA-N 364.151 3.397 5 50 FGBA biogenic CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1171282 XQZWTCIZZUKWJS-UHFFFAOYSA-N 357.391 3.233 5 50 FGBA O=C(c1ccccc1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4687395 BOJDCIHOVSSOCX-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA COc1cc(CN2CCN(c3cc(C)ccc3C)CC2)cc([N+](=O)[O-])c1O 4980481 XSWKMCXVYYEOON-UHFFFAOYSA-N 371.437 3.248 5 50 FGBA O=[N+]([O-])c1ccc(NC(=S)NC(=S)Nc2cccc(F)c2)cc1 4773920 HIUNICBZHNNRAM-UHFFFAOYSA-N 350.400 3.417 5 50 FGBA O=C(NCc1ccccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2761324 QNZXKGFGXYWSAL-UHFFFAOYSA-N 370.796 3.423 5 50 FGBA O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C2CCC(CC2)[C@H]1C(=O)O 17073106 NYUOMMWJPPILNO-YYRBMLDISA-N 352.774 3.324 5 50 FGBA C/C=C1/C[N@+]2([O-])[C@H]3C[C@@H]1[C@@H]1[C@@H]2C[C@@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O 261493092 SYZGOUOZLCZRJD-WMSIPSNSSA-N 350.418 3.007 5 50 FGBA biogenic CCCCNS(=O)(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4158839 LDFJACKUKWFIFF-UHFFFAOYSA-N 363.439 3.285 5 50 FGBA O=C(Nc1ccccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4841568 JRGGHHWZZXXVIZ-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 239403292 RSFVOZCECOSQGZ-JGFGOQIWSA-N 373.409 3.345 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@@H]1COc2ccccc2O1 1057267 WLSPNWZLVWNEDI-CYBMUJFWSA-N 358.350 3.162 5 50 FGBA O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 1513249 WBGCEKPQIDJFHX-UHFFFAOYSA-N 353.378 3.473 5 50 FGBA COc1ccccc1NC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1 1136426 VKAVXNSEUZXQFI-UHFFFAOYSA-N 358.350 3.066 5 50 FGBA COc1c(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cccc1[N+](=O)[O-] 1741690 ZBNZXUJJEDWVGG-UHFFFAOYSA-N 350.262 3.295 5 50 FGBA Cn1cc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cn1 2769743 OIACDOOOUUNAEE-UHFFFAOYSA-N 350.787 3.126 5 50 FGBA CC(C)(C)O[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@@H]1n1cccn1 450879531 ZXMZZWRUQBFGON-GHJWDPDVSA-N 363.393 3.122 5 50 FGBA O=c1[nH]nc(-c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 18227500 FXVJVCQKRIGNJG-CYBMUJFWSA-N 366.377 3.089 5 50 FGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H]3CCCC[C@H]3C)c(=O)oc12 1052508 RBSPWTMPPNTTTJ-YGRLFVJLSA-N 360.366 3.018 5 50 FGBA COC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 1066063 MFHFLUYZYSHXRR-UHFFFAOYSA-N 365.725 3.263 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(N(C)C(C)=O)cc1 1752577 VHVXGHGDLSGSDG-UHFFFAOYSA-N 358.354 3.230 5 50 FGBA O=[N+]([O-])c1cc(C(O)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c1Cl 3098197 UXFXOJGSXFNBDO-UHFFFAOYSA-N 368.573 3.469 5 50 FGBA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1129125 HHOWNPFMNLRGKO-UHFFFAOYSA-N 372.406 3.070 5 50 FGBA aggregator CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4757725 LXNHHQNBWSOJCU-UHFFFAOYSA-N 374.485 3.280 5 50 FGBA CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCO1 4857593 XQHMAJVGAMPNKB-QGZVFWFLSA-N 369.421 3.140 5 50 FGBA CCc1ccc([C@H]2CCCCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)o1 154984559 WVGSIQTXLKISPT-MRXNPFEDSA-N 373.409 3.056 5 50 FGBA Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 408004207 KTSOAOJUNVCYAU-VXGBXAGGSA-N 353.216 3.394 5 50 FGBA Cn1cc(CN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)cn1 2325781139 OQWKCFTUKUANCW-UHFFFAOYSA-N 366.377 3.393 5 50 FGBA CC(C)C(=O)N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 836568 DOJXRUFKUUVFKA-NSHDSACASA-N 355.605 3.442 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(Br)c2)c1 4662693 PTZJDAVTMLFLBC-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA Cc1cccc(N2CCN(Cc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)c1C 55543064 TZEFFRLIXQWZBY-UHFFFAOYSA-N 369.421 3.263 5 50 FGBA Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cccc1[N+](=O)[O-] 994014 QJKYGXVMEYWWBL-UHFFFAOYSA-N 359.407 3.195 5 50 FGBA Cc1cc([N+](=O)[O-])c2nsnc2c1N1CCO[C@@H](c2ccccc2)C1 2325862157 LCCFLZOXZIVXRK-CQSZACIVSA-N 356.407 3.486 5 50 FGBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC[C@@H]1CCCO1 957050 WHHUAIGCTQEYPB-JTQLQIEISA-N 365.329 3.428 5 50 FGBA CC(C)(C)c1ccc(OC[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1133977 BTPIRHFFOZSCCB-KRWDZBQOSA-N 372.421 3.062 5 50 FGBA Cc1ccccc1CSCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 2814681 WXXZMXFNJIJYRT-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA O=C(CSc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4550214 VAFQSWSRVFPNJE-UHFFFAOYSA-N 357.435 3.036 5 50 FGBA COc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C 722277 KZUFGAZGTZPVIM-SNVBAGLBSA-N 352.778 3.270 5 50 FGBA CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 845678 BLSDDDFBAHIOTI-KRWDZBQOSA-N 366.377 3.170 5 50 FGBA CCCN(CC(=O)N[C@@H]1CCOc2ccccc21)c1cccc([N+](=O)[O-])c1 225649340 VYLVKPNUWDVGOV-GOSISDBHSA-N 369.421 3.451 5 50 FGBA COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2[N+](=O)[O-])CC(=O)O3)cc1 4626306 KLCBKCZPQJAONC-AWEZNQCLSA-N 365.345 3.435 5 50 FGBA CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1C 730650 UQZOZHKTJDGJEN-UHFFFAOYSA-N 369.786 3.442 5 50 FGBA O=C(Nc1ccccc1I)c1cccc([N+](=O)[O-])c1 1230625 URQMQMXSAINNQV-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@H]1C2=C(C)C 100686458 PEOHBSSDDBSWLW-NQERCMRGSA-N 374.393 3.235 5 50 FGBA Cc1cc(C(=O)N2CC(OC(=O)Nc3cccc(F)c3)C2)ccc1[N+](=O)[O-] 170602403 NRWBXBUDOXDFHT-UHFFFAOYSA-N 373.340 3.115 5 50 FGBA CCN(CC)CCNc1ccc([N+](=O)[O-])c2[nH]c3ccc(O)cc3c(=O)c12 33983599 YPKPDBDMGLAMHB-UHFFFAOYSA-N 370.409 3.049 5 50 FGBA CCC(CC)CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 13322658 FQOJDEIAPBEZCI-UHFFFAOYSA-N 364.446 3.189 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]1CC2 984309 FUZRCFJOLNKOIQ-FXAWDEMLSA-N 365.389 3.473 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 17074221 QGYKRIFXDJXEDP-MRXNPFEDSA-N 360.410 3.452 5 50 FGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Br 1202592 WGFGZKQLLQACIY-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA O=C(Cn1cnc(SCc2ccccc2)n1)Nc1cccc([N+](=O)[O-])c1 2995088 YUCAYUYHERVEDL-UHFFFAOYSA-N 369.406 3.117 5 50 FGBA C[C@@H]1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 34118531 ZXHZASIBIRBOFG-DPZKZMLUSA-N 355.350 3.484 5 50 FGBA O=C(O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17073108 NYUOMMWJPPILNO-OQULHBPMSA-N 352.774 3.324 5 50 FGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)cc1 1206399 QSYNJEGYMWVCFU-RUDMXATFSA-N 353.378 3.083 5 50 FGBA Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(C(C)C)cc1 1385033 GFMZIZBYQDHHIJ-UHFFFAOYSA-N 352.394 3.422 5 50 FGBA O=C(CN1CCC[C@H]1c1cccnc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 253419923 MAKHCAYXXAFDAR-HNNXBMFYSA-N 360.801 3.419 5 50 FGBA O=c1c2cc(Br)ccc2ncn1Cc1ccccc1[N+](=O)[O-] 5898496 LFHCMOOFQHQTBC-UHFFFAOYSA-N 360.167 3.116 5 50 FGBA Cc1cc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1214315 SFLZNAFCMLLWML-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c([N+](=O)[O-])c1 4679639 LWQGHDIWAWMBHP-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA O=[N+]([O-])c1cnn(CCCc2nc(-c3ccc(C(F)(F)F)cc3)no2)c1 1432789 UTDLIVUHBPQPGP-UHFFFAOYSA-N 367.287 3.493 5 50 FGBA Cn1ccc([C@@H](NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)(F)F)c1 152413196 AFIQQQXXPSESSR-CQSZACIVSA-N 366.299 3.448 5 50 FGBA COc1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1 1144955 HQPREYZRDUOZHK-UHFFFAOYSA-N 352.350 3.106 5 50 FGBA Cc1ccccc1CSCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027812 NWYPSEWOGHIFJS-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1[N+](=O)[O-] 2861331 RKHXARPXTIWURE-UHFFFAOYSA-N 354.318 3.352 5 50 FGBA CC(C)(C)[C@]1(O)CC(C(F)(F)F)=NN1C(=O)Cc1ccc([N+](=O)[O-])cc1 1214098 LYIAFKNSSVTFMF-OAHLLOKOSA-N 373.331 3.023 5 50 FGBA COCc1cc(C)nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(N)c12 1128881 NIKOIJUQQVBNTD-UHFFFAOYSA-N 372.406 3.494 5 50 FGBA O=C(Nc1nc(C(F)(F)F)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2690566 SUMNRFZMPKIWGK-UHFFFAOYSA-N 362.245 3.231 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1c(F)c(F)c(F)c(F)c1F 4100455 FRBGHXXWGFGBSB-UHFFFAOYSA-N 369.223 3.058 5 50 FGBA Cc1ccc(C(=O)Cn2cc(-c3cccc([N+](=O)[O-])c3)n(C)c2=N)cc1 334157613 SPJZGWPXGHPHAK-UHFFFAOYSA-N 350.378 3.073 5 50 FGBA C=CC(=O)Nc1ccc(C(=O)N2CCCc3ccc([N+](=O)[O-])cc32)cc1 736017885 DNKZQEUBDNTDJM-UHFFFAOYSA-N 351.362 3.312 5 50 FGBA Cc1c(Br)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nn1C 5677945 KBCFCHLQRYARGD-UHFFFAOYSA-N 373.594 3.305 5 50 FGBA O=C1c2ccccc2C(=O)N1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1218640 PSERICXLBFDXQC-UHFFFAOYSA-N 352.224 3.204 5 50 FGBA Cc1cccc(N2C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2COC3=O)c1 1428020 AADBPSGKIHBFFM-INIZCTEOSA-N 364.357 3.235 5 50 FGBA O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCc4c[nH]nc4C3)cs2)c1 374544717 HRKZYJPPNIZHGP-CYBMUJFWSA-N 355.423 3.089 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)CC(=O)N1 1438175 HQKWZBHLOYLPQN-QGZVFWFLSA-N 366.373 3.216 5 50 FGBA CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 2059289 GOCGJKLGVLPCCO-INIZCTEOSA-N 361.398 3.298 5 50 FGBA O=[N+]([O-])c1ccccc1CN1CCN(Cc2c[nH]c3ccccc23)CC1 2501684 WKXMREPQLQSTHK-UHFFFAOYSA-N 350.422 3.394 5 50 FGBA C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 2744983 IYFWZMSZJNNMPY-LLVKDONJSA-N 350.371 3.264 5 50 FGBA COc1ccc(NC(=O)c2ccc(-n3cccn3)c([N+](=O)[O-])c2)cc1OC 1385538 KOLIPTJFMJTZNN-UHFFFAOYSA-N 368.349 3.050 5 50 FGBA Cc1nn(CC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 4650918 NYDNJMPXNNBQJB-PGBRGIIUSA-N 360.458 3.129 5 50 FGBA COc1cc2c(cc1OC)[C@@H](C)N(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 5275492 XFFHLKFEYXGVGD-ACJLOTCBSA-N 372.421 3.265 5 50 FGBA biogenic O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 52537390 FTUFEDTXTWANEA-UHFFFAOYSA-N 374.828 3.009 5 50 FGBA COc1ccc(C(=O)N2CCC[C@H](N3[C@H](C)CC[C@H]3C)C2)cc1[N+](=O)[O-] 248146193 WSZDEEVSLJCIAV-FMKPAKJESA-N 361.442 3.081 5 50 FGBA CC(C)(C)[C@@]1(O)CC(C(F)(F)F)=NN1C(=O)c1cccc([N+](=O)[O-])c1 1212657 JXEAKAOITUFUJE-AWEZNQCLSA-N 359.304 3.094 5 50 FGBA O=C(Nc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 18172623 CKWFVLVSGXQXGL-BAUKFBFWSA-N 367.409 3.121 5 50 FGBA CN1C(=O)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1c1ccccc1 170618807 FUWIONZLSUVESQ-MRXNPFEDSA-N 374.784 3.253 5 50 FGBA O=[N+]([O-])c1cccc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)c1 845499 GSNNFWZJCFMPQL-HNNXBMFYSA-N 350.421 3.031 5 50 FGBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@](C)(O)c1cccs1 276549638 HOCAAMRJPLMTTQ-OAHLLOKOSA-N 354.815 3.256 5 50 FGBA COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2oc1=O 943468 AIAOTAFSXSSCRY-CMDGGOBGSA-N 367.313 3.268 5 50 FGBA C[C@@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 993978 LZLXRQKUCGYDET-SECBINFHSA-N 359.407 3.132 5 50 FGBA CC(C)OC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 2845053 MKCBUHRZFQXVJJ-UHFFFAOYSA-N 357.362 3.446 5 50 FGBA Cc1nn(-c2cc(N3CCCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4358027 ZVTUYYJGQBTYGB-UHFFFAOYSA-N 350.378 3.203 5 50 FGBA CCc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 2867278 LNUOQQYDEYUFFB-UHFFFAOYSA-N 353.422 3.428 5 50 FGBA COc1ccc([C@H]2CC(=O)Oc3[nH]nc(-c4cccc([N+](=O)[O-])c4)c32)cc1 4626328 SZMIIIKHBGIRSQ-OAHLLOKOSA-N 365.345 3.435 5 50 FGBA COc1cc(CNCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC 19721021 LLQYHDWSRWJKMH-UHFFFAOYSA-N 355.394 3.426 5 50 FGBA C[C@@H]([C@@H](C)NC(=O)c1cc2ccccc2c2cccnc12)N1CCOCC1 225548484 GLTGMDVDUDSCJN-CVEARBPZSA-N 363.461 3.227 5 50 FGBA O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@H]3CCOC3)CC2)s1 328592199 MFKWGWHTVKSDQT-HNNXBMFYSA-N 373.478 3.230 5 50 FGBA CC[N@+]12CCC[C@]34C[C@H](C(=O)OC)[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@@H]4C 245253735 LZUBEVCHNPBHRZ-HMPOWLJOSA-N 367.513 3.321 5 50 FGBA O=C(c1cc2ccccc2[nH]c1=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 179150315 GQWZURWCWPNEDQ-UHFFFAOYSA-N 363.373 3.241 5 50 FGBA CN1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccccc2Cl)CC1 5049228 WOGZFCMBPXJNFI-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA in-vitro CCOc1ccccc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 753663 JXVFPWKWWNGWPZ-UHFFFAOYSA-N 369.421 3.264 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(F)c3)CC2)cc1 