smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 4135767 HYMQARAMCNOPHN-NSHDSACASA-N 374.378 2.345 5 50 FEBA CCOC(=O)Cc1csc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 9087425 RUGCLUMCIVRDMV-UHFFFAOYSA-N 365.367 2.418 5 50 FEBA NS(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 4802092 AYICMMRAXDUGGO-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 4703608 IYAFTWSDPVQGJH-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1[N+](=O)[O-] 100302271 YLWSYUIFDBSVLQ-GREKMHCPSA-N 356.334 2.222 5 50 FEBA O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 286421554 VKVCAGYIHSRGPY-GZMMTYOYSA-N 372.303 2.104 5 50 FEBA COc1cc(F)ccc1S(=O)(=O)n1cnc2cc([N+](=O)[O-])ccc21 783445 AVVWJUVAMDEVDT-UHFFFAOYSA-N 351.315 2.329 5 50 FEBA O=C(NCCCc1nc[nH]n1)Nc1ccc(Br)c([N+](=O)[O-])c1 225524636 YMLCZRJJJLWUAQ-UHFFFAOYSA-N 369.179 2.230 5 50 FEBA CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2c1cnn2CCO 363093117 BUBRPLMURAVUOD-MRXNPFEDSA-N 360.414 2.350 5 50 FEBA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20602134 VWOSJXCHHGRPAX-UHFFFAOYSA-N 358.807 2.285 5 50 FEBA CCOc1c(Br)cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC 2459186 SKJQOHGNTLIWTN-ZWNOBZJWSA-N 373.203 2.453 5 50 FEBA NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2[N+](=O)[O-])c1 4756126 ZKDVEBJYJUJUBC-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA COc1ccc(-n2c(C)nn(Cc3ccc([N+](=O)[O-])cc3)c2=O)c(OC)c1 4089201 NGSRXFFBNQNIDQ-UHFFFAOYSA-N 370.365 2.316 5 50 FEBA Cc1c(Nc2ccc([N+](=O)[O-])ccc2=O)c(=O)n(-c2ccccc2)n1C 4828768 WGGBTXHCNOOHBI-UHFFFAOYSA-N 352.350 2.496 5 50 FEBA biogenic Cc1cc(C)n2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2n1 4523884 BOVCVAIGCSYDQY-UHFFFAOYSA-N 358.383 2.380 5 50 FEBA COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C 2868869 QUZRIIWESOUGGP-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA O=[N+]([O-])c1ccccc1OC[C@H](O)CNC[C@@H]1OCCc2ccccc21 4996911 LUXPIWUVQHWOHJ-BEFAXECRSA-N 358.394 2.238 5 50 FEBA NC(=O)[C@H](Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477038474 SWJOBZILQCACFJ-AWEZNQCLSA-N 368.798 2.119 5 50 FEBA COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC 2459177 UXKRIFRARWHSDM-CABZTGNLSA-N 359.176 2.063 5 50 FEBA CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2 1067494 POVBSAUKZRXNRS-UHFFFAOYSA-N 364.383 2.157 5 50 FEBA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 4551777 FHLUUTSUZYZHJY-KPKJPENVSA-N 366.351 2.203 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(C[C@H](O)COc3ccccc3)CC2)cc1 19595645 JPJOVOODFZGOBN-SFHVURJKSA-N 357.410 2.157 5 50 FEBA NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1 2858239 PTUHDOXXKYCAQB-CYBMUJFWSA-N 355.350 2.012 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 4141150 FJJIQBMSVJEXLQ-HNNXBMFYSA-N 363.370 2.191 5 50 FEBA CS(=O)(=O)NCCCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 4663129 UXGNMHXVMDQNAI-UHFFFAOYSA-N 355.338 2.355 5 50 FEBA COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 170088712 UERDAEFCSLXCMO-OAHLLOKOSA-N 350.350 2.416 5 50 FEBA Cc1ccc(N2CCN(C[C@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 19812891 WWPBGEJSWDKKKU-IBGZPJMESA-N 371.437 2.465 5 50 FEBA CC(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@@H]34)[C@H]2C1=O 245256069 NHLGERWOCKZJIX-IBPCWRJOSA-N 369.381 2.179 5 50 FEBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCNC[C@@H]1c1ccc(F)c(F)c1 1875311937 DQUYESIFJXLRNU-MRXNPFEDSA-N 362.336 2.363 5 50 FEBA C[N@+]12CC[C@]34c5ccccc5N[C@H]3[C@@H]3[C@H](CC(=O)O)OCC=C(C1)[C@@H]3C[C@@H]42 252695399 ZKGBDMFTGPUHJP-JCGVQRKDSA-O 367.469 2.387 5 50 FEBA biogenic C[C@H](O)CNc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-] 4164369 YOEHTRBCGIIBHK-NSHDSACASA-N 354.366 2.301 5 50 FEBA CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 19940007 PDYFVULYMMSZNY-UHFFFAOYSA-N 363.361 2.480 5 50 FEBA COC(=O)c1ccc(OC(=O)C[S@@](=O)c2ccccc2[N+](=O)[O-])cc1 936457 FWZLNQSGWDMVNZ-VWLOTQADSA-N 363.347 2.095 5 50 FEBA O=C(Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1)Nc1cccc2nsnc12 2325874635 VHMQCXCFFCPDQE-UHFFFAOYSA-N 372.288 2.454 5 50 FEBA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 2927074 XLIDVEPYPSWKET-OAHLLOKOSA-N 363.370 2.145 5 50 FEBA CCN(CC)C(=O)[C@@H]1CCCN(Cc2cc(OC)c(O)c([N+](=O)[O-])c2)C1 4977901 LFDLSZPMOOMRAR-CQSZACIVSA-N 365.430 2.389 5 50 FEBA CCn1c(=O)c([N+](=O)[O-])c(NCCCN2CCOCC2)c2ccccc21 19808889 YZHFSGLZTJUYKA-UHFFFAOYSA-N 360.414 2.064 5 50 FEBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3879331 QYINTMWTCQRGFW-UHFFFAOYSA-N 356.338 2.465 5 50 FEBA Cc1nn(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)c(C)c1[N+](=O)[O-] 2777887 METDOOFWYYRSEZ-GHMZBOCLSA-N 362.386 2.299 5 50 FEBA Cc1noc(C)c1CN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 170599947 DYDPLOLYLOCSOP-UHFFFAOYSA-N 370.413 2.394 5 50 FEBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccccc1 4687388 FFHYQHRQFNYPQQ-CQSZACIVSA-N 361.423 2.494 5 50 FEBA COC(=O)c1ccc(OC(=O)C[S@](=O)c2ccccc2[N+](=O)[O-])cc1 8468197 FWZLNQSGWDMVNZ-RUZDIDTESA-N 363.347 2.095 5 50 FEBA COCCCn1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O 38828994 RYICPYOEIHNWBL-UHFFFAOYSA-N 362.389 2.132 5 50 FEBA COc1cccc2cc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)c(=O)oc12 4625645 XKNFBQFUWUPDBG-UHFFFAOYSA-N 373.321 2.072 5 50 FEBA COC(=O)COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 1064127 IXQKGFOWWWVJQQ-UHFFFAOYSA-N 360.322 2.408 5 50 FEBA Cc1cc(C)nc(SCC(=O)Nc2cc(C(=O)O)cc([N+](=O)[O-])c2)n1 4720938 GBVVVYZGZSVACV-UHFFFAOYSA-N 362.367 2.431 5 50 FEBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([C@@H]2CCOC2)C1 378227961 NPUIMEFRYHJOMU-VXGBXAGGSA-N 357.366 2.347 5 50 FEBA COCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 4906699 HBNJWCRIOBGBTJ-GFCCVEGCSA-N 368.773 2.315 5 50 FEBA CC[C@@H]1OCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 277742618 ISDFBBBQGQZCMI-ZFWWWQNUSA-N 366.414 2.476 5 50 FEBA O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1Cc2ccccc21 170646478 XUZJHPALGAEPNT-AWEZNQCLSA-N 354.362 2.365 5 50 FEBA CCCCCn1c(=O)c(F)cn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 4950961 FGSIUFVWXKGCRY-UHFFFAOYSA-N 365.361 2.304 5 50 FEBA Cc1cc(C)n(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(=O)c1 2796835 DFIIQGKROSINFB-UHFFFAOYSA-N 367.365 2.002 5 50 FEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 4950303 HPQJZGOISPBBKZ-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA CC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 1110358 ZNRUGYGFNQGSIT-INIZCTEOSA-N 368.349 2.297 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)Cc1ccccc1 2735241 XMBNOLRKKGZFMP-UHFFFAOYSA-N 364.379 2.157 5 50 FEBA CCOC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1842865 RVEIAMZETABDBE-MRXNPFEDSA-N 368.345 2.365 5 50 FEBA CNS(=O)(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1 2853326 UHRQBGPWUPBZPA-UHFFFAOYSA-N 366.424 2.312 5 50 FEBA CN(C)c1ccnc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 195252658 GPHIOMMKNMHQQM-UHFFFAOYSA-N 355.398 2.018 5 50 FEBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 1129120 MIOIFWKZOQNADS-UHFFFAOYSA-N 367.358 2.139 5 50 FEBA COc1ccc(CCn2c(=O)oc3ccc([N+](=O)[O-])cc3c2=O)cc1OC 12952645 JYQJQJOCZNYZDL-UHFFFAOYSA-N 372.333 2.123 5 50 FEBA CC[C@H]1OCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 277742606 ISDFBBBQGQZCMI-UKRRQHHQSA-N 366.414 2.476 5 50 FEBA COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)O)cc1OC 1119611 RNZHIXZMNBJXEB-UHFFFAOYSA-N 360.322 2.491 5 50 FEBA CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 2875826 RJUQWMPOEWLLED-UHFFFAOYSA-N 363.395 2.244 5 50 FEBA O=C(O)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 4718025 AASAAGQVBJFBKV-CYBMUJFWSA-N 358.306 2.269 5 50 FEBA O=C(NCCN1CCCOC1=O)c1c[nH]c2c(ccc3ccccc32)c1=O 221221635 NJZQHTCLUUHYPJ-UHFFFAOYSA-N 365.389 2.253 5 50 FEBA COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 4980345 IHFNBYIEAVFRKS-UHFFFAOYSA-N 365.367 2.363 5 50 FEBA COc1cc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(OC)cc1Cl 1135257 AEPXQEUDOYILBH-UHFFFAOYSA-N 354.750 2.409 5 50 FEBA COc1cc(C=O)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 2827051 WKOKKJIBICKLCD-UHFFFAOYSA-N 351.336 2.492 5 50 FEBA C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)C1 4708609 VUGXWIZFMQXSRP-CYBMUJFWSA-N 357.435 2.268 5 50 FEBA Cc1cc(NC(=O)C23C[C@@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)no1 18172584 CRLOBXFVWHKQLJ-GKUGFIGPSA-N 372.385 2.417 5 50 FEBA CN1C[C@H](c2ccccc2)[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 222029238 WIPWDBURFAJREA-MSOLQXFVSA-N 355.394 2.188 5 50 FEBA CSCCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1ccccc1[N+](=O)[O-] 4913623 XMVQVLGCHLIMSH-GFCCVEGCSA-N 350.396 2.379 5 50 FEBA O=C(O)c1cc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])ccc1F 324372647 UKHPKVAEYGBBIT-UHFFFAOYSA-N 354.315 2.374 5 50 FEBA O=C(CCNc1ccccc1[N+](=O)[O-])OCCOc1cncc(Cl)n1 2325709751 GXVOGXHMKUNZKX-UHFFFAOYSA-N 366.761 2.462 5 50 FEBA Cc1ccn2c(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3C)nnc2c1 2325852848 WDVQDHOGGCOYEK-UHFFFAOYSA-N 361.383 2.364 5 50 FEBA CC(C)C1(O)CN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)C1 170089489 XHFVXMXJJMFGPX-UHFFFAOYSA-N 350.418 2.384 5 50 FEBA CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 4740899 VFWOCRLMTZDHLF-UHFFFAOYSA-N 355.398 2.270 5 50 FEBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1 19288165 WCINJEJRWDCPBM-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA CN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 1875363326 FFXPFPPFWYPZCN-UHFFFAOYSA-N 364.383 2.489 5 50 FEBA O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 820114 ISXGYQZVJVNFNR-UHFFFAOYSA-N 364.379 2.408 5 50 FEBA COc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1[N+](=O)[O-] 4980339 UUZYQHRKECYFIU-UHFFFAOYSA-N 352.324 2.102 5 50 FEBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 247815829 GCFVPEYBEXLNLH-SCRDCRAPSA-N 368.411 2.090 5 50 FEBA O=C(CS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCCC1CCCCC1 170636810 KORRSCYCEJSZGX-UHFFFAOYSA-N 354.428 2.455 5 50 FEBA O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 1145747 URWNCMQLOBDVND-UHFFFAOYSA-N 369.786 2.165 5 50 FEBA O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)OCO2 35999923 QDCMPSRGIPSCBQ-UHFFFAOYSA-N 361.335 2.156 5 50 FEBA Nc1nc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nn1-c1ccccc1 1316543 HYRNGDXLDCIQNT-MDZDMXLPSA-N 350.338 2.410 5 50 FEBA Cc1ccc(N2CCN(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 19812888 WWPBGEJSWDKKKU-LJQANCHMSA-N 371.437 2.465 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1ccco1 1070775 ZALYCIUORLZMBL-QMMMGPOBSA-N 357.164 2.333 5 50 FEBA Cc1nn(CC(=O)N(C)Cc2ccc(-n3cccn3)cc2)c(C)c1[N+](=O)[O-] 2765000 JRYNSEUBDQFRML-UHFFFAOYSA-N 368.397 2.252 5 50 FEBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1Cc2ccccc2O1 175994165 JZEOEXGAYDBFHJ-CQSZACIVSA-N 351.322 2.322 5 50 FEBA O=C(NCc1ccncc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1133954 NEDYHTKFYXBQHA-UHFFFAOYSA-N 368.393 2.158 5 50 FEBA CCOc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC 1074889 KRRBMLDLDVJQPZ-GWCFXTLKSA-N 373.203 2.453 5 50 FEBA Cc1cc(C)n2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc2n1 4523917 IKWRHYSXZRJQQH-UHFFFAOYSA-N 358.383 2.380 5 50 FEBA CSCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 4913622 XMVQVLGCHLIMSH-LBPRGKRZSA-N 350.396 2.379 5 50 FEBA Nc1ccc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1[N+](=O)[O-] 372593553 WPKQSKCLDAHYEJ-HUUCEWRRSA-N 352.394 2.037 5 50 FEBA O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4045944 PZAADSYODXCXHB-UHFFFAOYSA-N 355.350 2.286 5 50 FEBA CCOCCCn1c(=N)c(C(=N)S)cc2c(=O)n3cccc(C)c3nc21 100642157 FNYOQWPTWAKZSS-UHFFFAOYSA-N 371.466 2.119 5 50 FEBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1[N+](=O)[O-] 247815825 GCFVPEYBEXLNLH-BZPMIXESSA-N 368.411 2.090 5 50 FEBA CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cc2[N+](=O)[O-])CC1 13462158 CYGRJUZYSXUAMM-UHFFFAOYSA-N 351.359 2.350 5 50 FEBA CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1857526166 UAUHEPXILIZYCU-YRYOSXQYSA-N 369.529 2.479 5 50 FEBA CC1=NN(C(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])[C@@](O)(C(F)(F)F)C1 6394898 KACKWDABUDXXJT-RNCFNFMXSA-N 361.276 2.221 5 50 FEBA O=C(O)CCN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 1201160 BICJQBMBVLSMSX-UHFFFAOYSA-N 356.290 2.458 5 50 FEBA NC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCC2 1891917 FGEXTZKFUQGGAF-UHFFFAOYSA-N 361.379 2.261 5 50 FEBA COc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5019987 YEWLCCUSUVOTQC-UHFFFAOYSA-N 371.393 2.331 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 673714 TZSWKFDILSRYEF-UHFFFAOYSA-N 365.367 2.363 5 50 FEBA O=C(Cc1cccs1)Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1 2760512 MRQFSXSNLXMMPZ-LBPRGKRZSA-N 368.436 2.283 5 50 FEBA CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1857526164 UAUHEPXILIZYCU-OFUKAMRASA-N 369.529 2.479 5 50 FEBA COC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 1129241 QAIDTXYNZNTUQB-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA CCCC[N@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 256918501 YBCNXCRZPWQOBR-VRJKEZBZSA-N 360.474 2.233 5 50 FEBA COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1 1184060 FRPZGQIGEWDMSD-LLVKDONJSA-N 370.159 2.158 5 50 FEBA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc([N+](=O)[O-])c1 52537638 BJJMNXOGZTYMND-UHFFFAOYSA-N 358.373 2.495 5 50 FEBA CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913488 RKYIPQKAHZQMDY-OCCSQVGLSA-N 360.366 2.195 5 50 FEBA CCn1nccc1CN(C)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2795372 PWTTUZUKNXUCTC-UHFFFAOYSA-N 368.397 2.328 5 50 FEBA CCCCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C 257347198 ZHESEXKBFWPZMZ-WMDIELAYSA-N 366.478 2.078 5 50 FEBA C[C@@H](O)CNc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-] 4164384 