13522566 YMYPIZORVBBSDA-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1n[nH]cc1[N+](=O)[O-] 6447870 KMPUZPLKFVYNSI-UHFFFAOYSA-N 373.438 3.495 5 50 FGBA C[C@@H]1C[N@@+]2([O-])C[C@H]3CCC4=C5[C@H](CC4)[C@H](C(=O)O)C[C@@]54C(=O)[C@@H]1C[C@@H]2[C@@]34C 299817755 RYVGXCFPXHFNSQ-GCYUWPRZSA-N 371.477 3.136 5 50 FGBA biogenic COc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)c(C)c1 2763443 FFFDCCPRUBQOQG-UHFFFAOYSA-N 356.338 3.002 5 50 FGBA CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4580847 YZFQEVJRECTQQB-QGZVFWFLSA-N 372.377 3.328 5 50 FGBA NCCOc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95580747 DIMJVBOEXNWPOG-UHFFFAOYSA-N 370.192 3.491 5 50 FGBA in-vitro C[C@@H](CN1CCOCC1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 237507628 OQFSLHVDCSVCOR-AWEZNQCLSA-N 361.467 3.134 5 50 FGBA Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1NS(=O)(=O)c1ccccc1 3464034 LIWLURVONIHXNV-UHFFFAOYSA-N 372.406 3.198 5 50 FGBA COc1ccc(OC)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 104229321 MXIKOOWWETVPGL-UHFFFAOYSA-N 364.270 3.172 5 50 FGBA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 1180863 FNHJXKJDFBSQFO-GQCTYLIASA-N 351.771 3.368 5 50 FGBA CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 827207 JOLYGXZKHZSCIG-AWEZNQCLSA-N 353.378 3.149 5 50 FGBA Cc1cc(N(CC2CCC2)[C@@H](C)CO)nc(-c2cccc([N+](=O)[O-])c2)n1 225535047 OFVJMSYLQKVUCY-AWEZNQCLSA-N 356.426 3.348 5 50 FGBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)Cc2ccccc2)CC1 1101742 LHFDKSKDEOSZCS-UHFFFAOYSA-N 367.405 3.015 5 50 FGBA Cc1ccc(CONC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cc1 2794698 JMKWQAQJYAZDGT-UHFFFAOYSA-N 366.377 3.010 5 50 FGBA CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccc([N+](=O)[O-])c1)C2=O 19318762 FEAVHXXNIBLCEV-UHFFFAOYSA-N 357.454 3.092 5 50 FGBA biogenic O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Cl)cc2)CC1 19782513 FRTIOTMHRIMBQZ-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA O=[N+]([O-])c1cccc(NC(=S)Nc2ncn(Cc3ccc(F)cc3)n2)c1 6633306 SYPIRAHHJKHFDR-UHFFFAOYSA-N 372.385 3.183 5 50 FGBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 4524269 QYHGDUIFCYJAES-HKUYNNGSSA-N 351.406 3.351 5 50 FGBA CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 4653231 ZIBPZWSMRWNFAC-QGZVFWFLSA-N 372.377 3.028 5 50 FGBA O=[N+]([O-])c1sccc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 225698192 KYDGMXSXAHODRZ-UHFFFAOYSA-N 352.315 3.476 5 50 FGBA Cc1ccc(-c2nc(NC(=O)c3nn(C)cc3[N+](=O)[O-])sc2C)cc1 653070 PBXYGMKBGMKPOV-UHFFFAOYSA-N 357.395 3.321 5 50 FGBA O=[N+]([O-])c1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1 100708630 NTLGLLUFNPMSHA-UHFFFAOYSA-N 367.365 3.160 5 50 FGBA O=C(Nc1ccc(F)cc1F)c1ccn(COc2ccccc2[N+](=O)[O-])n1 2800503 HHLCPWCJAMNKFQ-UHFFFAOYSA-N 374.303 3.358 5 50 FGBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccccc3)c2)C[C@@H](C)N1 4117113 VNGZFJXEGLRVGO-HZPDHXFCSA-N 370.453 3.272 5 50 FGBA Cc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1C 944429 VDXLLRUQONZXIO-UHFFFAOYSA-N 353.422 3.482 5 50 FGBA CC(C)C(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 1232915 HAAVPRKNPCFYKC-LLVKDONJSA-N 355.605 3.442 5 50 FGBA CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1C 1218731 RRNJHXKYEMXUME-UHFFFAOYSA-N 369.786 3.442 5 50 FGBA CCNc1cc(N2CCN(C(=O)c3ccccc3C)CC2)ccc1[N+](=O)[O-] 4703632 HVIQYERZEUNFJM-UHFFFAOYSA-N 368.437 3.297 5 50 FGBA CN1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 4757954 KKCQPBIMZSCUIO-UHFFFAOYSA-N 374.828 3.252 5 50 FGBA Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1[N+](=O)[O-] 5090917 MUFJFBHIYXHKEQ-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA CCc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 4851347 VNXQHAQBHXKXLD-AWEZNQCLSA-N 353.378 3.149 5 50 FGBA CCOc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1OC 55543588 GAXNTMGYFVCRBK-UHFFFAOYSA-N 371.437 3.324 5 50 FGBA Cc1cccc([N+](=O)[O-])c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 229707607 ZIUSHNFASWRKRZ-FAAHXZRKSA-N 362.426 3.389 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccco1 5092623 JYQMCDAJLZHOEA-RVDMUPIBSA-N 367.317 3.190 5 50 FGBA COC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc1 169803830 DHNJPOUSJWWGEF-UHFFFAOYSA-N 350.718 3.074 5 50 FGBA COc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] 1311028 GOJAKCYGJKFOEZ-UHFFFAOYSA-N 366.171 3.322 5 50 FGBA COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 2982686 LPOHJWGDVVPKMI-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA O=C(C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1 952018 DWRLEMDHSFGCKK-VWLOTQADSA-N 373.308 3.327 5 50 FGBA NC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 657009 JJZCILCSEOHMRV-UHFFFAOYSA-N 373.434 3.205 5 50 FGBA Nc1c(C(=O)N(C2CCCC2)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 3878386 NNCJAJSXCZOEHI-UHFFFAOYSA-N 362.386 3.413 5 50 FGBA Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2F)c(C)c1[N+](=O)[O-] 651578 WYWKLCIITJDZLX-UHFFFAOYSA-N 360.267 3.205 5 50 FGBA C[C@@H]1C[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC(C)(C)C1 183832959 QVKQLXSARMNOBH-KFWWJZLASA-N 360.458 3.465 5 50 FGBA O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1 5050867 JNQNEQHMENANLY-UHFFFAOYSA-N 363.370 3.044 5 50 FGBA CC(=O)c1cccc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])c1 4757912 WOLAWRSEQLPQSV-UHFFFAOYSA-N 373.756 3.014 5 50 FGBA COC(=O)[C@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 252441262 MQASNJGBUISRNK-HDLMTQSKSA-N 353.486 3.075 5 50 FGBA O=C(c1cccc(Br)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 4291022 CTLFBUKXTDDRJK-UHFFFAOYSA-N 364.151 3.360 5 50 FGBA COc1c(C(=O)N2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)cccc1[N+](=O)[O-] 894379287 AGRZUPXOVSZYLK-BONVTDFDSA-N 358.316 3.408 5 50 FGBA O=[N+]([O-])c1ccc(C2=[N+]3CCCCCN3[C@](O)(c3ccccc3)C2)cc1 5738089 COWBRUNJVSTFDB-HXUWFJFHSA-N 352.414 3.046 5 50 FGBA CC(C)C(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 4865564 DYIVXJQJKFOIQE-UHFFFAOYSA-N 357.366 3.207 5 50 FGBA O=C(Nc1cc(F)ccc1F)c1cn(Cc2ccc([N+](=O)[O-])cc2)cn1 71775354 SBDCRLOUSBGEGP-UHFFFAOYSA-N 358.304 3.370 5 50 FGBA C[C@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 5069366 LFXXPPYSOASHHV-AWEZNQCLSA-N 355.394 3.240 5 50 FGBA O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1[N+](=O)[O-] 955071 KAIBGPKOQXJQPX-UHFFFAOYSA-N 351.314 3.409 5 50 FGBA aggregator CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc([N+](=O)[O-])c1 2979719 PEDKYECXTNAYOU-UHFFFAOYSA-N 371.393 3.141 5 50 FGBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccccc2)c(Cl)c1 4512916 DACOWPQTBNSSGQ-UHFFFAOYSA-N 369.830 3.029 5 50 FGBA O=C(Nc1ccc(OC[C@@H]2C[N@]2CC2CC2)cc1)c1cccc([N+](=O)[O-])c1 1875385331 QZJJORMZHLFPFM-AVRDEDQJSA-N 367.405 3.320 5 50 FGBA CCOC(=O)C[C@@](C)(NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)C 170599917 ITHTYTUGLBPRMB-PDFOZTTASA-N 366.389 3.231 5 50 FGBA COCc1cc(C)nc2sc(C(=O)c3cccc([N+](=O)[O-])c3)c(N)c12 1185674 BMLMHEKZZPZFOZ-UHFFFAOYSA-N 357.391 3.473 5 50 FGBA Cc1nc(-c2cccc(NC(=O)Cc3cccc([N+](=O)[O-])c3C)c2)n[nH]1 162243319 KPMZPXBHTQVQSK-UHFFFAOYSA-N 351.366 3.178 5 50 FGBA O=[N+]([O-])c1cnc(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)nc1 302217300 KCZFNRRBEGQLAV-UHFFFAOYSA-N 350.260 3.333 5 50 FGBA CCNc1cc(N2CCN(C(=O)c3ccccc3F)CC2)ccc1[N+](=O)[O-] 4703614 YVSSWFGOALYOTD-UHFFFAOYSA-N 372.400 3.128 5 50 FGBA CC(C)CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(C(F)(F)F)C1 4833367 SNFQPEWUFUCOLS-CQSZACIVSA-N 359.304 3.094 5 50 FGBA CCOc1ccc(NC(=O)c2nc(SC)ncc2Cl)c([N+](=O)[O-])c1 4820838 SEECSQPZNIQYPJ-UHFFFAOYSA-N 368.802 3.411 5 50 FGBA O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1ccc2c(c1)OCO2 1234130 RDEZDDMVMTZZPL-ACAGNQJTSA-N 372.720 3.321 5 50 FGBA O=[N+]([O-])c1cccc(OCCCN2CCN(Cc3ccccc3)CC2)c1 4833262 PJKQCFDPJOTHCI-UHFFFAOYSA-N 355.438 3.182 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 5090858 YDAVGXIOZHPFHV-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 1174570 GANRRQASSITALZ-UHFFFAOYSA-N 363.370 3.259 5 50 FGBA CCOC(=O)C[C@H](NC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 3622449 TUJGVSWVBXRNTE-KRWDZBQOSA-N 356.378 3.328 5 50 FGBA COc1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)cc1[N+](=O)[O-] 1055362 ZKYVOTVPOGTSBZ-UHFFFAOYSA-N 366.377 3.409 5 50 FGBA Cc1nn([C@H](C)c2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] 2808776 SFWZORSVEQNEGX-SNVBAGLBSA-N 371.426 3.287 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 170620215 IUFUFSQITZTWIW-KRWDZBQOSA-N 367.361 3.137 5 50 FGBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1 4740937 MNCAICKYIWNFRT-UHFFFAOYSA-N 369.421 3.264 5 50 FGBA CC1=NNC(=O)[C@H]1CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 170626707 QDSJWQGYPYSBKV-ZETCQYMHSA-N 364.711 3.191 5 50 FGBA CCOc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 4982193 BJOKZIKNHSQBOF-UHFFFAOYSA-N 363.370 3.259 5 50 FGBA COc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)sc1Br 155940106 DEBBQMAWAOVDMK-UHFFFAOYSA-N 373.184 3.385 5 50 FGBA COc1cccc(N2CCN(C(=O)CCC3CCCC3)CC2)c1[N+](=O)[O-] 170598657 BWJAKUJUNQSGBJ-UHFFFAOYSA-N 361.442 3.222 5 50 FGBA COc1ccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)cc1 4983967 LRULJABSRXBARK-INIZCTEOSA-N 371.393 3.447 5 50 FGBA C[C@@H](Nc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 5069367 LFXXPPYSOASHHV-CQSZACIVSA-N 355.394 3.240 5 50 FGBA CC1(C)CC(=O)c2sc(NC(=O)Cc3ccccc3[N+](=O)[O-])nc2C1 2827176 VHMHCWVCTKLNMU-UHFFFAOYSA-N 359.407 3.388 5 50 FGBA O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc(O)c1-c1ccccc1 10059013 SOZLLFSKQNPBJM-UHFFFAOYSA-N 355.375 3.343 5 50 FGBA CCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cc1[N+](=O)[O-] 4158836 XCWPQNAFQMQIFW-UHFFFAOYSA-N 363.439 3.285 5 50 FGBA NC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC2 673299 AOKBIUPGVQPXLR-UHFFFAOYSA-N 365.798 3.150 5 50 FGBA O=C(O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845300 BNHYZIKHNVKZQJ-UHFFFAOYSA-N 352.228 3.022 5 50 FGBA Cc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1[N+](=O)[O-] 6520649 PUZFCNAFTQQMEK-UHFFFAOYSA-N 358.485 3.247 5 50 FGBA CC(=O)c1ccc(-c2ccc(/C=C\c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)cc1 32690732 DTIRTOFHTRIFEG-VURMDHGXSA-N 367.317 3.017 5 50 FGBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccccn1)c1ccccc1 3073200 QQAZXRHMWWVRGN-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)C(C)C 2841806 YNQUIFBNQQYHSI-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@](C)(O)c1cccs1 276549634 HOCAAMRJPLMTTQ-HNNXBMFYSA-N 354.815 3.256 5 50 FGBA Cc1cc(O)c(C2=NCCS[C@H](c3cccc([N+](=O)[O-])c3)C2)c(=O)o1 754501 TVQTZRMUIMVVAQ-HNNXBMFYSA-N 360.391 3.229 5 50 FGBA O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 4872742 UMRMUJNSTFCZHJ-UHFFFAOYSA-N 360.391 3.238 5 50 FGBA COc1ccc([C@H]2Cc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])N2C)cc1OC 4623319 NQGPPVWKGMHXHH-CYBMUJFWSA-N 359.338 3.254 5 50 FGBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(Cl)c1 1429842 TVNKLPTVFHASHC-UHFFFAOYSA-N 373.594 3.154 5 50 FGBA O=C1CCC(=O)N1CCCn1c2ccccc2c2nc3ccccc3nc21 4744629 PBZMSKYSVBNKJM-UHFFFAOYSA-N 358.401 3.277 5 50 FGBA COC(=O)[C@H]1C[C@@]23CCC[N@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 252441263 MQASNJGBUISRNK-ITDGFTIESA-N 353.486 3.075 5 50 FGBA Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1Br 2860929 QCNLAMRVUYYIMA-UHFFFAOYSA-N 366.171 3.078 5 50 FGBA O=C(O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 17073107 NYUOMMWJPPILNO-FPFWAFECSA-N 352.774 3.324 5 50 FGBA C[C@@]1(Cc2ccccc2)CCCN1c1nc2ccccn2c(=O)c1[N+](=O)[O-] 170596923 KRPPYQDJTNJXRK-FQEVSTJZSA-N 364.405 3.204 5 50 FGBA O=c1[nH]c(/C=C\c2cccc(Oc3ccccc3)c2)nc(O)c1[N+](=O)[O-] 16362160 RPCDQFZZCZFJQB-KTKRTIGZSA-N 351.318 3.346 5 50 FGBA O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc([N+](=O)[O-])c(F)c1 4163238 CIIQNKSFLUHSOR-CQSZACIVSA-N 361.354 3.176 5 50 FGBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4687544 MADJYABJXZCAKC-UHFFFAOYSA-N 359.348 3.308 5 50 FGBA Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc([N+](=O)[O-])cc2)c1 5927945 BDESQTGRDDMDKG-UHFFFAOYSA-N 369.406 3.162 5 50 FGBA Cc1cccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2[N+](=O)[O-])c1 8683311 UJLWFZLSSCSBHX-UHFFFAOYSA-N 365.349 3.131 5 50 FGBA COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)CC2 744342 PWAXCUKAUHHGEI-GFCCVEGCSA-N 356.378 3.372 