YOEHTRBCGIIBHK-LLVKDONJSA-N 354.366 2.301 5 50 FEBA O=C(COc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 4750118 WKPSWBCVERHXJW-UHFFFAOYSA-N 359.357 2.462 5 50 FEBA CN(C(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)c1ccccc1 225490212 DVYAGBXZXVTNPU-CQSZACIVSA-N 369.377 2.426 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1nn(C)cc1Br 4615036 RDXRTBVZPGTTNG-UHFFFAOYSA-N 355.148 2.352 5 50 FEBA Nc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1[N+](=O)[O-] 372593554 WPKQSKCLDAHYEJ-HWWDLCQESA-N 352.394 2.037 5 50 FEBA CN(C)CCNc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1[N+](=O)[O-] 3908820 SDWLYVXREUSDDA-UHFFFAOYSA-N 353.382 2.472 5 50 FEBA CC(=O)Nc1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 1131469 GALNPYQBFCGPCD-UHFFFAOYSA-N 371.349 2.026 5 50 FEBA NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1 2858238 PTUHDOXXKYCAQB-ZDUSSCGKSA-N 355.350 2.012 5 50 FEBA CC[C@H]1OCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 277742574 ISDFBBBQGQZCMI-DZGCQCFKSA-N 366.414 2.476 5 50 FEBA CCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C1 225473526 AXIFJVTUYQAZOY-LBPRGKRZSA-N 351.378 2.421 5 50 FEBA CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 16482958 MIADWOSPLXMZFN-NSHDSACASA-N 369.805 2.462 5 50 FEBA CC(C)(C)OC(=O)NC1(c2noc(-c3cc([N+](=O)[O-])n[nH]3)n2)CCC1 841736109 BLJRLEZCBKPYRL-UHFFFAOYSA-N 350.335 2.272 5 50 FEBA Cc1ccn(Cc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)n1 2806689 CPLMHIGBCXYEJY-UHFFFAOYSA-N 374.382 2.262 5 50 FEBA Cc1n[nH]c(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)n1 36360209 VKELONLSFNVCOP-UHFFFAOYSA-N 362.393 2.242 5 50 FEBA C[C@@H](NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 1125772 UDIGCBSGXHXBJY-SECBINFHSA-N 353.176 2.431 5 50 FEBA O=[N+]([O-])c1ccc(OC[C@H](O)CNC[C@@H]2OCCc3ccccc32)cc1 4350536 PAVLJSHQPCIAPU-APWZRJJASA-N 358.394 2.238 5 50 FEBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(F)cc1 850477 UMZYGLXJUXJBKX-UHFFFAOYSA-N 357.297 2.359 5 50 FEBA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 1128803 JAMNJEGSXPYZRE-UHFFFAOYSA-N 355.350 2.320 5 50 FEBA CCOC(=O)c1cnn2c(C(=O)OC)cc(-c3cccc([N+](=O)[O-])c3)nc12 13645592 CPNQWIKBBDUGRS-UHFFFAOYSA-N 370.321 2.268 5 50 FEBA CCn1ccc(CN(C)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 2795518 LCWJVZNFRBITJU-UHFFFAOYSA-N 368.397 2.328 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1-c1ccccc1 40399074 AOJUTPLAZUOAAK-UHFFFAOYSA-N 355.357 2.413 5 50 FEBA Cn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2cc([N+](=O)[O-])ccc21 20481778 MCXBLUSSHZTCQK-UHFFFAOYSA-N 369.381 2.033 5 50 FEBA CC[C@@](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)(C(N)=O)C(C)C 182527905 RJIIIIGUJQTPLP-AWEZNQCLSA-N 372.219 2.377 5 50 FEBA O=C(Nc1ccc(Cl)cc1C(=O)NCCO)c1cccc([N+](=O)[O-])c1 2839095 MYEPNGYBYPTHHI-UHFFFAOYSA-N 363.757 2.223 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(CC2(C)CCC2)CC1 225578349 RTIROSXEUUIQEN-UHFFFAOYSA-N 367.471 2.400 5 50 FEBA CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C2CCCCC2)c1=N 100627832 HXLOXKFHTGOELF-UHFFFAOYSA-N 365.437 2.302 5 50 FEBA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1CCO 38828955 LWWYMYPRYOCOGU-UHFFFAOYSA-N 367.792 2.346 5 50 FEBA Nc1ccc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1[N+](=O)[O-] 372593552 WPKQSKCLDAHYEJ-GJZGRUSLSA-N 352.394 2.037 5 50 FEBA CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(C(=O)O)c2)CC1 16697266 UURLRAAZXIBLIQ-UHFFFAOYSA-N 351.359 2.350 5 50 FEBA in-vitro C[C@@H](OC(=O)CCCCC(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 225841217 DJQLZCIIIIGVFT-SNVBAGLBSA-N 362.342 2.295 5 50 FEBA COC(=O)c1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] 228898437 OEUUDXBMYINAQM-UHFFFAOYSA-N 354.363 2.150 5 50 FEBA O=C1C[C@@H]2OCC=C3C[N@+]4([O-])CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]64 247288850 ADTDBAKUQAKBGZ-ZQRQUAGVSA-N 350.418 2.105 5 50 FEBA in-vitro C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 1149612 YWWBSUZTIQZRSR-VXGBXAGGSA-N 367.361 2.457 5 50 FEBA Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](c2nccs2)C1 252498482 RCXOVSWMTIBYFT-ZDUSSCGKSA-N 372.410 2.425 5 50 FEBA COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 5065623 SXCMORKBOWMLLN-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N 100627152 VEJHQDIYCRWMTB-UHFFFAOYSA-N 374.400 2.272 5 50 FEBA O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1Cc2ccccc21 170646477 XUZJHPALGAEPNT-CQSZACIVSA-N 354.362 2.365 5 50 FEBA CCOC(=O)c1ccc(NN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 4310068 FIVFWJMRIURBFT-UHFFFAOYSA-N 355.306 2.395 5 50 FEBA Cc1nn(C)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1Cl 5587159 UKPVEHDSFDPUMM-UHFFFAOYSA-N 353.791 2.417 5 50 FEBA O=C(Cc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 893224 HOOQAZOPFXVEJC-UHFFFAOYSA-N 353.378 2.122 5 50 FEBA CN(C)S(=O)(=O)Oc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 4090220 OMTNGMWZRPMOOV-UHFFFAOYSA-N 365.367 2.032 5 50 FEBA C/C=C1/C[N@+]2([O-])CC[C@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 257400893 CWLUMLLPZBYHMO-ZUPHLCEASA-N 356.422 2.365 5 50 FEBA biogenic CC(C)C[C@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 225478235 ZVFDHCJUPZSYCF-SECBINFHSA-N 369.365 2.265 5 50 FEBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@@H]([C@H]2CCOC2)C1 378227950 NPUIMEFRYHJOMU-NEPJUHHUSA-N 357.366 2.347 5 50 FEBA CCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C 230099981 ZHESEXKBFWPZMZ-MPRNQXESSA-N 366.478 2.078 5 50 FEBA COC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C1=O 4694682 WRDKCIWJQMMROB-BJMVGYQFSA-N 356.743 2.458 5 50 FEBA O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1Cl 1218154 PGXGRZYDNFVWND-UHFFFAOYSA-N 359.725 2.483 5 50 FEBA COCCCn1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O 36125580 WXNSVRCFERXSSG-UHFFFAOYSA-N 365.389 2.389 5 50 FEBA COc1ccc2c(c1)[C@@H](N)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 170615014 DZYWYKZZHMWKAA-HNNXBMFYSA-N 363.395 2.202 5 50 FEBA O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC2(c3ccccn3)CC2)cc1 170599205 IZJNDUDRWOZXPV-UHFFFAOYSA-N 361.423 2.184 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2ccccn2)CC1 5041360 UPRIOZQFJHAXTI-UHFFFAOYSA-N 357.370 2.353 5 50 FEBA COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C 5150734 QIBYCNOVQSWUHR-UHFFFAOYSA-N 366.351 2.411 5 50 FEBA CCOC(=O)c1cnc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1N 16667384 GWECAEFYWYGWFM-UHFFFAOYSA-N 365.327 2.203 5 50 FEBA Cc1c(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2883478 YBZKCVLGQRCIRQ-UHFFFAOYSA-N 369.443 2.436 5 50 FEBA O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 4071114 NSTIMXLDNIPDEP-UHFFFAOYSA-N 370.770 2.455 5 50 FEBA CC(=O)N1N=C(Cc2ccc([N+](=O)[O-])cc2)O[C@@]12C(=O)Nc1ccccc12 4753746 HLXKYHYUVIUJEK-SFHVURJKSA-N 366.333 2.135 5 50 FEBA COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 4649832 UPICHFWSBLXUSF-LLVKDONJSA-N 374.378 2.345 5 