5 50 FGBA biogenic Cn1ccc(C(=O)Nc2cc(Sc3ccccn3)cc([N+](=O)[O-])c2)n1 13208428 IRPQNQIXCZRTBP-UHFFFAOYSA-N 355.379 3.127 5 50 FGBA CC[N@+]12CCC[C@@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@@H](C(=O)OC)C4 252441490 YOKGTQLQSKMMCL-RQQIBWCDSA-N 367.513 3.465 5 50 FGBA biogenic C[C@H]1CCCN(c2ccc(C(=O)NO[C@H]3CCCCO3)cc2[N+](=O)[O-])C1 240555671 GXDARJKYACVGNA-GUYCJALGSA-N 363.414 3.019 5 50 FGBA NS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 169809498 NYHVTJDITISMAJ-UHFFFAOYSA-N 362.285 3.053 5 50 FGBA O=C(CCCOc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4819057 IRXSLKKGKYRRJG-UHFFFAOYSA-N 369.421 3.103 5 50 FGBA Cc1nnc2n1-c1ccc([N+](=O)[O-])cc1C(c1ccccc1Cl)=NC2 39206261 XJRGLCAWBRZUFC-UHFFFAOYSA-N 353.769 3.488 5 50 FGBA in-vitro O=C(c1cccc(Cl)c1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19900004 UDNIZKISZRWRBL-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA COc1ccc(CSc2nnc(-c3ccncc3)n2C)cc1[N+](=O)[O-] 4869311 AKUMWPKYSPOIGC-UHFFFAOYSA-N 357.395 3.086 5 50 FGBA CCn1ncc(Br)c1C(=O)Nc1cc([N+](=O)[O-])ccc1C 1002109 MPFMIFFTLBLJEZ-UHFFFAOYSA-N 353.176 3.134 5 50 FGBA CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)N(CC)C1=S 1144023 LTHHKJZFEWMBSQ-FOWTUZBSSA-N 370.434 3.195 5 50 FGBA O=[N+]([O-])c1ccc(/C=C/S(=O)(=O)NCc2ccc(Cl)cc2)cc1 1398379 IXDXRFDWFWBXOV-MDZDMXLPSA-N 352.799 3.339 5 50 FGBA CCc1c(-c2nnc(SCn3cc([N+](=O)[O-])cn3)n2C)csc1C 17074911 ZUSBPUDBXQDFFG-UHFFFAOYSA-N 364.456 3.269 5 50 FGBA COc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 820735 XGUOPWWASPRPKC-UHFFFAOYSA-N 356.363 3.374 5 50 FGBA CCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1 5064489 ADMZRNWGICVHJA-UHFFFAOYSA-N 355.394 3.098 5 50 FGBA CCc1ccc(OCCNc2cc(NC[C@H](C)O)ccc2[N+](=O)[O-])cc1 4359011 SGZQTTOYIXCRIH-AWEZNQCLSA-N 359.426 3.441 5 50 FGBA O=c1[nH]cnc2cc(N3CC[C@@H](Cc4ccc(F)cc4)C3)c([N+](=O)[O-])cc12 119935613 YTMSXKSYCQWBMH-ZDUSSCGKSA-N 368.368 3.039 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)C(C)C)c1 1135131 NCCCREIEKBIJTE-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA CCOC(=O)C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 4653450 OHQNFVOWSPMMHA-MRXNPFEDSA-N 356.378 3.328 5 50 FGBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)N1CCCC1 1132474 SQHUJGNQODCTIJ-UHFFFAOYSA-N 353.378 3.012 5 50 FGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2cccs2)s1 2090017 PCIGEIKUHDSMSD-UHFFFAOYSA-N 362.392 3.192 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1 20405584 XMRXWVYUCHGLIS-UHFFFAOYSA-N 352.316 3.335 5 50 FGBA COCCCNc1ccc(C(=O)Nc2ccc(OC)cc2)cc1[N+](=O)[O-] 5050469 NQGLOMGUENSNCM-UHFFFAOYSA-N 359.382 3.304 5 50 FGBA CCC[C@H](C)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)[nH]n1 162683649 WGVWLZQGYDKURN-JTQLQIEISA-N 352.416 3.331 5 50 FGBA CN1CCN(c2ccc([N+](=O)[O-])c(Sc3nc4ccccc4[nH]3)c2)CC1 3876205 KIARFLACFIUZAE-UHFFFAOYSA-N 369.450 3.374 5 50 FGBA O=c1[nH]nc(-c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)c2ccccc12 18227498 FXVJVCQKRIGNJG-ZDUSSCGKSA-N 366.377 3.089 5 50 FGBA CC(C)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 2677592 BAALNQYLLASKMO-PDGQHHTCSA-N 367.405 3.138 5 50 FGBA C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 252438256 NZQAMVZESVCLSF-YOANILIBSA-N 360.410 3.092 5 50 FGBA COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1[N+](=O)[O-] 1180010 ZZQOZEYZBSYFQN-UHFFFAOYSA-N 369.421 3.183 5 50 FGBA CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1cnc2ccccc2n1 225512184 QLLTZWQAQDPQRH-IBGZPJMESA-N 361.361 3.236 5 50 FGBA CC1=NNC(=O)[C@@H]1CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 170626706 QDSJWQGYPYSBKV-SSDOTTSWSA-N 364.711 3.191 5 50 FGBA O=[N+]([O-])c1ccc(NC(=S)N2CCN(CCc3ccccc3)CC2)cc1 4749345 FJAPPODYOJIPAG-UHFFFAOYSA-N 370.478 3.152 5 50 FGBA C[C@H](CNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-])c1ccccc1 4828708 BJRHGDQVAMMPMF-GFCCVEGCSA-N 373.800 3.283 5 50 FGBA Cc1cccc(N2C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C3=C2COC3=O)c1 1428021 AADBPSGKIHBFFM-MRXNPFEDSA-N 364.357 3.235 5 50 FGBA O=Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 1163644 YWTSYTSGCQYEHT-UHFFFAOYSA-N 350.124 3.389 5 50 FGBA Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1Br 2840856 DMTIJWTTYUAJTI-UHFFFAOYSA-N 366.171 3.078 5 50 FGBA O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O)c1ccccc1 4954743 RIGXBXPAOGDDIG-UHFFFAOYSA-N 351.771 3.081 5 50 FGBA biogenic,in-vitro O=C1NC(=O)/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)S1 974925 IHWOKOKVANPIHW-OQLLNIDSSA-N 356.359 3.498 5 50 FGBA CCNc1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1[N+](=O)[O-] 4703615 BGMDWFBSZKBHCY-UHFFFAOYSA-N 368.437 3.297 5 50 FGBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2[N+](=O)[O-])cc1 4593218 SINFOIRGFRCLIG-INIZCTEOSA-N 372.377 3.329 5 50 FGBA CCc1onc(C)c1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 253425873 FFMKNKIQGWFMTL-UHFFFAOYSA-N 363.754 3.047 5 50 FGBA COc1cccc(C2=CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c1 170601042 CJLYUKHNPDAGJP-UHFFFAOYSA-N 354.362 3.239 5 50 FGBA O=C(O)C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc([N+](=O)[O-])c1 4580729 VHBCZRHHJMJHSR-ANCGMVAHSA-N 372.421 3.443 5 50 FGBA CC(=O)Cc1nsc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)n1 1900876 ZKUABTRJNYLBBC-UHFFFAOYSA-N 372.362 3.090 5 50 FGBA CCOc1ccc(NC(=O)c2cc3ccccc3oc2=O)c([N+](=O)[O-])c1 4159136 LNAPUSGLRTZULF-UHFFFAOYSA-N 354.318 3.352 5 50 FGBA CC[C@@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C12CC3CC(CC(C3)C1)C2 4625676 FFOZHAKNBLANOR-LZUXJJCOSA-N 360.458 3.211 5 50 FGBA CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 5003027 SVTPPBWDZDYCTH-RGYTYGDFSA-N 373.409 3.345 5 50 FGBA Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1[N+](=O)[O-] 673719 YTYZECWHGNKQKO-VIFPVBQESA-N 373.434 3.441 5 50 FGBA O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCN(c2ccccc2F)CC1 1114832 OLHMWJFGCICBSZ-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@@H]1c1cnc2ccccc2n1 225512153 QLLTZWQAQDPQRH-LJQANCHMSA-N 361.361 3.236 5 50 FGBA Cc1cc(=O)oc2cc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)ccc12 49952457 FAENHSBNMDQUOY-GFCCVEGCSA-N 368.345 3.416 5 50 FGBA CC1CCN(CC(=O)Nc2ccc(Br)cc2[N+](=O)[O-])CC1 5064756 FSRSBDFGQBERFO-UHFFFAOYSA-N 356.220 3.028 5 50 FGBA CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C 728804 ZDJNBGSCMNIGPV-INIZCTEOSA-N 359.382 3.051 5 50 FGBA CC(C)(C)N[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19300984 ZOTUCVGZJLMMQI-LLVKDONJSA-N 368.648 3.409 5 50 FGBA COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)cc1Cl 1229875 YSMIVPNFXZVBOV-UHFFFAOYSA-N 372.786 3.066 5 50 FGBA COc1ccc(Cl)cc1NC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C 1428854 ZZCQRLJKYYVNNK-UHFFFAOYSA-N 366.805 3.489 5 50 FGBA NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 240551467 GUCRONADMVFYIN-UDZFHETQSA-N 357.332 3.236 5 50 FGBA COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cn2)cc1Cl 2861545 ZIOYWEGGCXBNTQ-UHFFFAOYSA-N 353.787 3.383 5 50 FGBA O=[N+]([O-])c1ccc2c(c1)C=Nn1c(COc3ccccc3)nnc1S2 1061859 DVBOSLDONQPVGM-UHFFFAOYSA-N 353.363 3.112 5 50 FGBA O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 241446928 NPRBXPWJZGHYOU-UHDSXZAQSA-N 366.421 3.335 5 50 FGBA O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(c2cccc(Cl)c2)CC1 1191833 ZWWBFTMJZOFJMY-UHFFFAOYSA-N 359.813 3.140 5 50 FGBA COc1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1OC 2982219 MNWSTQHZUXFFRM-UHFFFAOYSA-N 362.407 3.484 5 50 FGBA COC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 4677216 DUBSGLMNHCLIND-UHFFFAOYSA-N 369.377 3.234 5 50 FGBA CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4855720 CEICFMKFVNVIPK-UHFFFAOYSA-N 355.394 3.246 5 50 FGBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(I)cc1 4699812 NDRYUQURNXESDM-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA Cc1cc(C)c(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 1628069 BEIGNEMTMAUGLV-UHFFFAOYSA-N 366.351 3.196 5 50 FGBA Cc1nc2ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc2nc1C 1165017 QMSNVZVJRXBFIP-UHFFFAOYSA-N 365.345 3.195 5 50 FGBA Cc1ccc([N+](=O)[O-])c(OCCOCCN2CCc3ccccc3C2)c1 2844384 NCAFXHQRYAJYNE-UHFFFAOYSA-N 356.422 3.357 5 50 FGBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Cl 2874482 WYQCCLOBXXMRFL-UHFFFAOYSA-N 356.787 3.366 5 50 FGBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(Br)c1 2882015 FVTPYNMUUIMWJV-UHFFFAOYSA-N 368.212 3.483 5 50 FGBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(NC(=O)c2ccco2)c1 35867452 WPYKARHJSUGXTA-UHFFFAOYSA-N 367.317 3.398 5 50 FGBA COc1ccc(Cl)cc1NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C 722276 KZUFGAZGTZPVIM-JTQLQIEISA-N 352.778 3.270 5 50 FGBA CN(C)c1ccc(NC(=O)NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 2172802 ODSNHQBQYLBMAC-UHFFFAOYSA-N 361.333 3.154 5 50 FGBA COc1cc([C@H]2CC(c3cccs3)=NN2C(C)=O)cc([N+](=O)[O-])c1O 253433445 XABCOIBIIAVGOX-GFCCVEGCSA-N 361.379 3.068 5 50 FGBA CNC(=S)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 170620229 AVOOOYAVAIYEQU-QGZVFWFLSA-N 370.434 3.259 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CC[C@H]1COc2ccccc2O1 1057265 WLSPNWZLVWNEDI-ZDUSSCGKSA-N 358.350 3.162 5 50 FGBA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 910927 ZVUQFISMSPPNDN-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA Cc1cc([C@H](O)CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1O 2325875297 MOIYDCFQQVVGQA-QGZVFWFLSA-N 350.802 3.428 5 50 FGBA COc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1[N+](=O)[O-] 1176364 GIAZROPJRVOGMF-UHFFFAOYSA-N 370.405 3.082 5 50 FGBA COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(OC)c1 4983526 PQJMTWZRDYSIQY-UHFFFAOYSA-N 371.393 3.465 5 50 FGBA CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 1123005 FPIQUMIJXISFTN-UHFFFAOYSA-N 369.406 3.243 5 50 FGBA O=C(Cc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3904014 URGJMFPKQVAGQD-UHFFFAOYSA-N 359.813 3.140 5 50 FGBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)cc1 4182700 FTHBLHCZDYCTLW-UHFFFAOYSA-N 369.830 3.029 5 50 FGBA O=C(NC[C@H]1CCCO1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 4865770 NAKFXYZVODONKB-MRXNPFEDSA-N 355.394 3.116 5 50 FGBA COc1ccccc1-c1nnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 4734906 DGCUHZCPCMRUMV-UHFFFAOYSA-N 353.363 3.437 5 50 FGBA COc1ccc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 1182914 ZFMNZUKIKFNNPV-UHFFFAOYSA-N 365.392 3.014 5 50 FGBA CCn1nc(C)c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1C 1093678 DQLSYIPQNAPYMF-UHFFFAOYSA-N 364.361 3.382 5 50 FGBA COc1ccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4845492 CBEXTOUZOHASDF-UHFFFAOYSA-N 356.787 3.082 5 50 FGBA CN(C)c1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 240407395 FLWWGGLVXDJKSF-UHFFFAOYSA-N 350.378 3.139 5 50 FGBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 4117076 GVTZMKNKMGOFHE-UHFFFAOYSA-N 364.199 3.199 5 50 FGBA COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 1171381 AQLICJJBTOOKKI-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2cccc(Cl)c2)c1=N 334157586 OZYHORLAUHSACB-UHFFFAOYSA-N 370.796 3.418 5 50 FGBA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 1128598 SZKXFLCVDXGWOQ-UHFFFAOYSA-N 370.434 3.322 5 50 FGBA aggregator Cc1nn(CCCC(=O)Nc2nc3ccccc3s2)c(C)c1[N+](=O)[O-] 1429860 DSSKXVCHGJXJIC-UHFFFAOYSA-N 359.411 3.437 5 50 FGBA COc1cccc2c1oc(=O)c1c(NC(C)=O)nc(-c3cccs3)nc12 1114794 IYLOOUFGBLIPNZ-UHFFFAOYSA-N 367.386 3.432 5 50 FGBA CCOC1=N[C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 4982272 PBCGKBLCCNXYEK-BZSNNMDCSA-N 352.394 3.384 5 50 FGBA O=C(Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4755213 XVVGYFPNQLWHPA-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA Cc1cc(O)c(C2=NCCS[C@@H](c3ccccc3[N+](=O)[O-])C2)c(=O)o1 754498 CFKZJJIXFWTWON-OAHLLOKOSA-N 360.391 3.229 5 50 FGBA C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC(C)(C)C1 248585540 QVKQLXSARMNOBH-RBSFLKMASA-N 360.458 3.465 5 50 FGBA C/C=C1/C[N@+]2([O-])[C@H]3C[C@@H]1[C@H]1[C@@H]2C[C@@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O 261493091 SYZGOUOZLCZRJD-CEWXNZBLSA-N 350.418 3.007 5 50 FGBA biogenic CO/[S@@](=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 1159266 GIFNUYPIOIDEGE-QFIPXVFZSA-N 374.827 3.359 5 50 FGBA in-vitro Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1CN1CCOCC1 19618863 OCUPISKBZNLRTI-UHFFFAOYSA-N 370.405 3.263 5 50 FGBA O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1)c1ccco1 4712924 QYSYUHFQYVQLGO-SFHVURJKSA-N 365.345 3.239 5 50 FGBA O=C(c1cnn(-c2ccc(F)cc2F)c1)N1CCc2cc([N+](=O)[O-])ccc21 130165888 WCULFFOTYFTCNC-UHFFFAOYSA-N 370.315 3.262 5 50 FGBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4703617 SQJOXQDNEJGWPG-UHFFFAOYSA-N 374.485 3.280 5 50 FGBA O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 4732703 XAKPASIXPSBWRB-UHFFFAOYSA-N 363.214 3.220 5 50 FGBA CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1 1174693 HAIATHORUBNGRO-UHFFFAOYSA-N 372.406 3.070 5 50 FGBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 252512425 QKMRCTHHTPHFHE-LQAWEQHXSA-N 371.393 3.022 5 50 FGBA Cc1csc(Sc2ccc(C(=O)N3CCCO3)cc2[N+](=O)[O-])n1 158857364 PELDUHABKNFJAF-UHFFFAOYSA-N 351.409 3.288 5 50 FGBA C[C@@H](c1ccccc1)n1cnc2c(c1=O)c1nc3ccccc3nc1n2C 4840458 TULDBGHHEWHYKO-ZDUSSCGKSA-N 355.401 3.441 5 50 FGBA Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1195634 KVPJXUIIUIHCDP-MRXNPFEDSA-N 364.448 3.340 5 50 FGBA C[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 4675967 YPMMCVMAWRHUSE-MRXNPFEDSA-N 353.422 3.437 5 50 FGBA Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCC2)cccc1[N+](=O)[O-] 2813094 KBVSFLUZSFZHIM-UHFFFAOYSA-N 353.378 3.392 5 50 FGBA O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccccc1[N+](=O)[O-] 4813873 OMYRJZAAZQXWJD-UHFFFAOYSA-N 356.313 3.355 5 50 FGBA C[C@H](Cc1c[nH]c2ccccc12)NC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1 821446067 QOLHYMMFUTZWME-GFCCVEGCSA-N 366.377 3.147 5 50 FGBA O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(F)cc3)sc2c1 898072 CLDXLRRETAFXDQ-UHFFFAOYSA-N 353.356 3.144 5 50 FGBA COC(=O)c1sccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 4999125 YSCZNBAKCIKJTB-UHFFFAOYSA-N 367.408 3.260 5 50 FGBA O=C(CSc1nnc(-c2cccnc2)s1)Nc1ccc([N+](=O)[O-])cc1 4726184 NZCAXNYEBMJNEP-UHFFFAOYSA-N 373.419 3.239 5 50 FGBA Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2sc(O)nc2c1 2325852319 ZRLBTCRIICXWGI-UHFFFAOYSA-N 365.392 3.019 5 50 FGBA N[C@@H](c1ccccc1)c1noc(-c2cc(-c3ccccc3[N+](=O)[O-])on2)n1 2325873699 QJQPENVMUHQFKZ-INIZCTEOSA-N 363.333 3.348 5 50 FGBA O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(F)c1 1429611 JKSZPZJMHIFMMD-HNNXBMFYSA-N 368.320 3.065 5 50 FGBA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@@H](C)CO1 164778584 ZPGPWOYHLQJKMG-UGSOOPFHSA-N 356.378 3.211 5 50 FGBA O=C(O)c1ccc(/C=C/c2ccc(C(=O)O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 71773456 LSIRFWJQXQJPKC-OWOJBTEDSA-N 358.262 3.070 5 50 FGBA O=c1[nH]c(O)nc(/C=C/c2ccc(OCc3ccccc3)cc2)c1[N+](=O)[O-] 5050043 PXJPJGWBKXPMPQ-DHZHZOJOSA-N 365.345 3.133 5 50 FGBA Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)NCCNC(=O)OC(C)(C)C 170609573 YOWZWBYDGRVVRS-UHFFFAOYSA-N 372.809 3.203 5 50 FGBA O=c1c2ccc(N3CCOCC3)c3cccc(c32)c2nc3ccccc3n12 821782 QLINCTSRWVHIMB-UHFFFAOYSA-N 355.397 3.429 5 50 FGBA O=C(Oc1ccccc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2981355 RAIAKZHXMQQXEN-UHFFFAOYSA-N 367.111 3.485 5 50 FGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccccc2)CC1 17073298 DQWQRWMZAFWJOX-UHFFFAOYSA-N 354.410 3.253 5 50 FGBA COc1ccc(NC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])c1 4680711 YLDLGNGKDJQCKW-UHFFFAOYSA-N 359.363 3.475 5 50 FGBA Cc1ccc(Nc2cc(N3CCOCC3)c3nonc3c2[N+](=O)[O-])c(C)c1 4754551 BPYGVEMCMZEZJD-UHFFFAOYSA-N 369.381 3.328 5 50 FGBA CC[C@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccc([N+](=O)[O-])cc23)[C@@]1(C)O 1444449 FAKNQYIOJJYMJA-ROUUACIJSA-N 361.398 3.256 5 50 FGBA COc1cc([N+](=O)[O-])c(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 4582446 BKQPCLFPOKGRLL-UHFFFAOYSA-N 356.787 3.366 5 50 FGBA Cc1ccc(C(=O)COC(=O)CCC(=O)c2ccccc2)cc1[N+](=O)[O-] 2985051 KXILKASTBXNELT-UHFFFAOYSA-N 355.346 3.292 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Br 1227970 JRWHFNLDKLFELW-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1C(F)(F)F 721015 MJNJRCBURUIRPR-UHFFFAOYSA-N 362.695 3.411 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(F)cc2)CC1 830007 JRXRPSANMOQSQI-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA Cc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3[N+](=O)[O-])ccc12 4845737 FDKOEVKQRAMVSH-UHFFFAOYSA-N 354.318 3.027 5 50 FGBA CCC(C)(C)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 2110505 WJOMETTULQBNOH-UHFFFAOYSA-N 365.371 3.294 5 50 FGBA O=C(Nc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 1227225 XPRVODPEKJGMQY-UHFFFAOYSA-N 368.130 3.452 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2ccccc12 4594058 BUTTXGBFLRVHJZ-UHFFFAOYSA-N 373.434 3.214 5 50 FGBA O=C(COc1ccc(Cl)cc1)NC(=S)Nc1ccccc1[N+](=O)[O-] 3880710 ODBPZDVSJCSMMF-UHFFFAOYSA-N 365.798 3.140 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1Cl 4622094 SLOCAUUNDYRITB-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1cccc([N+](=O)[O-])c1 5574955 KGQVAQYWLOFLEJ-OTYXRUKQSA-N 362.411 3.243 5 50 FGBA COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@@+]1([O-])CC2 253961060 QYEMUDHNCZHUKC-JTSKRJEESA-N 371.433 3.389 5 50 FGBA biogenic,in-vitro O=C(OCCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)o1 2088033 XMBGRADILWYXMZ-UHFFFAOYSA-N 356.128 3.186 5 50 FGBA Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1[N+](=O)[O-] 1073055 WTEQCMXTYQYHOT-UHFFFAOYSA-N 353.422 3.482 5 50 FGBA CC[N@@+]12CCC[C@@]34CC[C@@]5(Nc6ccccc6[C@]5(CC1)[C@H]32)[C@@H](C(=O)OC)C4 252441491 YOKGTQLQSKMMCL-ULTVHGMOSA-N 367.513 3.465 5 50 FGBA O=[N+]([O-])c1ccc(NCCNC(=S)Nc2ccc(Cl)cc2)nc1 18285610 GTAATVIYORCZLL-UHFFFAOYSA-N 351.819 3.042 5 50 FGBA COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C[N@+]1([O-])CC2 253961059 QYEMUDHNCZHUKC-HTAPYJJXSA-N 371.433 3.389 5 50 FGBA biogenic,in-vitro O=[N+]([O-])c1cccc(C2=NN3C(Cc4ccccc4)=NSC3=NC2)c1 4528538 ULLOIXLZDGNCMO-UHFFFAOYSA-N 351.391 3.274 5 50 FGBA Cc1cc(N[C@@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 253418343 OMRFWCYMNDDFLO-MRXNPFEDSA-N 367.413 3.298 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 4912891 CYBNXGCCCUXQGD-HNNXBMFYSA-N 360.410 3.452 5 50 FGBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2ccc(Cl)cc2)c1=N 334157608 RWHNBSPCAWXDGF-UHFFFAOYSA-N 370.796 3.418 5 50 FGBA O=C(CS(=O)(=O)c1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 1111539 BUXVGZCFTOQICB-UHFFFAOYSA-N 355.371 3.405 5 50 FGBA N=C(NC1CCCCC1)c1cc(I)cc([N+](=O)[O-])c1 4014370 MFZRYMPLIQBOTI-UHFFFAOYSA-N 373.194 3.447 5 50 FGBA COc1cc2c(c([N+](=O)[O-])c1)C(=O)N(CCCN(C)C)c1ccccc1O2 4745727 YWDCLGJGLURBDD-UHFFFAOYSA-N 371.393 3.308 5 50 FGBA Cn1c(C(F)F)cc(=O)n1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F 1875281281 ZQOFKQNNANBGKI-UHFFFAOYSA-N 351.231 3.100 5 50 FGBA Cc1cccc(N2C[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)c1 4840684 XGHSTKAPEQSPCI-CQSZACIVSA-N 353.378 3.203 5 50 FGBA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 55543209 QKJCRISMEXUAQW-ZDUSSCGKSA-N 353.850 3.329 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)N1 1107218 AEJVIQOOHVSVHV-QGZVFWFLSA-N 366.373 3.216 5 50 FGBA O=C(Nc1nc(-c2ccc([N+](=O)[O-])o2)cs1)c1ccc([N+](=O)[O-])cc1 2546625 UDZVEJUQSILUEF-UHFFFAOYSA-N 360.307 3.472 5 50 FGBA O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(=O)N2CCCCC2)cc1 4805951 FHRBFAJOSSBWCB-UHFFFAOYSA-N 367.405 3.402 5 50 FGBA CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 4653477 FDUQUNHEFYIJLG-KRWDZBQOSA-N 356.378 3.328 5 50 FGBA O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 5101479 GYCCDVYLHDTBFN-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Br)c(Cl)c1 1099973 YSNGRTLJAWJWMF-UHFFFAOYSA-N 373.594 3.154 5 50 FGBA Cc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)cc1[N+](=O)[O-] 4117306 FQOZLMKURXAASM-UHFFFAOYSA-N 361.348 3.144 5 50 FGBA CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 2478727 KAPZDSSMJXUENZ-KRWDZBQOSA-N 357.391 3.332 5 50 FGBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 2843447 ZPBHEIYFGSVANR-UHFFFAOYSA-N 363.214 3.220 5 50 FGBA Cc1cccc2c(CCNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c[nH]c12 2820636 UFZLGGHXTHONOW-UHFFFAOYSA-N 368.349 3.265 5 50 FGBA O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCN(c2ccccc2Cl)CC1 3880494 YNNZVEJTTUWCJT-UHFFFAOYSA-N 362.773 3.483 5 50 FGBA N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c3ccccc3c(=O)c2c1 6548546 WINNAKHIQUIPDH-SFHVURJKSA-N 357.413 3.190 5 50 FGBA O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 19607193 NCZSIJUZXINDED-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA O=C(O)[C@H](Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4517297 LAPUOPKWYOOCKL-HNNXBMFYSA-N 370.321 3.092 5 50 FGBA biogenic,in-vitro O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 19798405 ZGTNQDGLLNHIRX-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)oc12 1052503 RBSPWTMPPNTTTJ-IINYFYTJSA-N 360.366 3.018 5 50 FGBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 4117349 IDPVOFRTBORUDZ-HNNXBMFYSA-N 368.437 3.436 5 50 FGBA CCOC(=O)c1ccccc1NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] 1191479 ZHEPQHLVKVBGAW-UHFFFAOYSA-N 374.349 3.041 5 50 FGBA O=C1[C@@H]2[C@H]3C=C[C@@H](C3C3=CCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 239412528 SUWDWFFXXGXLDI-CWLKWCNXSA-N 350.374 3.243 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(CC(=O)O)cc1 4999127 KSAOESXAQMWRHN-UHFFFAOYSA-N 361.379 3.039 5 50 FGBA O=C(Cn1c(=O)sc2cccc(Cl)c21)Oc1ccccc1[N+](=O)[O-] 6227235 XFCNJVFOKIYPAX-UHFFFAOYSA-N 364.766 3.230 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1cccc([N+](=O)[O-])c1 4913136 RIJNVTAXAXIJPV-INIZCTEOSA-N 360.410 3.452 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17075745 WUZJEQLAVYXNOO-UHFFFAOYSA-N 369.465 3.321 5 50 FGBA Cc1cc(=O)oc2cc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)ccc12 49952458 FAENHSBNMDQUOY-LBPRGKRZSA-N 368.345 3.416 5 50 FGBA COc1cc(CN2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])cc1OC 1225356 LPDPPNSDKPRERN-UHFFFAOYSA-N 363.458 3.062 5 50 FGBA CC(C)c1noc([C@@]23CCC[C@@H]2CN(Cc2cc(O)ccc2[N+](=O)[O-])C3)n1 241124397 JHYREGUZMADZTA-AUUYWEPGSA-N 372.425 3.361 5 50 FGBA O=C(Cc1c[nH]c2cc(F)ccc12)N1CCc2c(cccc2[N+](=O)[O-])C1 119494489 FKNHKJLETYXXAY-UHFFFAOYSA-N 353.353 3.343 5 50 FGBA CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(c1ccc(Br)cc1[N+](=O)[O-])C[C@@H]3C2 253417666 YMMUIKIOWRTTDR-NOORDTQPSA-N 353.216 3.217 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc1[N+](=O)[O-] 1145393 QSZWOEOHKZRNJQ-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA O=C1Nc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)c3cccc1c23 3876312 LFCLFZFCLVWNJI-UHFFFAOYSA-N 369.358 3.115 5 50 FGBA O=C(O)c1ccc2c(c1)CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC2 2325773403 TWTUCIPLUSEILL-HWKANZROSA-N 352.390 3.407 5 50 FGBA CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 755563 ACBHUKLQYWDWKE-AWEZNQCLSA-N 353.850 3.329 5 50 FGBA CCCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O 40398818 BEODBIBBLWQSJP-UHFFFAOYSA-N 359.429 3.364 5 50 FGBA O=c1c2ccc(N3CCOCC3)cc2c2nccc3c4cc(O)ccc4n1c32 1875388119 NOBZJOAIGLCDML-UHFFFAOYSA-N 371.396 3.134 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)c1 5028143 ZPIVLVRBYLGIFS-UHFFFAOYSA-N 372.855 3.319 5 50 FGBA CC[C@H](C(=O)OC)n1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O 951896 GJKPWWHPEWGDFA-CYBMUJFWSA-N 373.390 3.157 5 50 FGBA C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@H](C)N1CCOCC1 225548421 GLTGMDVDUDSCJN-HOTGVXAUSA-N 363.461 3.227 5 50 FGBA Cc1ccc(CSCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5050214 VJVSVKBFWPTTAS-UHFFFAOYSA-N 366.464 3.115 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 4680135 OJYQUERGDFGJJR-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA Cc1ccc(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4740435 BGLIUSAVULTTKB-UHFFFAOYSA-N 371.462 3.344 5 50 FGBA O=C(CCSc1ccccc1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 118690434 JOPYLQGIKCBDJB-AWEZNQCLSA-N 372.450 3.185 5 50 FGBA Cc1cccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)c1C 5014208 GLWLJAHVAUPTMN-CQSZACIVSA-N 353.378 3.203 5 50 FGBA CCOC(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc1C 944165 HXVXVEALBAGTHD-BQYQJAHWSA-N 361.379 3.188 5 50 FGBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3ccccc3c2)cc1 4359161 AEWYXCVWXGNEAJ-UHFFFAOYSA-N 371.418 3.138 5 50 FGBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 755564 ACBHUKLQYWDWKE-CQSZACIVSA-N 353.850 3.329 5 50 FGBA