50 FEBA C/C=C1/C[N@@+]2([O-])CC[C@H]1[C@@](CO)(C(=O)OC)c1[nH]c3ccccc3c1C2 257400891 CWLUMLLPZBYHMO-IQFNRYHKSA-N 356.422 2.365 5 50 FEBA biogenic O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 893010 BNJUXNDVUCIFNF-UHFFFAOYSA-N 357.341 2.332 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1C[C@@H]1CCCO1 38829114 GRSHXDITRTXOPQ-HNNXBMFYSA-N 374.400 2.275 5 50 FEBA O=C(c1ccco1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 1049144 RHBQUCOCYUYXGW-UHFFFAOYSA-N 363.757 2.439 5 50 FEBA CC1=NN(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])[C@](O)(C(F)(F)F)C1 6394387 KACKWDABUDXXJT-TVQRCGJNSA-N 361.276 2.221 5 50 FEBA COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cccc([N+](=O)[O-])c1 1793577 ZHEODWWCHIFPSA-OAHLLOKOSA-N 363.370 2.097 5 50 FEBA CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12 216099479 YBCNXCRZPWQOBR-AAKQOKGDSA-N 360.474 2.233 5 50 FEBA COc1cccc(Cn2cc(NC(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)cn2)c1 2747973 HRNCTHMJINMWOF-GFCCVEGCSA-N 370.369 2.244 5 50 FEBA CCOc1ccc(NC(=S)NC(=O)c2cnn(CC)c2)c([N+](=O)[O-])c1 4619416 VUZQCGGOEMCTMK-UHFFFAOYSA-N 363.399 2.337 5 50 FEBA CCOC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@](O)(C(C)(C)C)C1 1214507 PHPLUBKNUXMVRE-QGZVFWFLSA-N 363.370 2.095 5 50 FEBA O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1ccc(Cl)cc1 1433045 USMCVWUGLKNDLS-UHFFFAOYSA-N 360.555 2.241 5 50 FEBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(C2CC2)C[C@]1(O)C(F)(F)F 4178868 HEYGJZZOLIXJPR-AWEZNQCLSA-N 357.288 2.387 5 50 FEBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1 5027754 BMSDFWXIBZHEMY-HNNXBMFYSA-N 372.337 2.463 5 50 FEBA COc1ccccc1OCC(=O)N[C@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 3623485 XXENMXLQLIPUSB-CQSZACIVSA-N 374.349 2.314 5 50 FEBA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 4113576 DBPHTTTYJGFOFP-ZDUSSCGKSA-N 351.384 2.129 5 50 FEBA CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 100301664 VHKDQEYSOQODTG-UHFFFAOYSA-N 365.437 2.211 5 50 FEBA O=[N+]([O-])c1ccccc1CN1CC(S(=O)(=O)c2ccccc2F)C1 328594939 GJIBDMVFZYQABO-UHFFFAOYSA-N 350.371 2.392 5 50 FEBA COC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 4980363 MIMDZVLJYRSZNT-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1 1088725 QCLHKJWRLYJLPS-AWEZNQCLSA-N 366.370 2.432 5 50 FEBA C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 4810438 NPMJPRRPMFYGMT-JTQLQIEISA-N 367.358 2.039 5 50 FEBA COc1cccc(NC(=O)c2ccc(N3CCNCC3)c([N+](=O)[O-])c2)c1 4978063 TUMWCDYVJUCINJ-UHFFFAOYSA-N 356.382 2.265 5 50 FEBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3879647 SWSMKVMRFRXKSK-UHFFFAOYSA-N 356.338 2.465 5 50 FEBA COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 7602787 APQAMGJKAGVZOQ-UHFFFAOYSA-N 364.379 2.272 5 50 FEBA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101322442 JJDXFQYTEGVSCN-MWDDYTRKSA-N 371.393 2.263 5 50 FEBA CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913491 RKYIPQKAHZQMDY-TZMCWYRMSA-N 360.366 2.195 5 50 FEBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3879349 AFKBDMGSPIEJHO-UHFFFAOYSA-N 370.365 2.394 5 50 FEBA Cc1nn(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Cl 2780843 ZURCQDGCRSABAU-UHFFFAOYSA-N 372.834 2.430 5 50 FEBA COc1cc(NC(=O)Cn2nc([N+](=O)[O-])cc2C)c(OC)cc1Cl 726750 UZZWKTRZSJRDEL-UHFFFAOYSA-N 354.750 2.409 5 50 FEBA CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N@+]3(CC)[C@@H]1O 252460852 IPJIEDBVLQTGNW-SXFGEADCSA-N 355.502 2.089 5 50 FEBA biogenic CCOC(=O)C1=NN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@](O)(C(C)(C)C)C1 1214505 PHPLUBKNUXMVRE-KRWDZBQOSA-N 363.370 2.095 5 50 FEBA CCn1ncc([N+](=O)[O-])c1C(=O)Nc1cc(OC)c(OC)c(OC)c1 679965 KVTJTDAPQBKEAJ-UHFFFAOYSA-N 350.331 2.089 5 50 FEBA CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1cccc([N+](=O)[O-])c1 1152732 UOBZSVLNMSDOGD-UHFFFAOYSA-N 369.443 2.200 5 50 FEBA CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=O 4037166 DODVQIAPPKTATQ-VQIMIIECSA-N 372.425 2.410 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cccs2)CC1 19854103 PTWZAUQWWDXPEM-UHFFFAOYSA-N 367.452 2.163 5 50 FEBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=S)n2C 20615518 PUJQMFFMIPJXAK-UHFFFAOYSA-N 372.362 2.353 5 50 FEBA COc1cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)cc1Br 2792858 FWYZKWZWVRHMPG-ZANVPECISA-N 359.176 2.063 5 50 FEBA Cc1nn(Cc2ccc(C(=O)N(C)Cc3cnn(C)c3)o2)c(C)c1[N+](=O)[O-] 2780434 OZOVPLFXKQPCLF-UHFFFAOYSA-N 372.385 2.055 5 50 FEBA O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)c2c(O)nc(N3CCCC3)nc2N1 828323365 ODAWDYQDILGRBN-GFCCVEGCSA-N 355.354 2.165 5 50 FEBA C=CC(=O)N1CCN(C(=O)c2cc(OC)c(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 1875381388 SXPTVKKGBITPEJ-JTQLQIEISA-N 367.789 2.116 5 50 FEBA O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CCN(c2ncccn2)CC1 170607791 UCAMZUZROBPXTD-UHFFFAOYSA-N 369.425 2.350 5 50 FEBA COc1c(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 476539248 RGIGGJFDLUOZTQ-ZDUSSCGKSA-N 369.377 2.418 5 50 FEBA COC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCC2 1421990 UPUDBOFNQAVGIS-QMMMGPOBSA-N 364.383 2.328 5 50 FEBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@H]([C@@H]2CCOC2)C1 378227954 NPUIMEFRYHJOMU-NWDGAFQWSA-N 357.366 2.347 5 50 FEBA CCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@H]5O)[C@@H](CC)[C@H]2O 252441405 UAUHEPXILIZYCU-UIFFETLCSA-N 369.529 2.479 5 50 FEBA O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)CC1 19863502 SSVXMQZHNWEVNK-UHFFFAOYSA-N 369.377 2.282 5 50 FEBA COc1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 850461 OFTNHCLAOWEQIG-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C(=O)O)cc1 1138553 QUBMIOIRDKZMAE-MHWRWJLKSA-N 369.333 2.409 5 50 FEBA C[C@H](NC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 1149611 YWWBSUZTIQZRSR-NWDGAFQWSA-N 367.361 2.457 5 50 FEBA O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O 19880987 SXGGDPZDAAMFHW-LBPRGKRZSA-N 373.346 2.112 5 50 FEBA Cc1ccc(Cn2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 2781037 FVIXQTVMKVSEGI-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)cc1 19595644 JPJOVOODFZGOBN-GOSISDBHSA-N 357.410 2.157 5 50 FEBA COC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCC2 1421991 UPUDBOFNQAVGIS-MRVPVSSYSA-N 364.383 2.328 5 50 FEBA O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl 4851781 OTCMEJPVEUKJJB-UHFFFAOYSA-N 370.770 2.455 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)CS(=O)(=O)Cc1ccccc1 4700446 DSMZJJZAKOPLON-UHFFFAOYSA-N 364.379 2.157 5 50 FEBA O=C(COc1ccccc1)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 19774094 GCWLFMHCCXZWQH-UHFFFAOYSA-N 355.394 2.318 5 50 FEBA COC(=O)C[C@@H](c1cccc([N+](=O)[O-])c1)c1c(O)n2ccccc2nc1=O 205968659 SLYRZFDOEWJXEH-ZDUSSCGKSA-N 369.333 2.003 5 50 FEBA O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@H]1CO 170611719 LVRNYQCKZHVIQI-LIRRHRJNSA-N 355.394 2.419 5 50 FEBA Cc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n1 40398584 VPTAMNZZXVUMHX-UHFFFAOYSA-N 