CC(=O)N1c2ccc([N+](=O)[O-])cc2N(C(C)=O)c2ccc([N+](=O)[O-])cc21 4952559 ZLYWNGWTEOHJMW-UHFFFAOYSA-N 356.294 3.186 5 50 FGBA CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4993673 MLBUNLPMYUJGRS-INIZCTEOSA-N 370.340 3.001 5 50 FGBA Cn1nc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4164452 CBNBVYMUIGOVNB-UHFFFAOYSA-N 350.378 3.109 5 50 FGBA O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)c1 5027831 AHXZGANBWFILEK-UHFFFAOYSA-N 361.206 3.380 5 50 FGBA COc1cc([N+](=O)[O-])cc2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c(=O)oc12 1052506 RBSPWTMPPNTTTJ-HZMBPMFUSA-N 360.366 3.018 5 50 FGBA COc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4056107 BWVRVQKVDLXCJZ-UHFFFAOYSA-N 360.366 3.410 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C/C=C/c2ccccc2)CC1 55518279 QLKHOCSCZRFCEB-QPJJXVBHSA-N 366.421 3.458 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2=C(C)C)[C@H]1C(=O)O 239174047 PEOHBSSDDBSWLW-MWDDYTRKSA-N 374.393 3.235 5 50 FGBA COc1ccccc1N1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 4923900 KJMFKFSAOJIZAG-SOFGYWHQSA-N 353.422 3.439 5 50 FGBA C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)[C@@H](C)N1CCOCC1 225548454 GLTGMDVDUDSCJN-JKSUJKDBSA-N 363.461 3.227 5 50 FGBA Cc1cc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)no1 1216970 AHPHJKAFJKJHFQ-UHFFFAOYSA-N 365.301 3.484 5 50 FGBA O=C(O)C[C@H](c1cc([N+](=O)[O-])ccc1Cl)N1C(=O)c2ccccc2C1=O 1304636 CNGWHVBWTIIPBT-CQSZACIVSA-N 374.736 3.060 5 50 FGBA O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 68576586 WGAXJEXVOSVLFY-UHFFFAOYSA-N 350.199 3.112 5 50 FGBA biogenic O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1cccc([N+](=O)[O-])c1 1140894 VQZHRVXMOHFLDK-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 4037586 ANNVZIUIKYZINM-WEVVVXLNSA-N 358.350 3.273 5 50 FGBA COC(=O)[C@@H](C)N(C(=O)c1ccccc1[N+](=O)[O-])c1c(C)cccc1C 1229651 QOGQSYIBEJACEU-CQSZACIVSA-N 356.378 3.420 5 50 FGBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc([N+](=O)[O-])cc1Cl 247857222 UQBAKTVALYMRNV-VQISRLSMSA-N 366.801 3.195 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccccc1 4560978 JVLSGTKMFGKLIF-JXMROGBWSA-N 357.391 3.130 5 50 FGBA COC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 1398060 SMEOJIRAXUAZCH-UHFFFAOYSA-N 369.782 3.009 5 50 FGBA O=C(N[C@H](Nc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1)c1ccco1 4798285 INGQLEXBJYAULL-SFHVURJKSA-N 365.345 3.239 5 50 FGBA COc1ccc(NC(=O)c2ccc(NC[C@H]3CCCO3)c([N+](=O)[O-])c2)cc1 4983971 LRULJABSRXBARK-MRXNPFEDSA-N 371.393 3.447 5 50 FGBA O=C(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cccc([N+](=O)[O-])c1 2795477 CJUPFVUZCSPTOT-UHFFFAOYSA-N 357.757 3.140 5 50 FGBA Cc1c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] 296664853 FXTKERNLBTVTOK-QWHCGFSZSA-N 372.381 3.489 5 50 FGBA COc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1180114 OURJPGQVWAGDJB-CMDGGOBGSA-N 357.391 3.130 5 50 FGBA COc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 5123626 NLKKRZRYQCDHQN-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cc(C3CCC3)nn2C)c1 2325735062 SNUQIJUWOZVSQE-UHFFFAOYSA-N 364.427 3.013 5 50 FGBA O=C(NCc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1[N+](=O)[O-] 369507261 VWMAUPFHBGZDFX-UHFFFAOYSA-N 358.741 3.228 5 50 FGBA O=C1C[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)c2cc3c(cc2N1)CCC3 1072384 HOQMDGPCOGNYCH-LBPRGKRZSA-N 352.346 3.286 5 50 FGBA Cc1nn(CCCC(=O)NCCc2c[nH]c3ccccc23)c(C)c1[N+](=O)[O-] 4743331 ZQKOEMBODYYZOW-UHFFFAOYSA-N 369.425 3.029 5 50 FGBA Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2=O)c1 4840685 XGHSTKAPEQSPCI-AWEZNQCLSA-N 353.378 3.203 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C 171306116 HDYWOHRLZIAAHQ-QGZVFWFLSA-N 355.394 3.291 5 50 FGBA CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1189050 ZENCHNPYALUEBP-INIZCTEOSA-N 359.382 3.099 5 50 FGBA O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 2943179 KTKKXAWKEIZHHE-LLVKDONJSA-N 359.769 3.240 5 50 FGBA O=C(Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4837850 CYAZJBRSWZGFCX-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CCn1ccnc1[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 225478995 XYMMJYVNWYCIJF-MRXNPFEDSA-N 358.398 3.329 5 50 FGBA Cc1cc(N[C@H](c2nncn2C)C(C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 253418340 OMRFWCYMNDDFLO-INIZCTEOSA-N 367.413 3.298 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 19782445 URCZYSZWKKSPPH-UHFFFAOYSA-N 364.405 3.034 5 50 FGBA Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccc([N+](=O)[O-])cc1 4524506 QYHGDUIFCYJAES-PKOBYXMFSA-N 351.406 3.351 5 50 FGBA CCc1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 4838452 NZSFJUXLDRTZAI-AWEZNQCLSA-N 353.378 3.149 5 50 FGBA CCC(CC)COC(=O)C1=C(C)NC(=O)C[C@H]1c1ccc([N+](=O)[O-])cc1 17074222 QGYKRIFXDJXEDP-INIZCTEOSA-N 360.410 3.452 5 50 FGBA C[C@@H]1S[C@H](c2ccccc2)N(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1=O 13571515 VVJVBHDXKCTNIB-BJOOFOGMSA-N 358.419 3.291 5 50 FGBA COc1ccc(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1OC 1200647 HKVSISQEBLLWPK-UHFFFAOYSA-N 364.785 3.238 5 50 FGBA CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4705977 YIYVAKQNGDFWDA-UHFFFAOYSA-N 374.309 3.212 5 50 FGBA COC(=O)c1sccc1NC(=O)COc1ccc([N+](=O)[O-])cc1Cl 5719939 ZLQFAQNBUYVAQC-UHFFFAOYSA-N 370.770 3.114 5 50 FGBA Cc1cccc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2Cl)n1 225400707 LOBYTWVIUZZZQE-UHFFFAOYSA-N 355.803 3.085 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O 1233575 SBUPYQFCYZXLDX-UHFFFAOYSA-N 373.324 3.021 5 50 FGBA COc1cc(OC)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1Cl 1115929 BRTWJFWEGGRYBV-UHFFFAOYSA-N 366.757 3.283 5 50 FGBA COC(=O)[C@@H]1C[C@@]23CCC[N@@+]4(C)CC[C@@]5(c6ccccc6N[C@@]15CC2)[C@H]34 239159697 MQASNJGBUISRNK-KBRBLQCXSA-N 353.486 3.075 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)cc1C 1108548 VQFSZCRDOLMPKS-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1ccc(OC)c(OC)c1 240465838 GARXABBMEHAHDQ-UHFFFAOYSA-N 360.366 3.319 5 50 FGBA COC(=O)c1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 5041682 GMZTUGSZZQJIMK-UHFFFAOYSA-N 361.379 3.199 5 50 FGBA C[C@@H]1C[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC(C)(C)C1 183832927 QVKQLXSARMNOBH-ILXRZTDVSA-N 360.458 3.465 5 50 FGBA O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1I 674830 QQTFCYTVWGIUAV-UHFFFAOYSA-N 369.114 3.419 5 50 FGBA CCNc1cc(N2CCN(C(=O)c3cccs3)CC2)ccc1[N+](=O)[O-] 4703659 JHMRNFMPRPPTNZ-UHFFFAOYSA-N 360.439 3.051 5 50 FGBA Cc1ccc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 1161019 UDAFJXIOOIJOQO-UHFFFAOYSA-N 367.405 3.394 5 50 FGBA CCN1CCN(c2cc(N3CCC(C)CC3)c(F)cc2[N+](=O)[O-])CC1 4168663 SBVSHUJTHCDTQG-UHFFFAOYSA-N 350.438 3.112 5 50 FGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)cn1 1183548 RHVPKILTTWYQAS-QPJJXVBHSA-N 362.798 3.170 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)c2ncc(C(F)(F)F)cc2Cl)cc1 63120216 HXEFOWMKUSUQLP-UHFFFAOYSA-N 366.704 3.495 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 5041830 XUCOWCROJGBOMJ-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C 862354 NEWSNVHTDOSLBH-MRXNPFEDSA-N 359.382 3.051 5 50 FGBA C[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 4675963 YPMMCVMAWRHUSE-INIZCTEOSA-N 353.422 3.437 5 50 FGBA Cc1ccc([N+](=O)[O-])c(OCCN2CCN(Cc3ccccc3)CC2)c1 4832096 WZVBDFDTVKCTOE-UHFFFAOYSA-N 355.438 3.100 5 50 FGBA O=C1c2ccccc2C(=O)N1c1ncc(Cc2cccc([N+](=O)[O-])c2)s1 952654 SOMHPFRBWRVNAU-UHFFFAOYSA-N 365.370 3.443 5 50 FGBA CC(=O)Oc1cc(OC(C)=O)c(-c2ccc([N+](=O)[O-])cc2)cc1OC(C)=O 2173664 NGDGRFZKXSEXPK-UHFFFAOYSA-N 373.317 3.038 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1CC2 763012 NLGGDVOHSMEHTA-FXAWDEMLSA-N 365.389 3.473 5 50 FGBA Cc1cc(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)ccc1Br 1070067 WMWSWGCCGIPVBY-SECBINFHSA-N 353.176 3.062 5 50 FGBA Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)n1 5067749 DJKTVZLUSYYLOR-AWEZNQCLSA-N 356.382 3.141 5 50 FGBA Cc1ccccc1[C@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@H](C)CO1 164778448 ZPGPWOYHLQJKMG-FZKQIMNGSA-N 356.378 3.211 5 50 FGBA CC(C)(C)N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 19333796 KNHOMBDJLXLNHC-LLVKDONJSA-N 368.648 3.409 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccccc2)CC1 19607265 AFUCWUHGNVBJAO-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA O=[N+]([O-])c1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 865248 BFUYCBZDDJDIOZ-UHFFFAOYSA-N 350.422 3.394 5 50 FGBA CCCCO[P@](=O)(O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 3122145 XGNJXJMCWVIGCK-UHFFFAOYSA-N 372.192 3.149 5 50 FGBA CC(=O)c1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 1183387 IBMCRAFPJGQTMQ-UHFFFAOYSA-N 357.391 3.233 5 50 FGBA CC[C@@H](C)NC(=O)C(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-] 225501053 FWPSVBXYXDVAIT-SECBINFHSA-N 358.236 3.463 5 50 FGBA CC1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Cl)cc2)C1 1215343 GTMGRRRZDPZXAX-KRWDZBQOSA-N 359.769 3.315 5 50 FGBA CCCCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 4310968 KFXVIQWSJQXCSN-HNNXBMFYSA-N 373.331 3.167 5 50 FGBA COc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC 1149314 MAOFJPRJDOTDDE-UHFFFAOYSA-N 366.399 3.013 5 50 FGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 1174486 NGKGOYMLBBKFKE-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA CC(=O)c1ccc(COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1124391 FZEAPWHTTOAUIR-UHFFFAOYSA-N 370.361 3.260 5 50 FGBA Cc1ccc(-c2cn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)n2C)cc1C 334157553 LBLRRBSUFWNDOT-UHFFFAOYSA-N 364.405 3.381 5 50 FGBA CCOc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 1181545 LXSUPFFHKATRIJ-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA Cc1nc(C(=O)Nc2ccc(Cl)cc2)nn1-c1ccc([N+](=O)[O-])cc1 1397420 YYWBXSRZYSQGCT-UHFFFAOYSA-N 357.757 3.390 5 50 FGBA C[C@@H]1CN(C(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)C[C@@H](C)O1 408405362 ITCACNFESRJFMK-GHMZBOCLSA-N 372.371 3.209 5 50 FGBA CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccco1 1073121 NOMPVPUDEHYPFJ-UHFFFAOYSA-N 358.379 3.441 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1F)N1CCC[C@@H]1c1ccc2c(c1)OCO2 253418403 PTEBVTGSRSFKHS-CYBMUJFWSA-N 358.325 3.440 5 50 FGBA C[C@H]1CN(c2ccccc2NC(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H](C)O1 253419367 KIDVMPGUTDMFGC-STQMWFEESA-N 371.393 3.166 5 50 FGBA COc1cc(OC)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1OC 1109788 MICIXKDDMOFLKJ-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4188598 WPAPPAQADDIGPD-UHFFFAOYSA-N 368.437 3.266 5 50 FGBA COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 4872709 USGZDHLTMZCZIB-UHFFFAOYSA-N 370.405 3.082 5 50 FGBA O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(Br)c1 301803916 DIQHVGGJBXQXGC-YUSALJHKSA-N 354.204 3.122 5 50 FGBA Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)c1 827206 HUIYSBXHWZWZIW-CQSZACIVSA-N 353.378 3.203 5 50 FGBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 4187769 NAGWGJCPKVTFDQ-UHFFFAOYSA-N 369.299 3.169 5 50 FGBA COc1ccc(N(C(F)F)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 4333102 QDMKLPFPAFIVOZ-UHFFFAOYSA-N 372.349 3.330 5 50 FGBA O=C(NCCc1csc(-c2ccccn2)n1)c1ccc([N+](=O)[O-])cc1 1384538 HIGWEJUQKYJRDD-UHFFFAOYSA-N 354.391 3.086 5 50 FGBA O=C(c1ccc(F)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 4543533 AQTNHYBVYHURAX-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N(C)C1=S 1112950 CAQUMCGIXCYSHQ-UVTDQMKNSA-N 357.391 3.275 5 50 FGBA O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cc1 1146883 URNGHHDJRVFFQO-UHFFFAOYSA-N 365.345 3.370 5 50 FGBA C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1C2CC3CC(C2)CC1C3 4976934 YDGIMWNEOQUNER-NSVFZLEXSA-N 364.467 3.334 5 50 FGBA Cc1cccc(N2C(=O)C[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2COC3=O)c1 1427655 DMIUDARCLMYXKX-MRXNPFEDSA-N 364.357 3.235 5 50 FGBA CCOc1ccc(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4575552 JWXIBUNOWGNLPB-UHFFFAOYSA-N 356.378 3.061 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@]12CCCc1ccccc12 151392811 VYKOXEDXBGQMBU-FOIQADDNSA-N 351.406 3.322 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 225848131 MHPNYDPZLRSUIH-KRWDZBQOSA-N 367.361 3.137 5 50 FGBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 3894032 XYXBHNPXTOPNKQ-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C)cc1[N+](=O)[O-] 2873556 CZJMBHPHVKGSHX-UHFFFAOYSA-N 373.394 3.023 5 50 FGBA CN1C(=O)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H]1c1ccccc1 170618806 FUWIONZLSUVESQ-INIZCTEOSA-N 374.784 3.253 5 50 FGBA CCc1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 827291 NZSFJUXLDRTZAI-CQSZACIVSA-N 353.378 3.149 5 50 FGBA Cc1cc(CNC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)c2ccccc2n1 1423787 FVHXSPWTTCSQKC-CQSZACIVSA-N 367.409 3.142 5 50 FGBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCc1ccc(Cl)cc1Cl 1173984 KOYFABRJYJFKOW-UHFFFAOYSA-N 361.206 3.380 5 50 FGBA CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 845679 BLSDDDFBAHIOTI-QGZVFWFLSA-N 366.377 3.170 5 50 FGBA COc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c2c1 1314302 BBCORTHLTLAREC-UHFFFAOYSA-N 358.379 3.211 5 50 FGBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NCC12CC3CC(CC(C3)C1)C2 4686710 PPDXRJNIWROQNX-UHFFFAOYSA-N 366.849 3.086 5 50 FGBA CCc1ccccc1OCC(=O)Oc1ccc(/C=C/[N+](=O)[O-])cc1OC 955064 QQKDJTIDJZHVJW-ZHACJKMWSA-N 357.362 3.489 5 50 FGBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 4117350 IDPVOFRTBORUDZ-OAHLLOKOSA-N 368.437 3.436 5 50 FGBA CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1O 136876363 BZQQVSWIDYXCIM-INIZCTEOSA-N 356.378 3.293 5 50 FGBA O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)O1 4844930 VQOPLKJZUGGREH-NSHDSACASA-N 352.774 3.453 5 50 FGBA COc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1 4700854 CPJZKNLLAAHZIG-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC(=O)N(C2CCCCC2)C1 4814411 UNOGHZOHXXIXOB-NSHDSACASA-N 365.817 3.368 5 50 FGBA CCOC(=O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1 4653230 ZIBPZWSMRWNFAC-KRWDZBQOSA-N 372.377 3.028 5 50 FGBA O=C(/C=C/c1ccco1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 4754384 LKLFYKCYAZVJSH-GQCTYLIASA-N 351.771 3.368 5 50 FGBA COc1cc2c(cc1OC)C(c1cc([N+](=O)[O-])ccc1N(C)C)=NCC2 1857526967 ZRIRPPCYSVLFMG-UHFFFAOYSA-N 355.394 3.072 5 50 FGBA COc1cc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc(OC)c1OC 2955110 LWMMPSKRDNWFPW-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA CN(C)c1oc(-c2cccc([N+](=O)[O-])c2)nc1S(=O)(=O)c1ccccc1 2842306 PVDNEIOCEQPHIJ-UHFFFAOYSA-N 373.390 3.149 5 50 FGBA Cc1nc([C@@](C)(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C2CC2)no1 410965387 BYFJAGZPLYINBK-INIZCTEOSA-N 364.789 3.303 5 50 FGBA CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]21 100237459 YFAFYCQLEMIPJQ-OSLDLMBLSA-N 352.390 3.469 5 50 FGBA CCN(CC)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 25665390 QGTASLKEGGOMNW-LBPRGKRZSA-N 368.648 3.363 5 50 FGBA Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1Br 1154694 QNHPDGRBMPYEJM-UHFFFAOYSA-N 360.167 3.365 5 50 FGBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[nH]n1 162935041 MFGFEOJYEDAOTF-SNVBAGLBSA-N 352.416 3.331 5 50 FGBA C[C@@H]1Cc2ccccc2N1C(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1055344 OZTLZGVSLJYNOU-LLVKDONJSA-N 350.330 3.293 5 50 FGBA CCc1ccccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4865867 NDVYEMVCAXDPJT-UHFFFAOYSA-N 355.394 3.246 5 50 FGBA COc1cc2s/c(=N\C(=O)c3ccc([N+](=O)[O-])o3)[nH]c2cc1Cl 17056586 NXNIQZYHAFUBQE-UHFFFAOYSA-N 353.743 3.134 5 50 FGBA COC(=O)c1cc(C(=O)N[C@H](C)CCc2ccccc2)cc([N+](=O)[O-])c1 1138008 AWSGZCGUYDNFRE-CYBMUJFWSA-N 356.378 3.133 5 50 FGBA CC(C)C(=O)N[C@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 836566 DOJXRUFKUUVFKA-LLVKDONJSA-N 355.605 3.442 5 50 FGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1165727 PNZDAYSAZUHGOW-LLVKDONJSA-N 359.769 3.240 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(C)c(C)c1 4310107 CKQPKKFMAXTAHU-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA O=C(Nc1ccc2c(c1)C(=O)NC2)c1cc2cc([N+](=O)[O-])ccc2s1 478354433 TVMIBCMPOVDNJS-UHFFFAOYSA-N 353.359 3.305 5 50 FGBA CCN(CC)c1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N(CC)CC)n1 3879153 BTLPXFFYNJUWKE-UHFFFAOYSA-N 359.434 3.216 5 50 FGBA CCOc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4884945 VYBRQRCDOWUMLJ-UHFFFAOYSA-N 356.787 3.448 5 50 FGBA O=[N+]([O-])c1ccc2nc(CSc3nnnn3C3CCCCC3)[nH]c2c1 9434711 QTDPOXLJJNGTRM-UHFFFAOYSA-N 359.415 3.255 5 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356.451 3.422 5 50 FGBA CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1)OCCO2 1049642 DLDARXVAKUMOAK-UHFFFAOYSA-N 370.361 3.457 5 50 FGBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCCc2ccccc21 887204 XGQIHOBHSNHBGG-UHFFFAOYSA-N 350.330 3.294 5 50 FGBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C)c2)cc1[N+](=O)[O-] 1173541 LZYWKWHLJTYQSE-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA CC(C)CN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1192911 CBKPPZGNXPBJOE-UHFFFAOYSA-N 352.346 3.078 5 50 FGBA CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4188634 HSKJAMQKYDBNSW-UHFFFAOYSA-N 372.425 3.249 5 50 FGBA COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] 4622095 JGTXBZOCIMPOKU-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA O=[N+]([O-])c1cccc([C@@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)c1 1189448 SJDNLZSCVSEYLG-FQEVSTJZSA-N 352.414 3.245 5 50 FGBA O=[N+]([O-])c1ccc(C2=Nn3c(Cc4cccs4)nnc3SC2)cc1 45067801 GAEMWXMNVOUPAF-UHFFFAOYSA-N 357.420 3.197 5 50 FGBA Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1214631 YVOQQMKKABZDHX-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc(OC)c1OC 1166697 PCVPHWHURDEMOQ-UHFFFAOYSA-N 357.322 3.338 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 194378759 ASMFUTUPGFNUJW-MRXNPFEDSA-N 361.785 3.165 5 50 FGBA C[C@@H]1C(=O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 19733276 ZXHZASIBIRBOFG-ONUMYQOESA-N 355.350 3.484 5 50 FGBA CC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 8429561 ZSYDECHUXUODIV-UHFFFAOYSA-N 352.334 3.125 5 50 FGBA COc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] 1155263 LVNQTKZLSSPXEA-UHFFFAOYSA-N 352.144 3.013 5 50 FGBA COc1ccccc1N1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 1141153 YEFOAILQQGAJPA-OAHLLOKOSA-N 369.421 3.056 5 50 FGBA O=[N+]([O-])c1cnn(CSc2nc(O)c3c4c(sc3n2)CCCC4)c1 17074753 RHLBOLIHNBKPMK-UHFFFAOYSA-N 363.424 3.130 5 50 FGBA COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c([N+](=O)[O-])c1 1115767 CFHVLNVQXFGSPJ-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA O=C(COc1ccccc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4676512 RIGUMIINCLARCQ-UHFFFAOYSA-N 365.798 3.140 5 50 FGBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 831383 WMHLGYDTZOKMCE-ZDUSSCGKSA-N 374.780 3.345 5 50 FGBA Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1Br 4980332 GEAFKSCZJNNWCY-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(OC)c(OC)c1 5041285 ICTMPNPIFPHSMV-UHFFFAOYSA-N 363.395 3.430 5 50 FGBA CCCCNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 2812582 NDRUNYLUTBXLMB-JXAWBTAJSA-N 367.405 3.282 5 50 FGBA Cc1nc([C@](C)(NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C2CC2)no1 410965392 BYFJAGZPLYINBK-MRXNPFEDSA-N 364.789 3.303 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2Cl)CC1 19782433 JYPMCUVHVDZOBI-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 104203301 XSYDQTDAWYBXAT-UHFFFAOYSA-N 357.234 3.185 5 50 FGBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccc(-c2ccco2)n1 13644310 NSKIXOSNAFXHIP-NSHDSACASA-N 354.322 3.051 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1 2817964 FOTOPSAFOYISDD-UHFFFAOYSA-N 369.402 3.381 5 50 FGBA Cc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4685220 VYMAIRQWRQGRJW-UHFFFAOYSA-N 356.451 3.422 5 50 FGBA O=C(O)C[C@@H](NC(=O)c1cccs1)c1cc([N+](=O)[O-])ccc1Cl 4686333 KYCAXEBTCBHBDR-LLVKDONJSA-N 354.771 3.256 5 50 FGBA Cc1cccc(CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 225550144 TWRKZHBXINXQEH-UHFFFAOYSA-N 358.778 3.174 5 50 FGBA O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CC3CC(CC(C3)C1)C2 3878789 DTMVFFOPEOKGLR-UHFFFAOYSA-N 369.465 3.460 5 50 FGBA CC(=O)c1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)CCC2 253428033 GNKBZQNSJRZDFZ-UHFFFAOYSA-N 360.391 3.087 5 50 FGBA CC[C@@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccc([N+](=O)[O-])cc23)[C@@]1(C)O 1444450 FAKNQYIOJJYMJA-MSOLQXFVSA-N 361.398 3.256 5 50 FGBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2[N+](=O)[O-])cc1 4593216 SINFOIRGFRCLIG-MRXNPFEDSA-N 372.377 3.329 5 50 FGBA O=c1c2cc(Br)ccc2ncn1Cc1ccc([N+](=O)[O-])cc1 3124337 RGFKRDYKPLRTDH-UHFFFAOYSA-N 360.167 3.116 5 50 FGBA CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4580848 YZFQEVJRECTQQB-KRWDZBQOSA-N 372.377 3.328 5 50 FGBA CCCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 1771306 OHNMWHQCKXBPCI-UHFFFAOYSA-N 358.350 3.179 5 50 FGBA Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)c1 827228 PUYGTOAOAXLIIW-CQSZACIVSA-N 353.378 3.203 5 50 FGBA CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4855729 MEJWBOJUGDJWEI-UHFFFAOYSA-N 371.393 3.082 5 50 FGBA Cc1cccc(NC(=O)CCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 2942669 JZNDJZGMMQHTHT-UHFFFAOYSA-N 370.361 3.048 5 50 FGBA CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)N(C)C1=S 1114564 YUVBJLQGIRSLEI-UVTDQMKNSA-N 357.391 3.275 5 50 FGBA O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 1108261 HUMMVNJAWBBCAO-UHFFFAOYSA-N 362.345 3.494 5 50 FGBA CCN(c1ccc(O)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 170610523 PSHOTXXWSDFGET-UHFFFAOYSA-N 356.787 3.169 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc1[N+](=O)[O-] 2978412 XABIOERHWYHMDI-UHFFFAOYSA-N 359.407 3.347 5 50 FGBA O=[N+]([O-])c1ccc(-c2noc(N3CCO[C@@H](c4cccc(F)c4)C3)n2)cc1 486961237 BIMRADXFYNEXKZ-MRXNPFEDSA-N 370.340 3.362 5 50 FGBA COc1ccc(C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCOCC2)cc1 1109875 QCCHSXBUIFUSBZ-UHFFFAOYSA-N 370.405 3.082 5 50 FGBA Cc1cc(CNC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)c2ccccc2n1 1423788 FVHXSPWTTCSQKC-AWEZNQCLSA-N 367.409 3.142 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2ccccc2Cl)C1 171554758 GAYPSHVXYKVTCG-INIZCTEOSA-N 361.785 3.165 5 50 FGBA Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(N)cc1F 253404588 AQTZOEZDILFXMQ-LBPRGKRZSA-N 361.373 3.130 5 50 FGBA COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4310080 ZGOIVAYPWCHXCN-UHFFFAOYSA-N 356.787 3.366 5 50 FGBA CCc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2=O)cc1 4851345 VNXQHAQBHXKXLD-CQSZACIVSA-N 353.378 3.149 5 50 FGBA CC(=O)c1cc([N+](=O)[O-])c(N(C)Cc2nc(O)c3sccc3n2)s1 1875261095 OQTMBGIUAPPWLX-UHFFFAOYSA-N 364.408 3.206 5 50 FGBA CN(C(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CCCO1)c1ccccc1 5063460 AMGZIZGIJYJNCN-MRXNPFEDSA-N 355.394 3.462 5 50 FGBA CC(C)c1nnc2n1C[C@H](Nc1ccc3ccncc3c1[N+](=O)[O-])CC2 1875265597 WIIBJYZOXFBCEL-CYBMUJFWSA-N 352.398 3.285 5 50 FGBA O=Cc1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 1163849 NRHQVFRLPBOLPY-UHFFFAOYSA-N 350.124 3.389 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccccc3F)CC2)cc1 4685223 JANAELBUFHUULU-UHFFFAOYSA-N 360.414 3.253 5 50 FGBA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 2832361 YXMUOGWHGVVYDE-UHFFFAOYSA-N 373.390 3.037 5 50 FGBA C[C@H]1CCc2c(sc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 993977 LZLXRQKUCGYDET-VIFPVBQESA-N 359.407 3.132 5 50 FGBA O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1134335 JSCURARTEOBGFU-UHFFFAOYSA-N 371.368 3.225 5 50 FGBA Cn1c(C(=O)NCC[C@@H](O)c2cccs2)cc2cc([N+](=O)[O-])ccc21 2325874675 WSZMCAHGLUIFRX-OAHLLOKOSA-N 359.407 3.002 5 50 FGBA O=C(Nc1nc(-c2cccc(O)c2)cs1)c1ccc([N+](=O)[O-])c(O)c1 173882772 OOUBPBRSQFBQAQ-UHFFFAOYSA-N 357.347 3.382 5 50 FGBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 4820230 PBZZCKYPVRIVOF-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC(C)(C)N[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19300985 ZOTUCVGZJLMMQI-NSHDSACASA-N 368.648 3.409 5 50 FGBA COc1ccc2c(CCNC(=O)c3cccc([N+](=O)[O-])c3C)c[nH]c2c1 2360093 FAYYPRRBSJSJKA-UHFFFAOYSA-N 353.378 3.366 5 50 FGBA Cc1cc(NCCOc2cccnc2)nc(-c2cccc([N+](=O)[O-])c2)n1 301289381 POLRJZJQHYVABA-UHFFFAOYSA-N 351.366 3.246 5 50 FGBA Cc1cccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 863320 OBPMLWLFNCVJFM-MRXNPFEDSA-N 364.448 3.340 5 50 FGBA COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)cc1Cl 1508460 HCVRCOZSVDQRSN-UHFFFAOYSA-N 362.725 3.066 5 50 FGBA Nc1c(Br)cc(Br)c([N+](=O)[O-])c1Br 3096053 WXKZWLNXOMHHIV-UHFFFAOYSA-N 374.814 3.465 5 50 FGBA Nc1nc(-c2cc3ccccc3oc2=O)nc2c1c(=O)oc1ccccc12 