370.372 2.116 5 50 FEBA COc1ccc([N+](=O)[O-])c(NCCCN2C(=O)NC3(CCCC3)C2=O)c1 170642722 YLFQJDJLWFKLDL-UHFFFAOYSA-N 362.386 2.270 5 50 FEBA Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1 7602789 OIKCVEHFZIFXGJ-UHFFFAOYSA-N 350.352 2.183 5 50 FEBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 52507900 DIPUKPJVMBHDPP-LLVKDONJSA-N 365.386 2.485 5 50 FEBA O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCC2 2325744380 OGZUCEULROXSID-MRXNPFEDSA-N 355.350 2.374 5 50 FEBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCOCO1 154499840 NHHKVVNMTHGSDE-CQSZACIVSA-N 352.390 2.034 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccc1 1067600 KEPWTACDOKCAQK-UHFFFAOYSA-N 353.176 2.179 5 50 FEBA COCCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5125609 ZPNDITSAZLQWMM-GHRIWEEISA-N 369.377 2.128 5 50 FEBA Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 1149623 AVIPIXDCGZMDAA-UHFFFAOYSA-N 363.395 2.308 5 50 FEBA O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] 52537397 YWUCZDXFXXGKNM-UHFFFAOYSA-N 358.373 2.495 5 50 FEBA Cc1ccn(Cc2csc(-c3ccc(C(N)=O)cc3)n2)c(=O)c1[N+](=O)[O-] 129763683 SLPGZFUUAWECAK-UHFFFAOYSA-N 370.390 2.336 5 50 FEBA O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 19842082 NJOQCSFSCXIORT-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 4854937 VIVCWFZPDUZJSW-UHFFFAOYSA-N 356.367 2.301 5 50 FEBA Cc1ccc(Cn2cnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 6373277 KBFVAOQANQVYOU-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 1113397 WNDSOTCEEORMEG-UHFFFAOYSA-N 355.416 2.128 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1 1150696 GBEUCPHTSSDJOJ-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1838759 IIXPCDRSYVHBBJ-UHFFFAOYSA-N 370.361 2.368 5 50 FEBA aggregator Cc1cc(O)ccc1NC(=O)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1125537 JVCJJFFRMSCGIM-UHFFFAOYSA-N 369.333 2.234 5 50 FEBA O=C(CCc1ccccc1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1857526841 ZCLBGUVJXYBNMN-HOTGVXAUSA-N 367.405 2.335 5 50 FEBA Cc1cccc2[nH]cc(CC(=O)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c12 171479482 KGIHYKJQHUFIHS-UHFFFAOYSA-N 373.390 2.432 5 50 FEBA Cc1cc(NC(=O)CN2CCC(O)CC2)nc2c1c(=O)oc1ccccc12 6472049 ZYVXKFXEVMONML-UHFFFAOYSA-N 367.405 2.045 5 50 FEBA CC(C)C[C@@H](CN)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F 225478196 ZVFDHCJUPZSYCF-VIFPVBQESA-N 369.365 2.265 5 50 FEBA CCN1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@@H]1C 408334655 BRHGNJIDGMPGGI-UONOGXRCSA-N 355.460 2.315 5 50 FEBA CCOc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC 1074895 KRRBMLDLDVJQPZ-ZWNOBZJWSA-N 373.203 2.453 5 50 FEBA O=C(NCc1ccco1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1106997 GZVBNEQGJFQGCW-UHFFFAOYSA-N 357.366 2.356 5 50 FEBA COc1ccccc1N1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 1115808 DFWDHWXKQJYOGK-UHFFFAOYSA-N 371.393 2.331 5 50 FEBA CN(C)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 2957471 BXYDVWIAGDJBEC-UHFFFAOYSA-N 360.417 2.292 5 50 FEBA in-vitro CCOC(=O)N1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 4268029 HEHMWLUHNLTTCU-UHFFFAOYSA-N 367.427 2.129 5 50 FEBA CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 844420 UQEBYDDLNFUSJZ-LLVKDONJSA-N 359.260 2.328 5 50 FEBA Cc1ccccc1N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O 4974111 MLKRKPPFPNLNFT-UHFFFAOYSA-N 363.395 2.308 5 50 FEBA Cc1cc(NCC(=O)Nc2ccn(C)n2)nc(-c2cccc([N+](=O)[O-])c2)n1 253430308 QHAUHRAPQHCGOW-UHFFFAOYSA-N 367.369 2.144 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1ccccn1 19849910 BILNGAYPGRFDRP-UHFFFAOYSA-N 360.439 2.255 5 50 FEBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCCCN3C[C@H]2C)c1C 252476984 GABPDSDHKCOFNM-HIFRSBDPSA-N 367.471 2.459 5 50 FEBA Cc1cc(S(=O)(=O)N2[C@H](C(=O)O)CCC2(C)C)cc([N+](=O)[O-])c1C 240333257 FCMJQFFAMDFWMO-LBPRGKRZSA-N 356.400 2.228 5 50 FEBA O=C(Cn1cnc2sc3c(c2c1=O)CCC3)Nc1ccc([N+](=O)[O-])cc1 4546232 FMYOHGGEDCVMNW-UHFFFAOYSA-N 370.390 2.494 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1N1CCOCC1 7055364 VRWGUCDNUGRBTA-UHFFFAOYSA-N 363.395 2.232 5 50 FEBA O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCOCO1 154499723 NHHKVVNMTHGSDE-AWEZNQCLSA-N 352.390 2.034 5 50 FEBA O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 1115630 VMZWADNDNRELMW-UHFFFAOYSA-N 359.357 2.462 5 50 FEBA Cc1cc([N+](=O)[O-])ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 4703648 FDLCNMSCUSSBKD-UHFFFAOYSA-N 361.423 2.414 5 50 FEBA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2[N+](=O)[O-])cc1 5059388 VGGCEKOJOSPFSC-UHFFFAOYSA-N 363.395 2.162 5 50 FEBA O=C(O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 4580688 YKBXSLTXFRTIJJ-CQSZACIVSA-N 368.342 2.228 5 50 FEBA O=C(O)c1cccnc1S[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 4278650 WZBLSPDCFLPTIQ-LBPRGKRZSA-N 373.346 2.112 5 50 FEBA CN(C)[C@H]1CCC[C@@H]1Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 170603351 IDDHWOVBPJOLTO-JQWIXIFHSA-N 363.386 2.486 5 50 FEBA C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 240412862 FOKNPJBIPBNRMB-VBHSOAQHSA-N 373.413 2.163 5 50 FEBA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 2082100 UMXRTMBQRKLMLA-OAHLLOKOSA-N 363.370 2.145 5 50 FEBA O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 828331 UASDNLRYWOEUCM-AWEZNQCLSA-N 368.345 2.374 5 50 FEBA O=c1[nH]c(O)nc(/C=C/c2cc(Br)ccc2O)c1[N+](=O)[O-] 3898358 DVPCHIHYYCWWSD-HNQUOIGGSA-N 354.116 2.022 5 50 FEBA COC(=O)c1cc(C(=O)NCc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 1179576 WVNFQGQZNJWQDI-UHFFFAOYSA-N 358.306 2.040 5 50 FEBA CC1(C)C[C@@H](CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1 4919621 ORTJRBCICRYFRO-SECBINFHSA-N 351.384 2.140 5 50 FEBA O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc([N+](=O)[O-])cc1 16958484 GZYULMYLNIYBDH-CQSZACIVSA-N 370.277 2.068 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 4141151 FJJIQBMSVJEXLQ-OAHLLOKOSA-N 363.370 2.191 5 50 FEBA COc1cc([N+](=O)[O-])cc2cc(C(=O)NCc3cccnc3)c(=O)oc12 6659153 HAAVPENYMAABHD-UHFFFAOYSA-N 355.306 2.035 5 50 FEBA CC1(c2cc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)[nH]n2)CC1 170599065 OVOFKQZJVGPOIH-UHFFFAOYSA-N 355.398 2.332 5 50 FEBA O=C(CN1CCN(c2ccccc2F)CC1)Nc1cccc([N+](=O)[O-])c1 52537443 HZXWIUKBVNWHOE-UHFFFAOYSA-N 358.373 2.495 5 50 FEBA Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c1 460771887 PFAVGRPFYVKRGY-UHFFFAOYSA-N 368.349 2.207 5 50 FEBA CCOc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1124075 YNHCMHHUSRAETA-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cc([N+](=O)[O-])cn1 4686742 RCQQPRORVSFHFR-MRVPVSSYSA-N 363.399 2.030 5 50 FEBA CCCNC(=O)Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O 1887429 DLWWQNCETLSUFD-UHFFFAOYSA-N 366.377 2.498 5 50 FEBA COc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 850462 REEKBSVKKTZPQN-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA COCCSc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 2865417 LPLGNCFAQKGPKW-UHFFFAOYSA-N 370.412 