636505 ZRSRUKQEHMSIGV-UHFFFAOYSA-N 357.325 3.092 5 50 FGBA CC[N@+]12CCC[C@]34C[C@H](C(=O)OC)[C@@]5(Nc6ccccc6[C@]5(CC1)[C@@H]32)[C@H]4C 245253736 LZUBEVCHNPBHRZ-SIFOMWHUSA-N 367.513 3.321 5 50 FGBA O=Cc1ccc(OC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 1146660 RCTNBSKLNRIMOR-UHFFFAOYSA-N 350.124 3.389 5 50 FGBA CC(C)COC(=O)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1 2848151 JZDDKZPUVKUBDE-UHFFFAOYSA-N 352.372 3.230 5 50 FGBA CC(C)(C)O[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N)c2F)[C@H]1n1cccn1 450879533 ZXMZZWRUQBFGON-NORZTCDRSA-N 363.393 3.122 5 50 FGBA Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 3876557 ZJSQCTAOOYZYLC-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](Sc2ccc(C)cc2)C1=O 18283617 VPRGPWXLAOCGIX-MRXNPFEDSA-N 372.402 3.336 5 50 FGBA C[C@@H](OC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 4310074 DLWXXKOWEZZOQY-CYBMUJFWSA-N 370.361 3.128 5 50 FGBA COC(=O)c1ccc(N2CCN(Cc3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 52534154 VJYJMDFQQRELEE-UHFFFAOYSA-N 369.421 3.012 5 50 FGBA Cc1ccc(C)c(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)c1 1052532 ARRPGSDBZVCOCJ-UHFFFAOYSA-N 353.422 3.482 5 50 FGBA O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OC[C@H]1CCCO1 957049 WHHUAIGCTQEYPB-SNVBAGLBSA-N 365.329 3.428 5 50 FGBA COc1ccc(CCNC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1OC 4758575 PGGMEIPQAQVAPJ-UHFFFAOYSA-N 361.423 3.141 5 50 FGBA CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(N)=O)cc1 4802427 IHUXDQVGAMPPPX-ATVHPVEESA-N 367.405 3.149 5 50 FGBA Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 4803657 YBJWXMFGRMDNKX-UHFFFAOYSA-N 359.407 3.214 5 50 FGBA O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4192945 IGCFGOXRCGGVNP-CYBMUJFWSA-N 360.757 3.010 5 50 FGBA Cc1ccc(NC(=O)OCCOc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 4799795 YVWFEEBXQZNKTJ-UHFFFAOYSA-N 361.310 3.439 5 50 FGBA COc1ccc(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC 17074082 ZWOJHGMXLMMRPX-UHFFFAOYSA-N 359.382 3.285 5 50 FGBA O=[N+]([O-])c1cc(Cl)c(O)c(NS(=O)(=O)/C=C/c2ccccc2)c1 5047688 KBZRWERDGYCIEE-VOTSOKGWSA-N 354.771 3.366 5 50 FGBA COC(=O)c1cc(C(=O)Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1 969796 IZNJLXKNFOSCPI-UHFFFAOYSA-N 357.347 3.243 5 50 FGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccccc2F)CC1 1150613 GYBRYMUQWJIMJH-CMDGGOBGSA-N 355.369 3.096 5 50 FGBA CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccccc1 1178424 FRDPWFKCNLNZJA-UHFFFAOYSA-N 357.410 3.454 5 50 FGBA CCOc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4702176 SXULOIABZWPHAM-UHFFFAOYSA-N 356.378 3.061 5 50 FGBA COC(=O)c1cc(C(=O)N2CCc3ccc(Cl)cc3C2)cc([N+](=O)[O-])c1 128725719 WLYVLCGMXQMPDF-UHFFFAOYSA-N 374.780 3.233 5 50 FGBA CCOc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 1175962 MBPZORHTBNGRQX-UHFFFAOYSA-N 355.438 3.311 5 50 FGBA CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)COc1ccccc1 4582928 IPOOFVALZLHGCA-UHFFFAOYSA-N 360.366 3.410 5 50 FGBA NS(=O)(=O)c1ccc(N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 247754901 VOMGTGFQRLPDPH-RWMBFGLXSA-N 353.444 3.013 5 50 FGBA O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1cccc(F)c1 1429610 JKSZPZJMHIFMMD-OAHLLOKOSA-N 368.320 3.065 5 50 FGBA O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 141624738 QHGBGOKOMMTTJA-UOVPBQLFSA-N 350.374 3.387 5 50 FGBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 3902369 DWOJWSIEYYVOKT-MRXNPFEDSA-N 366.373 3.216 5 50 FGBA CCN(CC)c1ccc(C=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 1132600 PMEVTJCDFJJVSH-UHFFFAOYSA-N 371.393 3.271 5 50 FGBA C[C@@H](CNc1c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)[n+]1[O-])c1ccccc1 4828707 BJRHGDQVAMMPMF-LBPRGKRZSA-N 373.800 3.283 5 50 FGBA O=c1[nH]c(O)nc(/C=C\c2ccc(-c3ccc(Cl)cc3)o2)c1[N+](=O)[O-] 32687757 XAMSWZVALAACFI-ALCCZGGFSA-N 359.725 3.468 5 50 FGBA Cc1cc([C@@H](O)CN(C)Cc2ccc(Cl)cc2[N+](=O)[O-])ccc1O 2325875296 MOIYDCFQQVVGQA-KRWDZBQOSA-N 350.802 3.428 5 50 FGBA O=C(NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 4840596 DLTDQSDCFNSNQK-KRWDZBQOSA-N 369.421 3.158 5 50 FGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(Cl)c1 4688080 XRSMHIHGCNGRAI-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA CC(C)CCn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O 38828933 NZHFRZOUQMHBRO-UHFFFAOYSA-N 360.417 3.142 5 50 FGBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1 24061052 CGGFQFNDYKSSJB-UHFFFAOYSA-N 358.398 3.200 5 50 FGBA in-vitro Cc1cc([N+](=O)[O-])c2nsnc2c1N1CCO[C@H](c2ccccc2)C1 2325862156 LCCFLZOXZIVXRK-AWEZNQCLSA-N 356.407 3.486 5 50 FGBA CCCCOC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 2027903 RRRDBJABKVBJGD-UHFFFAOYSA-N 368.345 3.352 5 50 FGBA O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 3904837 VXQCLQGBJAQKLJ-UHFFFAOYSA-N 359.813 3.140 5 50 FGBA O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)c1ccc([N+](=O)[O-])cc1 2795453 SZBAJPMEQLVQGY-UHFFFAOYSA-N 357.757 3.140 5 50 FGBA Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 162818074 UJTKYVLFKPWGNE-YLJYHZDGSA-N 368.437 3.418 5 50 FGBA Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 2226107 NMSATPDBGZLMFQ-UHFFFAOYSA-N 373.390 3.037 5 50 FGBA C/C=C1/C[N@@+]2([O-])[C@H]3C[C@@H]1[C@@H]1[C@@H]2C[C@@]2(C3=Nc3ccccc32)[C@@H]1OC(C)=O 261493090 SYZGOUOZLCZRJD-BKDFITOVSA-N 350.418 3.007 5 50 FGBA biogenic C[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 687045 OBHKTNMETRQPKN-VIFPVBQESA-N 359.407 3.132 5 50 FGBA in-vitro O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN([C@@H]3CCOC3)CC2)s1 328592200 MFKWGWHTVKSDQT-OAHLLOKOSA-N 373.478 3.230 5 50 FGBA O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1 3879996 GYHFMHWWJHIHEW-UHFFFAOYSA-N 366.215 3.273 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)o1 5813855 TYNPGYZTVZMYCF-UHFFFAOYSA-N 360.351 3.277 5 50 FGBA O=[N+]([O-])c1ccc(N2CCOCC2)cc1Sc1nc2ccccc2[nH]1 3876241 VZGNTLFNYKLPNJ-UHFFFAOYSA-N 356.407 3.459 5 50 FGBA CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 3998607 MKBJJRPMQMGWHI-LJQANCHMSA-N 353.422 3.437 5 50 FGBA CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1182807 CRAWMGMTPRUGPJ-IZZDOVSWSA-N 370.434 3.187 5 50 FGBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccccc2)CC1 19720318 ZXNXJEVJKMJMBN-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1 1187987 YPDBTGJSVASBPM-UHFFFAOYSA-N 357.185 3.158 5 50 FGBA COc1cc(CN2CCN(c3ccccc3C)CC2)c([N+](=O)[O-])cc1OC 55543579 JGOYXNAKHHLUFC-UHFFFAOYSA-N 371.437 3.243 5 50 FGBA COc1cc(CO)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1143768 VFKSSUXZYDBCRB-UHFFFAOYSA-N 368.183 3.437 5 50 FGBA O=[N+]([O-])c1ccc(Cc2cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc2)cc1 4788894 QOZSQKZQXLNUKI-UHFFFAOYSA-N 350.354 3.430 5 50 FGBA CC(C)CNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 33712260 BAALNQYLLASKMO-LDADJPATSA-N 367.405 3.138 5 50 FGBA CCOC(CNC(=O)Nc1cccc([N+](=O)[O-])c1)(OCC)c1ccccn1 170613479 ZPUBUGPRPYQSLX-UHFFFAOYSA-N 374.397 3.037 5 50 FGBA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 754874 IEHGKZVJRYDEMQ-AZUAARDMSA-N 365.389 3.473 5 50 FGBA O=C(NC(=S)Nc1cccc2ncccc12)c1ccccc1[N+](=O)[O-] 1065391 FSQUTKTZWRIZRF-UHFFFAOYSA-N 352.375 3.270 5 50 FGBA Cc1ccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)c([N+](=O)[O-])c1 4115914 RGVXHNDMJGPULC-INIZCTEOSA-N 368.393 3.281 5 50 FGBA O=C(O)c1cccc(S(=O)(=O)Nc2cccc3c([N+](=O)[O-])cccc23)c1 4980365 QWOCMXIWQDAIPS-UHFFFAOYSA-N 372.358 3.247 5 50 FGBA CC(=O)Oc1cn(C[C@H]2CCCO2)c2nc(C)n3c4ccccc4nc3c12 5453686 ZKBJQOJOGPTJKF-CQSZACIVSA-N 364.405 3.250 5 50 FGBA Cc1cc(Br)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1C 1135586 KEUJNUWNTNTGCH-UHFFFAOYSA-N 367.203 3.118 5 50 FGBA Cc1ccc(NC(=O)c2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1Cl 4706806 GBRPNGWQYJCSGI-UHFFFAOYSA-N 374.828 3.219 5 50 FGBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 228034769 JVQFWVMLOUKVIH-XQAQDONZSA-N 368.455 3.097 5 50 FGBA CC[C@@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1c(C)nn(C)c1C 124905816 UWSKEALOENSCBC-MRXNPFEDSA-N 371.441 3.164 5 50 FGBA CC(C)C(=O)Nc1nnc(SCC(=O)c2ccc([N+](=O)[O-])cc2)s1 2846750 HCJRHDNPISFNCW-UHFFFAOYSA-N 366.424 3.016 5 50 FGBA O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1 5447840 TZWSWHWNIREARM-NTEUORMPSA-N 372.178 3.275 5 50 FGBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(F)c(F)c1 9302041 TYEOTOPVINAWTL-UHFFFAOYSA-N 364.333 3.480 5 50 FGBA Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(N)cc1F 253404581 AQTZOEZDILFXMQ-GFCCVEGCSA-N 361.373 3.130 5 50 FGBA COc1ccc2c(c1)CC[C@H]1C2=NN(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 1230266 GVTQDJCNBONOMS-AZUAARDMSA-N 365.389 3.473 5 50 FGBA O=[N+]([O-])c1c(N2CCO[C@@H](c3cccc(O)c3)C2)ccc2ncccc12 127319592 ZDFRUVCMZFZDRR-GOSISDBHSA-N 351.362 3.427 5 50 FGBA CCOc1cc([N+](=O)[O-])c(C(=O)O[C@H](C)c2cnoc2C)cc1OC 253426391 ZRRQMMKBIOXNNW-SECBINFHSA-N 350.327 3.217 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2F)CC1 1151310 ZRBMUJLEKAJACI-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA CCc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4746975 LIRNAZLJTXTQRJ-UHFFFAOYSA-N 359.407 3.293 5 50 FGBA CN(C)[C@H](CNc1cc2ncnc(O)c2cc1[N+](=O)[O-])c1ccc(F)cc1 301113663 WLSXYEFNOQXINJ-QGZVFWFLSA-N 371.372 3.098 5 50 FGBA CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 663386 GGDGZWYSRCCZCN-UHFFFAOYSA-N 350.396 3.418 5 50 FGBA CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n[nH]1 470572259 AJWILNYIHGCUAC-JTQLQIEISA-N 352.416 3.331 5 50 FGBA Cc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1C 1059786 YBIPLQNGDAQRAJ-UHFFFAOYSA-N 367.203 3.118 5 50 FGBA COC(=O)c1cc(C(=O)Nc2cc(Cl)ccc2OC)cc([N+](=O)[O-])c1 1097967 LERAXSFKHRZEGP-UHFFFAOYSA-N 364.741 3.296 5 50 FGBA CC[C@@H](NC(=O)c1nn(C)c(C)c1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 13959224 ZVFUBEPUVGPTKB-BCFZYGEVSA-N 360.458 3.362 5 50 FGBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 3894033 JEUYMVILJBQFCF-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 1217477 IBOJHUNSFNVEBL-UHFFFAOYSA-N 360.391 3.492 5 50 FGBA Cc1nn([C@H](C)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c(C)c1[N+](=O)[O-] 695864 IDZHOVTWFOUACH-GFCCVEGCSA-N 370.365 3.023 5 50 FGBA O=[N+]([O-])c1ccc2c(c1)c(I)nn2[C@H]1CCCCO1 526055978 XORWFTHPKICSDK-LLVKDONJSA-N 373.150 3.248 5 50 FGBA O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 996941 KWOMXINUTNRANY-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA COc1ccc2c(c1)C1=NN(C(C)=O)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]1CC2 3995423 NLGGDVOHSMEHTA-XLIONFOSSA-N 365.389 3.473 5 50 FGBA Nc1cc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)cc1N 25762071 QRQZMEZFMWOVFR-UHFFFAOYSA-N 362.341 3.133 5 50 FGBA Cc1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c([N+](=O)[O-])c1 4006257 QGGBQVDULWEUCX-HNNXBMFYSA-N 357.391 3.345 5 50 FGBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]21 100237455 YFAFYCQLEMIPJQ-HLNSBACISA-N 352.390 3.469 5 50 FGBA O=[N+]([O-])c1cccc([C@]2(O)C[N+]3=C(CCCCC3)N2c2ccccc2)c1 1189446 SJDNLZSCVSEYLG-HXUWFJFHSA-N 352.414 3.245 5 50 FGBA O=C(C[S@@](=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 4819159 KTGATXNVJKCVII-VWLOTQADSA-N 372.324 3.360 5 50 FGBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1cccc2ccccc12 71767338 CVAHCSZNNNLQQQ-ZPHPHTNESA-N 356.407 3.290 5 50 FGBA Cc1nonc1OCCCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-] 4151236 FULAWRSPERAMKB-UHFFFAOYSA-N 361.402 3.158 5 50 FGBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)cc(C)cc1C 805412 HCGUIMZYAXVBGU-UHFFFAOYSA-N 350.396 3.329 5 50 FGBA O=[N+]([O-])c1cccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)c1 4086301 MMQOVHZNGXMSML-UHFFFAOYSA-N 351.391 3.135 5 50 FGBA CC(=O)Oc1ccc2nc(-c3cc([N+](=O)[O-])ccc3Cl)oc(=O)c2c1 692297 QZNQSRFJIWVOGM-UHFFFAOYSA-N 360.709 3.342 5 50 FGBA CC[N+](CC)(CC)CCCCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 2900788 NNUQSMWXFXKSJC-UHFFFAOYSA-N 362.450 3.238 5 50 FGBA Cc1cc(O)c(C2=NCCS[C@H](c3ccccc3[N+](=O)[O-])C2)c(=O)o1 754499 CFKZJJIXFWTWON-HNNXBMFYSA-N 360.391 3.229 5 50 FGBA O=[N+]([O-])c1nn(-c2cccc(C(F)(F)F)c2)[n+]([O-])c1Nc1ccccc1 4757628 MBYLTMGZUDSDBH-UHFFFAOYSA-N 365.271 3.176 5 50 FGBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1[N+](=O)[O-] 1174712 QGXKUWUYVUBHGP-UHFFFAOYSA-N 359.407 3.429 5 50 FGBA C[C@@H]1CCCN(c2ccc(C(=O)NO[C@H]3CCCCO3)cc2[N+](=O)[O-])C1 