2.446 5 50 FEBA CN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 4983498 BIFRVEGQCSZCMO-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA O=C1C[C@@H]2OCC=C3C[N@+]4([O-])CC[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]64 247288825 ADTDBAKUQAKBGZ-JMLXRNSASA-N 350.418 2.105 5 50 FEBA in-vitro COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C 2081417 LDOYCIDBUXMHGQ-UHFFFAOYSA-N 363.351 2.103 5 50 FEBA O=C(O)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5020944 NDBROMODXPTBHM-AWEZNQCLSA-N 350.352 2.089 5 50 FEBA CC[C@](NC(=O)c1ccc(Br)c([N+](=O)[O-])c1)(C(N)=O)C(C)C 182527885 RJIIIIGUJQTPLP-CQSZACIVSA-N 372.219 2.377 5 50 FEBA COc1cc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc(OC)c1 4758847 VALYAUXXMQOVDK-UHFFFAOYSA-N 357.326 2.175 5 50 FEBA N=C1Nc2nc3ccccc3n2[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1 1060995 VNBLHBCVIWQMNS-AWEZNQCLSA-N 352.310 2.170 5 50 FEBA O=C(O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 187918 MBSNNYACNFXHKA-AWEZNQCLSA-N 350.352 2.089 5 50 FEBA COc1coc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1=O 253630133 KYJZAJISIAOYNS-UHFFFAOYSA-N 356.237 2.410 5 50 FEBA C[C@@H](Nc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1[N+](=O)[O-])c1ccccn1 170592834 MJMBOMLYLCTACM-VXGBXAGGSA-N 371.397 2.109 5 50 FEBA COC(=O)C[C@H](c1cccc([N+](=O)[O-])c1)c1c(O)n2ccccc2nc1=O 205968681 SLYRZFDOEWJXEH-CYBMUJFWSA-N 369.333 2.003 5 50 FEBA Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])s1 1463178147 XLKDRGMCGDYNLB-APPZFPTMSA-N 374.362 2.041 5 50 FEBA COc1ccccc1OCC(=O)N[C@@H](CC(=O)O)c1cccc([N+](=O)[O-])c1 3623483 XXENMXLQLIPUSB-AWEZNQCLSA-N 374.349 2.314 5 50 FEBA CCN1C[C@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C 408334654 BRHGNJIDGMPGGI-KGLIPLIRSA-N 355.460 2.315 5 50 FEBA O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3)CC2)cc1 19813144 YUCVJMDCNFAFMN-SFHVURJKSA-N 357.410 2.157 5 50 FEBA COc1c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cccc1[N+](=O)[O-] 476539247 RGIGGJFDLUOZTQ-CYBMUJFWSA-N 369.377 2.418 5 50 FEBA Cc1ccccc1Cn1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 2782190 MAWXLTHDFDPCNC-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@@]2(CCO[C@@H]2C)O1 240412861 FOKNPJBIPBNRMB-SNUQEOBHSA-N 373.413 2.163 5 50 FEBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1F 943325 HNXDCWGQGMHUOL-UHFFFAOYSA-N 357.297 2.359 5 50 FEBA COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2C(=O)O)c([N+](=O)[O-])c1 4013028 IMDSHRNQNZPNKS-UHFFFAOYSA-N 361.266 2.462 5 50 FEBA CCn1ncc(Cl)c1CN(C)C(=O)CCn1ncc([N+](=O)[O-])c1C 2802613 CNLBYXIXSKKNMM-UHFFFAOYSA-N 354.798 2.018 5 50 FEBA CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=O 230019159 DODVQIAPPKTATQ-LPHOPBHVSA-N 372.425 2.410 5 50 FEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1 4676946 OPVZMZNECJGTHO-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA Cc1n[nH]c(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)n1 40286921 MOSZDHOHZIHKKZ-UHFFFAOYSA-N 364.409 2.173 5 50 FEBA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5059585 FHKIAWVQIPJBMC-UHFFFAOYSA-N 363.395 2.162 5 50 FEBA CCCC[N@+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 252509013 YBCNXCRZPWQOBR-JDOORYAZSA-N 360.474 2.233 5 50 FEBA biogenic,in-vitro COc1ccc2oc(=O)c(C(=O)OCCn3c([N+](=O)[O-])cnc3C)cc2c1 4626102 KMWMXSDHPMIBIL-UHFFFAOYSA-N 373.321 2.072 5 50 FEBA COc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-] 4980371 BMNUNVGLLCJZAW-UHFFFAOYSA-N 352.324 2.102 5 50 FEBA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5683602 FUSDCBMQCBLEAB-LBPRGKRZSA-N 363.395 2.209 5 50 FEBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc(C(=O)O)cc(C(=O)O)c1 2979200 ULYRGXGHGRCCCT-UHFFFAOYSA-N 360.278 2.009 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1C[C@H]1CCCO1 38829116 GRSHXDITRTXOPQ-OAHLLOKOSA-N 374.400 2.275 5 50 FEBA O=c1[nH]c(O)nc(/C=C/c2cc(Br)ccc2F)c1[N+](=O)[O-] 4810955 NBIJLQDSIURNNW-DAFODLJHSA-N 356.107 2.456 5 50 FEBA NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1187997 RYNWTIXQTVFOEO-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n([C@@H](C)CC)c1=N 100628098 MFGNACJBQKZHGH-LBPRGKRZSA-N 353.426 2.158 5 50 FEBA CS(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 4192443 JROAHKOQPJADEQ-UHFFFAOYSA-N 361.423 2.325 5 50 FEBA COc1cc(N2CCC[C@@H]([C@@H](O)c3nccn3C)C2)c(F)cc1[N+](=O)[O-] 271095091 MGTFNZNFHTUKKD-BDJLRTHQSA-N 364.377 2.426 5 50 FEBA Cc1nn(C)c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1Cl 5587162 BYOZIWMVEULKMV-UHFFFAOYSA-N 353.791 2.417 5 50 FEBA COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5028156 ZBPCGHNRSXTSDU-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA O=C(O)C[C@@H]1OCC=C2C[N@+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@H]1[C@H]2C[C@H]53 247391967 LKMZZBZFIQDLES-ZQRQUAGVSA-N 368.433 2.255 5 50 FEBA COC(=O)c1ccc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1 1204783 FCSOCPYTXAORMG-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA O=C(c1ccco1)N1CCN(C(=S)Nc2cccc([N+](=O)[O-])c2)CC1 1117999 BKLIWSVFCJJQLN-UHFFFAOYSA-N 360.395 2.343 5 50 FEBA COc1ccc2c(c1)[C@H](N)CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1 170615013 DZYWYKZZHMWKAA-OAHLLOKOSA-N 363.395 2.202 5 50 FEBA COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)cc1Br 718773 FWYZKWZWVRHMPG-NOZJJQNGSA-N 359.176 2.063 5 50 FEBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 805348 PYJJWZVDYMGMCT-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA COCCNc1ccc(C(=O)NC[C@H](CO)CC(C)C)cc1[N+](=O)[O-] 225429790 OJQWMUHXRMPESM-CYBMUJFWSA-N 353.419 2.038 5 50 FEBA CC(=O)N/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 1152472 FYTFMPVGUIWRLK-CXUHLZMHSA-N 369.333 2.409 5 50 FEBA Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1838312 BYZZNOWOJNLESS-UHFFFAOYSA-N 356.334 2.059 5 50 FEBA CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1 5012056 XNHNIBYFOWSTQS-WJDWOHSUSA-N 355.350 2.120 5 50 FEBA CCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H](CC)[C@H]2O)[C@H]3[C@H]5O 252441404 UAUHEPXILIZYCU-TUOLCLISSA-N 369.529 2.479 5 50 FEBA O=C(Cc1cccs1)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 827977152 IFMJMHCQDNKBOR-NWDGAFQWSA-N 359.407 2.006 5 50 FEBA biogenic O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN(c2ncncc2Cl)CC1 225384617 XUOZIKRFDMMABG-UHFFFAOYSA-N 365.752 2.140 5 50 FEBA O=C(Nn1cc([N+](=O)[O-])cn1)c1cc2nccc(-c3ccc(F)cc3)n2n1 6926590 OORPNBKIJFBSBV-UHFFFAOYSA-N 367.300 2.024 5 50 FEBA O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(-c3cccs3)nn12 4483670 NPZYTBOTBJAKQW-WQLSENKSSA-N 356.388 2.335 5 50 FEBA COc1c([N+](=O)[O-])cc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1OC 754152 WQFGCUVQARICPQ-UHFFFAOYSA-N 363.370 2.054 5 50 FEBA CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 1135362 FXCZYEASYBCFHA-UHFFFAOYSA-N 367.358 2.139 5 50 FEBA Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc3nncn3c2)cccc1[N+](=O)[O-] 725931283 VAAXICAFAYBMNL-LLVKDONJSA-N 369.337 2.130 