240555670 GXDARJKYACVGNA-DYVFJYSZSA-N 363.414 3.019 5 50 FGBA O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1[N+](=O)[O-] 4891331 KWJLJHIYPANJAB-UHFFFAOYSA-N 356.363 3.376 5 50 FGBA C[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccsc1 174417868 NMRQOXZJTHPFRF-CQSZACIVSA-N 374.340 3.313 5 50 FGBA O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2)nc(O)c1Cc1ccccc1 16448451 LMWCPULJNNDLLJ-UHFFFAOYSA-N 369.402 3.267 5 50 FGBA Cc1nn(CC(=O)Nc2ccc(OC(F)(F)Cl)cc2)c(C)c1[N+](=O)[O-] 4745595 SXIRPJPAWPBQPB-UHFFFAOYSA-N 374.731 3.215 5 50 FGBA Cc1cccc(C)c1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4865937 GVRWMDDWWUNWMY-UHFFFAOYSA-N 355.394 3.301 5 50 FGBA O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccco1)c1cccs1 1081009 USUONNIGYKGYDO-UHFFFAOYSA-N 371.374 3.432 5 50 FGBA Cc1cc(N2CCN(C(=O)c3cccs3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] 4622595 WEOZQAWNNVGGNB-LBPRGKRZSA-N 363.414 3.455 5 50 FGBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(F)cc2)CC1 831824 FULHBUORCGLFCP-UHFFFAOYSA-N 363.776 3.350 5 50 FGBA C[C@@H]1[C@H](OC(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)C[C@H]2C[C@H]1C2(C)C 240934406 JBWKWXXDDRGBNN-FMVNMVDZSA-N 374.393 3.117 5 50 FGBA Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 5257035 CXRVMLNAXRUBOP-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA O=c1cc(-c2ccccc2)sc2nnc(-c3ccccc3[N+](=O)[O-])n12 4751683 FAIOFHDDUKGZPG-UHFFFAOYSA-N 350.359 3.393 5 50 FGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1Sc2ccccc2NC1=O 949673 PPBHLRAUZCZOCE-HNNXBMFYSA-N 357.391 3.345 5 50 FGBA CCCOC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2779478 WMRLXZLINUWDTO-UHFFFAOYSA-N 374.305 3.289 5 50 FGBA Cc1ccccc1O[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4759172 OIRNFHCEENCQGD-MRXNPFEDSA-N 369.421 3.019 5 50 FGBA O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1125886 LAXRPCJXBMBOJW-UHFFFAOYSA-N 353.378 3.086 5 50 FGBA O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccccn2)nc1Nc1ccccn1 16663330 YAENEARBFRCEEJ-UHFFFAOYSA-N 353.298 3.175 5 50 FGBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 4565013 JSVUKUKHVYXTDW-SWLSCSKDSA-N 371.315 3.238 5 50 FGBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2F)cc1[N+](=O)[O-] 1172438 KRPPSLLPAJLQDY-UHFFFAOYSA-N 363.370 3.259 5 50 FGBA O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 4550706 FOOCKVBZHOBPFG-UHFFFAOYSA-N 364.199 3.199 5 50 FGBA Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 4686211 RFESIJNIXWFRIM-UHFFFAOYSA-N 371.212 3.467 5 50 FGBA COc1ccc(OC)c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 4983303 ZONAMHQNQFIMRL-UHFFFAOYSA-N 371.393 3.465 5 50 FGBA CC(=O)c1ccc(N2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)cc1 5041999 RKPDUPHGXIQEEB-UHFFFAOYSA-N 368.393 3.152 5 50 FGBA Cc1cc(Br)ccc1NC(=O)CCCn1cc([N+](=O)[O-])cn1 4820731 BNXJCLCJDKXUEE-UHFFFAOYSA-N 367.203 3.281 5 50 FGBA CC[C@H](NC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)c1c(C)nn(C)c1C 124905621 UWSKEALOENSCBC-INIZCTEOSA-N 371.441 3.164 5 50 FGBA COc1cc(OC)cc(-c2nnc(Sc3ccc([N+](=O)[O-])cn3)o2)c1 818480 LCVYFNGGBAMUOA-UHFFFAOYSA-N 360.351 3.208 5 50 FGBA CC[C@]1(C)OC(=O)N(CCc2c(C)[nH]c3ccc([N+](=O)[O-])cc23)[C@]1(C)O 1444451 FAKNQYIOJJYMJA-ZWKOTPCHSA-N 361.398 3.256 5 50 FGBA COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1 1172332 GRFRBQKNOINAEP-UHFFFAOYSA-N 365.798 3.384 5 50 FGBA Cc1ccc(-c2nc(N(C)CCCO)c3ccsc3n2)cc1[N+](=O)[O-] 1875264667 KTYRFSZQDYSMGM-UHFFFAOYSA-N 358.423 3.394 5 50 FGBA O=C(Nc1ccc(OC[C@H]2C[N@@]2CC2CC2)cc1)c1cccc([N+](=O)[O-])c1 1875385334 QZJJORMZHLFPFM-XMSQKQJNSA-N 367.405 3.320 5 50 FGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Cl)c2)CC1 19782454 JWGQRPUDIOUWFD-UHFFFAOYSA-N 359.813 3.206 5 50 FGBA CCn1ccnc1[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1 225479025 XYMMJYVNWYCIJF-INIZCTEOSA-N 358.398 3.329 5 50 FGBA Cc1cc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)no1 1216083 VJOKIJHGGJNQAU-UHFFFAOYSA-N 365.301 3.484 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C 171306123 HDYWOHRLZIAAHQ-KRWDZBQOSA-N 355.394 3.291 5 50 FGBA CCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5049475 JXZYCKLMARGNCC-GHRIWEEISA-N 354.362 3.319 5 50 FGBA CSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 822504 NTXFPOMVERXHTG-CYBMUJFWSA-N 357.351 3.265 5 50 FGBA NC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 753039 XLAKEZVUBCPUIL-UHFFFAOYSA-N 354.149 3.253 5 50 FGBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 252512424 QKMRCTHHTPHFHE-JECHBYEQSA-N 371.393 3.022 5 50 FGBA O=C(NCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 4123420 VLDNSCISTKNRBM-UHFFFAOYSA-N 357.288 3.439 5 50 FGBA Cn1c(-c2ccc(Cl)cc2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157601 RBBXIIHITASXJS-UHFFFAOYSA-N 370.796 3.418 5 50 FGBA Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1 4757943 DJMUDSFKCBFGGG-UHFFFAOYSA-N 374.828 3.219 5 50 FGBA CCN(CC1CCC1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 225462637 ORMYBIJBQBSLNU-UHFFFAOYSA-N 367.471 3.006 5 50 FGBA O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 4998342 RDSINQFLWDSZOT-UHFFFAOYSA-N 361.785 3.337 5 50 FGBA CC(C)(C)c1cc2c3c(c1)c(=O)c(=O)c1cc(C(C)(C)C)cc(c1-3)c(=O)c2=O 39009589 TYHKMVKSHVDGOG-UHFFFAOYSA-N 374.436 3.447 5 50 FGBA O=C(O)C[C@H](NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl 3856174 PCSNPUVSQRIDSB-AWEZNQCLSA-N 354.790 3.461 5 50 FGBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C1CC1)nn2C 13961019 YDUUNKKLSHCDIA-UHFFFAOYSA-N 352.350 3.208 5 50 FGBA O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 2998854 AXFOODBVHRSXCX-UHFFFAOYSA-N 371.368 3.225 5 50 FGBA Cc1nn([C@@H](C)c2nc3c4c(C)c(C)sc4ncn3n2)c(C)c1[N+](=O)[O-] 2808777 SFWZORSVEQNEGX-JTQLQIEISA-N 371.426 3.287 5 50 FGBA O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccc(F)c(Cl)c1 253429970 VZLFLVJJIHSFAR-UHFFFAOYSA-N 370.789 3.280 5 50 FGBA CC[N@@+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 253387948 WPUKUEMZZRVAKZ-OFNKIYASSA-N 354.470 3.095 5 50 FGBA in-man Cc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1F 13320322 PBYSYZMSFKKTIJ-UHFFFAOYSA-N 358.373 3.396 5 50 FGBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 872969 AKIRAYLLRCBPCM-INIZCTEOSA-N 371.349 3.046 5 50 FGBA CC[C@H](NC(=O)Cn1c([N+](=O)[O-])cnc1C)C12CC3CC(CC(C3)C1)C2 4625675 FFOZHAKNBLANOR-DZPQGLOJSA-N 360.458 3.211 5 50 FGBA COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc([N+](=O)[O-])cc2)n1 4115682 XBTSGHICLAHBKG-UHFFFAOYSA-N 372.772 3.435 5 50 FGBA Cc1ccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 104229314 KIUIOJRVLVZLQH-UHFFFAOYSA-N 363.242 3.371 5 50 FGBA O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 104129696 RIXMHPATNAIPPM-OWOJBTEDSA-N 360.238 3.490 5 50 FGBA O=C(COc1ccccc1Br)Nc1cccc([N+](=O)[O-])c1 943116 KTCHGBVINPEYOU-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(OC)c1OC 1189034 DKKWNIDZRDDYHK-UHFFFAOYSA-N 350.302 3.012 5 50 FGBA CC(C)(C)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 854861 OYRPVLSTPUNKJK-AWEZNQCLSA-N 359.304 3.094 5 50 FGBA CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4499400 ZNBBUONBXZKXJB-UHFFFAOYSA-N 371.393 3.082 5 50 FGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(Br)c1 940137 COTCTEUOLLMEFG-UHFFFAOYSA-N 351.156 3.375 5 50 FGBA CC(=O)c1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)cc1 12380170 MKLNNGDKCVQPCC-CLFYSBASSA-N 367.317 3.017 5 50 FGBA O=C(COc1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 1179919 KTEGQFYJNBWUSF-UHFFFAOYSA-N 365.798 3.140 5 50 FGBA COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)C(C)C 1122177 QKAWGENQCGFAOE-UHFFFAOYSA-N 357.366 3.450 5 50 FGBA C[C@H](CCc1ccc(O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4981298 DGTYZWPUJOENPT-MRXNPFEDSA-N 355.438 3.444 5 50 FGBA Cc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1 1423775 SXMWHPGAJKUGBY-UHFFFAOYSA-N 365.389 3.455 5 50 FGBA Cc1c(C(=O)NC(=S)Nc2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] 1183175 LKKATQSRADGPAB-UHFFFAOYSA-N 358.423 3.096 5 50 FGBA O=C(CN1CCCCCC1)Nc1ccc(Br)cc1[N+](=O)[O-] 5064575 RHTUQQMQAVBSGS-UHFFFAOYSA-N 356.220 3.172 5 50 FGBA CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1cccc([N+](=O)[O-])c1 5575423 KGQVAQYWLOFLEJ-LKFCYVNXSA-N 362.411 3.243 5 50 FGBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC(C)C)cc1 3055985 MFYHENPFHMHPRF-LDADJPATSA-N 367.405 3.199 5 50 FGBA Cc1nc(C[C@@H]2CCCN(c3ccc4cc(F)cc([N+](=O)[O-])c4n3)C2)no1 170610848 KXOYGFJCHKLGMO-LBPRGKRZSA-N 371.372 3.433 5 50 FGBA COc1cccc2c1oc(=O)c1c(NC(C)=O)nc(-c3ccccc3)nc12 811070 WNIPSPQZXKQGNW-UHFFFAOYSA-N 361.357 3.370 5 50 FGBA O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1846448 DMIUPZAMXYQKBR-UHFFFAOYSA-N 366.267 3.471 5 50 FGBA in-vivo CCCCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1 4740498 ZFOGKHOOZHIZCY-UHFFFAOYSA-N 366.399 3.058 5 50 FGBA O=C(O)CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccc([N+](=O)[O-])c1 4950909 MVWOYLBXRJDFRS-AWEZNQCLSA-N 373.390 3.199 5 50 FGBA O=C(Nc1ccc(CN2CCOCC2)cc1)Nc1ccccc1[N+](=O)[O-] 13324873 DFCNVCQZCJLKQT-UHFFFAOYSA-N 356.382 3.071 5 50 FGBA Cc1nc(C[C@H]2CCCN(c3ccc4cc(F)cc([N+](=O)[O-])c4n3)C2)no1 170610849 KXOYGFJCHKLGMO-GFCCVEGCSA-N 371.372 3.433 5 50 FGBA COc1ccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1193012 CEDFIABBBRYNBE-NYYWCZLTSA-N 357.391 3.130 5 50 FGBA COc1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 903293 BZPYPFMKMMXEDI-UHFFFAOYSA-N 364.785 3.238 5 50 FGBA O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCc2ccccc21 4821024 PUEXISSRGVUGKF-UHFFFAOYSA-N 367.405 3.024 5 50 FGBA COc1cccc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)c1 4980368 ILDLMJDSJJWLFS-FNORWQNLSA-N 353.422 3.439 5 50 FGBA CC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccc(Cl)cc2)C1 22170618 YBXDNQUCJAFDPP-SFHVURJKSA-N 373.796 3.244 5 50 FGBA O=[N+]([O-])c1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2800321 LXLHKGSVSHTJOS-UHFFFAOYSA-N 357.333 3.038 5 50 FGBA CCOC1=N[C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 244764080 PBCGKBLCCNXYEK-KURKYZTESA-N 352.394 3.384 5 50 FGBA CSCC[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O 170612801 XWHHAICMKBDRGJ-CQSZACIVSA-N 350.396 3.151 5 50 FGBA CCOC(=O)c1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nc1C 1199825 IBTUHSSAXLUSJF-RMKNXTFCSA-N 361.379 3.188 5 50 FGBA CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1c([N+](=O)[O-])cnc1C 2325871613 RYEJVDBOEXOSDW-UHFFFAOYSA-N 367.427 3.033 5 50 FGBA Cc1cccc(-n2c(CCn3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)c1 5427265 VRRDUIBPADYHAW-UHFFFAOYSA-N 358.427 3.203 5 50 FGBA Cc1nn(C)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Br 6824946 ZISJDRXOSYQNNM-UHFFFAOYSA-N 373.594 3.305 5 50 FGBA COc1cc2c(c(OC)c1OC)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2 1064293 RHACCSIMXWQWJE-LLVKDONJSA-N 358.350 3.095 5 50 FGBA Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 4548709 GAQFJFSMSCECKY-UHFFFAOYSA-N 365.345 3.247 5 50 FGBA O=C(O)[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 4918920 XPYKNMWDXPRBSB-NXEZZACHSA-N 359.165 3.420 5 50 FGBA O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccccc1[N+](=O)[O-] 1093216 YOWCFOVIWZQVCO-UHFFFAOYSA-N 370.434 3.322 5 50 FGBA aggregator O=[N+]([O-])c1cccc([C@@H]2C=C(c3ccccc3Cl)Nc3nnnn32)c1 100772106 CQGCDDROXIPWKU-HNNXBMFYSA-N 354.757 3.291 5 50 FGBA Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(O)c([N+](=O)[O-])c2)[C@H](C)CO1 164778343 ZPGPWOYHLQJKMG-ACJLOTCBSA-N 356.378 3.211 5 50 FGBA CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccc([N+](=O)[O-])c1O 136876411 BZQQVSWIDYXCIM-MRXNPFEDSA-N 356.378 3.293 5 50 FGBA O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 4185211 UXESUXUETPIGJT-UHFFFAOYSA-N 364.199 3.199 5 50 FGBA CCOC(=O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 4653478 FDUQUNHEFYIJLG-QGZVFWFLSA-N 356.378 3.328 5 50 FGBA COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-] 1054616 DJLKWADJPHWOBG-UHFFFAOYSA-N 369.377 3.092 5 50 FGBA O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1NC1CCCCCC1 4808363 ZUHPAGHMJKMOLJ-UHFFFAOYSA-N 351.794 3.202 5 50 FGBA CCOC(=O)C[C@@H](NC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 3622451 TUJGVSWVBXRNTE-QGZVFWFLSA-N 356.378 3.328 5 50 FGBA Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@]12CCCc1ccccc12 151392741 VYKOXEDXBGQMBU-MGPUTAFESA-N 351.406 3.322 5 50 FGBA