5 50 FEBA Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 101322444 JJDXFQYTEGVSCN-SYWGBEHUSA-N 371.393 2.263 5 50 FEBA CCCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 5102322 KXKFZAZECOHCKS-CQSZACIVSA-N 365.411 2.349 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 4757089 LSBPYNCQXJBSCD-UHFFFAOYSA-N 365.367 2.227 5 50 FEBA CC(C)c1[nH]nc(C(=O)N2CC(C)(C)O[C@]3(CCCOC3)C2)c1[N+](=O)[O-] 408347512 SNLOQVQKNUEELX-QGZVFWFLSA-N 366.418 2.242 5 50 FEBA CC1=NN(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)[C@](O)(C(F)(F)F)C1 6394370 ZXCFRGUOAKYJAF-TVQRCGJNSA-N 361.276 2.221 5 50 FEBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 1189425 MSHYVLGLCHUGOE-UHFFFAOYSA-N 372.333 2.349 5 50 FEBA CCn1nccc1CN(C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] 225649258 XLNCDSWKQUEHQC-UHFFFAOYSA-N 374.369 2.444 5 50 FEBA CCCC1=C(C(=O)OCC)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1 35358008 PRGJGMGVHORJTL-AWEZNQCLSA-N 365.411 2.437 5 50 FEBA CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@@H]5O)[N@@+]3(CC)[C@@H]1O 252460853 IPJIEDBVLQTGNW-VFGBTGKVSA-N 355.502 2.089 5 50 FEBA biogenic C[C@H](NC(=O)Cn1cc(Br)c([N+](=O)[O-])n1)c1ccccc1 1125771 UDIGCBSGXHXBJY-VIFPVBQESA-N 353.176 2.431 5 50 FEBA Cc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 55526898 FYURIJKPFDWVIL-UHFFFAOYSA-N 367.793 2.141 5 50 FEBA CCCC[N@+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 242723022 YBCNXCRZPWQOBR-IPRPDCQNSA-N 360.474 2.233 5 50 FEBA in-vitro Cc1noc(/C=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1[N+](=O)[O-] 6759757 MXCAYFQZRMZHTC-QPJJXVBHSA-N 373.365 2.299 5 50 FEBA CN(C)c1nc(N)nc(CSc2nc(-c3ccc([N+](=O)[O-])cc3)c[nH]2)n1 2877027 NUPNJQYRJBUWCT-UHFFFAOYSA-N 372.414 2.110 5 50 FEBA Cc1cccc(Cn2cnc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 2804314 ALXXLALVGMDYHL-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCCc1ccccc1 19842855 LIRZLCMFCJTNJL-UHFFFAOYSA-N 370.453 2.364 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc21 1069213 JPHDYFSQULZFGT-UHFFFAOYSA-N 365.187 2.452 5 50 FEBA CNS(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F 2325848526 IOPYKUWIHBOABE-UHFFFAOYSA-N 368.346 2.286 5 50 FEBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(F)cc1 54531716 PNEZTOIEZJTGNV-UHFFFAOYSA-N 358.373 2.495 5 50 FEBA CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCN(Cc2cccnc2)CC1 241965673 UUXVZAUQZYFYBP-UHFFFAOYSA-N 370.409 2.347 5 50 FEBA CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)N2CCC[C@@H]12 15023087 NYPNDGMZDCMCRO-IAISJRAMSA-N 359.382 2.098 5 50 FEBA COc1cccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3O)CC2)c1 130269503 JBFGGBDKIYBLQW-UHFFFAOYSA-N 357.366 2.271 5 50 FEBA O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1Cc2ccccc2O1 175994176 JZEOEXGAYDBFHJ-AWEZNQCLSA-N 351.322 2.322 5 50 FEBA O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@H]1CCc2cc(F)ccc21 303031181 UFXZTMVDSCZRNL-AWEZNQCLSA-N 371.324 2.446 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(C)(=O)=O 2849284 XVOIBLYYQHYHDZ-UHFFFAOYSA-N 369.443 2.436 5 50 FEBA O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 893166 XPYMUWHOVBTJJC-UHFFFAOYSA-N 357.341 2.332 5 50 FEBA CC(C)OCC(=O)NN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 4528553 DBFTVUIDFRMXBR-KPKJPENVSA-N 365.367 2.087 5 50 FEBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccco1 4104346 XFGWAKKIBBTYIB-UHFFFAOYSA-N 360.395 2.025 5 50 FEBA O=C1C[C@@H](N2CCc3ccccc3C2)C(=O)N1c1ccc([N+](=O)[O-])cc1 18275876 DCLRQEYOQACJGG-QGZVFWFLSA-N 351.362 2.285 5 50 FEBA O=c1n(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)nnn1-c1cccs1 1875253877 OKHZQNFQGDSIJQ-UHFFFAOYSA-N 370.350 2.102 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 4833442 ZQBYWQHWWQOLSQ-UHFFFAOYSA-N 365.367 2.363 5 50 FEBA Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 1138552 POQYZFLYWQQCTF-UHFFFAOYSA-N 363.395 2.308 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1 2851213 GJXFUWCZEULFFI-UHFFFAOYSA-N 366.424 2.360 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4141157 URZIMGXQAUOWGM-HNNXBMFYSA-N 363.370 2.191 5 50 FEBA O=c1ccn(Cc2ccc(Br)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 170591319 GLBYPGSHCZJTNA-UHFFFAOYSA-N 354.116 2.476 5 50 FEBA C[C@@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 272195837 OLJBHFPPCJCQKK-LBPRGKRZSA-N 353.394 2.301 5 50 FEBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] 247862190 WMSDOXTWIYFIIX-BJJXKVORSA-N 361.398 2.339 5 50 FEBA COc1ccc(OC)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c1 5034177 JXEWLHGLPHTVMZ-UHFFFAOYSA-N 363.351 2.199 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C2CCCCC2)CC1 36056120 ZIWIGEFKOAGIKT-UHFFFAOYSA-N 353.444 2.234 5 50 FEBA C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N=C(O)N=C3O)[C@H]2C1 245329480 ZLLQOFBTQIIREK-NOZJJQNGSA-N 358.354 2.153 5 50 FEBA O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N[C@@H]1CCc2cc(F)ccc21 303031182 UFXZTMVDSCZRNL-CQSZACIVSA-N 371.324 2.446 5 50 FEBA O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 2871045 AWJXIDDLEVOAIJ-UHFFFAOYSA-N 356.338 2.465 5 50 FEBA O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCN(c2ccccc2)CC1 4674095 WYPAPJUZTDQHCB-UHFFFAOYSA-N 367.453 2.331 5 50 FEBA 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FEBA CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)N2CCC[C@H]12 36044361 NYPNDGMZDCMCRO-RVZJWNSFSA-N 359.382 2.098 5 50 FEBA COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1Br 16275828 VJXGMZRCLDQNHU-HWKANZROSA-N 368.143 2.325 5 50 FEBA Cc1ccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 101696416 JJDXFQYTEGVSCN-IYVPYFHTSA-N 371.393 2.263 5 50 FEBA NC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4247044 SFGQWHVONGJCQL-RTLPCREESA-N 357.410 2.395 5 50 FEBA CCOC(=O)N1CCC(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 4007826 OSPFMRBZPWEIBP-UHFFFAOYSA-N 362.430 2.338 5 50 FEBA COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 1162270 BDRNJAWSRNNZCJ-SFHVURJKSA-N 356.334 2.040 5 50 FEBA Cc1cc(Br)cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])c1O 4173476 OJONMIMHCSATCE-NSCUHMNNSA-N 368.143 2.331 5 50 FEBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 29411451 WXDHETYREQPFEV-UHFFFAOYSA-N 365.386 2.439 5 50 FEBA CN1CCN(c2ccc(C(=O)c3ccccc3C(=O)O)cc2[N+](=O)[O-])CC1 72190700 PEMYYMJRUFTHIB-UHFFFAOYSA-N 369.377 2.276 5 50 FEBA Cc1cc(OCC(=O)N2CCOCC2)cc2oc(=O)c3ccccc3c12 1128618 ZFVOXRCCHUXZAM-UHFFFAOYSA-N 353.374 2.492 5 50 FEBA COc1ccccc1C(=O)NCCc1nc2cc([N+](=O)[O-])ccc2n1C 5342737 QBNWLWXFCZNCQP-UHFFFAOYSA-N 354.366 2.463 5 50 FEBA O=c1[nH]c(O)nc(/C=C/c2ccc(O)c(Br)c2)c1[N+](=O)[O-] 15009209 UCKWOQZFDRKOMP-HNQUOIGGSA-N 354.116 2.022 5 50 FEBA Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCc1ccccc1N1CCOCC1 170618698 LMWLPHBFFOQZAX-UHFFFAOYSA-N 374.372 2.083 5 50 FEBA COc1c(C(=O)OCc2nc(N)c3ccccc3n2)cccc1[N+](=O)[O-] 796310844 UFWYERZNQRXKTE-UHFFFAOYSA-N 354.322 2.486 5 50 FEBA O=C1NC(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]12 135682395 WHAJACOXPHJQHR-SOUVJXGZSA-N 373.752 2.382 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1nnc(O)o1 328596251 YZEWJDCRTGRKMV-UHFFFAOYSA-N 362.323 2.151 5 50 FEBA CCCC[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21 100324425 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2.221 5 50 FEBA O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 286421560 VKVCAGYIHSRGPY-KCJUWKMLSA-N 372.303 2.104 5 50 FEBA COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2831272 BDWRHHADIGLFLL-OAHLLOKOSA-N 373.321 2.017 5 50 FEBA CC1=NN(C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 6394881 ZXCFRGUOAKYJAF-RNCFNFMXSA-N 361.276 2.221 5 50 FEBA O=C(CSc1ccc([N+](=O)[O-])cn1)N1CCN(c2ccccc2)CC1 6457375 ZXUQUTKXANKELK-UHFFFAOYSA-N 358.423 2.431 5 50 FEBA COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OS(C)(=O)=O 2534602 FERFUTRDNGHYSQ-UHFFFAOYSA-N 351.427 2.420 5 50 FEBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccc([N+](=O)[O-])cc1 71767328 HABSPHWJOOTNNJ-SQFISAMPSA-N 351.344 2.045 5 50 FEBA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c([N+](=O)[O-])c1 4834404 UCRCOKKTPGAZQT-UHFFFAOYSA-N 363.395 2.162 5 50 FEBA CN(C)CCCNC(=O)c1ccc2sc3cc(=O)c(N)cc-3nc2c1 5508982 WLKVABKFEZLNDH-UHFFFAOYSA-N 356.451 2.025 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1[C@@H](C)C(=O)NCc1cccnc1 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O=C(O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 187915 MBSNNYACNFXHKA-CQSZACIVSA-N 350.352 2.089 5 50 FEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@@H]2COCC[C@H]21 230127296 PRYDPFCTMGXDTE-HUUCEWRRSA-N 351.428 2.048 5 50 FEBA COc1ccc(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])c([N+](=O)[O-])c1 15637172 LDVDNDWOKNWEDX-UHFFFAOYSA-N 361.266 2.462 5 50 FEBA Cn1nc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O 4140752 RADBLFFEFMQSKV-UHFFFAOYSA-N 366.377 2.345 5 50 FEBA CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 131615004 IGPVPYWHMZRMIT-ZDUSSCGKSA-N 360.395 2.058 5 50 FEBA O=C1N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc([N+](=O)[O-])c1 1057764 DLAFJJAYHSMLJE-HOTGVXAUSA-N 373.390 2.207 5 50 FEBA O=c1[nH]c(O)nc(/C=C/c2ccc(F)c(Br)c2)c1[N+](=O)[O-] 15009206 CCAODUBCHJOUIE-DUXPYHPUSA-N 356.107 2.456 5 50 FEBA CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)c([N+](=O)[O-])c1 955818 QCVGWYUNLAQPDP-AWEZNQCLSA-N 359.342 2.047 5 50 FEBA CC(=O)Nc1nnc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)s1 9088078 OGRXNCZLLWPENA-UHFFFAOYSA-N 371.375 2.275 5 50 FEBA NC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4247045 SFGQWHVONGJCQL-FVTZREDMSA-N 357.410 2.395 5 50 FEBA CC(C)c1cc(CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc23)on1 114557397 HAQBQZHWVIGPDE-UHFFFAOYSA-N 356.338 2.478 5 50 FEBA O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(C2CC2)C[C@@]1(O)C(F)(F)F 4178866 HEYGJZZOLIXJPR-CQSZACIVSA-N 357.288 2.387 5 50 FEBA O=C(NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O)c1cccnc1 4409558 BTQYPSNWPIQTIJ-UHFFFAOYSA-N 352.759 2.476 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913674 KDGMPIROECTBJA-CQSZACIVSA-N 362.382 2.441 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1cccnc1 1069668 XARPXQHLXBDUIB-SECBINFHSA-N 368.191 2.135 5 50 FEBA CN(C(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)c1ccccc1 225490246 DVYAGBXZXVTNPU-AWEZNQCLSA-N 369.377 2.426 5 50 FEBA CCCC[N@@+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 256918498 YBCNXCRZPWQOBR-FDVKURQKSA-N 360.474 2.233 5 50 FEBA CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CCC2(CC1)OCCO2 170632577 SKXYFZHEJDGLDP-UHFFFAOYSA-N 354.334 2.254 5 50 FEBA C[C@H](NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 13511699 NNUQEVKCLAMJAN-OHNRDTAOSA-N 374.393 2.153 5 50 FEBA Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1150078 HGHVIUPTEOWCMS-UHFFFAOYSA-N 363.395 2.162 5 50 FEBA COc1ccccc1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4893466 HGLBSKFCVOJIRH-UHFFFAOYSA-N 371.393 2.331 5 50 FEBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccn2)N[C@H](c2ccccn2)[C@@H]1[N+](=O)[O-] 12402020 PDCGKLLRCGMRSP-SYMSYNOKSA-N 357.370 2.179 5 50 FEBA COCc1c(C(=O)OC)nnn1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1085877 VTOIAHFMPUTWPD-UHFFFAOYSA-N 360.248 2.127 5 50 FEBA NC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1 1401067 BNOAWLIFSMFBFI-UHFFFAOYSA-N 354.771 2.321 5 50 FEBA O=[N+]([O-])c1ccc(Nc2ccc(O)c(S(=O)(=O)O)c2)c([N+](=O)[O-])c1 4822094 CQTYKXPSTQLSOZ-UHFFFAOYSA-N 355.284 2.199 5 50 FEBA Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1cccc2ccccc12 679622 GJGLHGVCTLNDNY-UHFFFAOYSA-N 354.355 2.003 5 50 FEBA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1456562 YJJBBEODOJGPRF-UHFFFAOYSA-N 358.350 2.270 5 50 FEBA COc1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 947087 WSYGWGVDWHZQPW-UHFFFAOYSA-N 360.366 2.350 5 50 FEBA biogenic CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 253424726 KGQPYGFPDAYQLI-GMXVVIOVSA-N 367.427 2.268 5 50 FEBA O=[N+]([O-])c1c(N2CCOCC2)cc(Nc2ccccc2O)c2nonc12 3879044 RFNLILXGJABOMB-UHFFFAOYSA-N 357.326 2.417 5 50 FEBA O=C(CCn1nnc2ccccc21)OCC(=O)c1ccc([N+](=O)[O-])cc1 4311320 SFAGLVNNSWJJMX-UHFFFAOYSA-N 354.322 2.156 5 50 FEBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCOCC2)cc1 2906495 XMBBWSBKBTZWCL-UHFFFAOYSA-N 357.366 2.449 5 50 FEBA CCn1cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)cn1 2776418 JFAQMNLMFKFARQ-UHFFFAOYSA-N 369.790 2.297 5 50 FEBA C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(C)(=O)=O 4687381 RIQBFDIAGASXHZ-VIFPVBQESA-N 367.349 2.084 5 50 FEBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCS[C@H]2COCC[C@H]21 230127303 PRYDPFCTMGXDTE-CABCVRRESA-N 351.428 2.048 5 50 FEBA CCC(=O)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 3998694 NGMHBBSOPVLMML-UHFFFAOYSA-N 350.394 2.393 5 50 FEBA COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc(Br)c1OC 2459178 UXKRIFRARWHSDM-JOYOIKCWSA-N 359.176 2.063 5 50 FEBA COc1cc(CN2CCN(C(=O)CC(C)C)CC2)c([N+](=O)[O-])cc1OC 19782420 RHXFUYWIBURVLY-UHFFFAOYSA-N 365.430 2.302 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 2869970 ONGLYCZBWVPEMD-UHFFFAOYSA-N 374.357 2.440 5 50 FEBA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc([N+](=O)[O-])c1 5050385 DLAFJJAYHSMLJE-CVEARBPZSA-N 373.390 2.207 5 50 FEBA COC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 1053026 ZQWQYZAASRENRV-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)CCc1scnc1C 1875266184 SRJVAFOBQODJCQ-UHFFFAOYSA-N 369.424 2.106 5 50 FEBA COc1c([N+](=O)[O-])cc(Br)nc1I 675050719 QHHZFZSXWLAWRH-UHFFFAOYSA-N 358.917 2.366 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1O 9235078 YHCHGNUEZAKURZ-UHFFFAOYSA-N 372.366 2.007 5 50 FEBA Cc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] 2853770 DYZVGVKYRUROMX-UHFFFAOYSA-N 350.352 2.475 5 50 FEBA CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(Cc1ccco1)C2=O 4776479 BHPAXMHFJLGIJS-INIZCTEOSA-N 368.349 2.180 5 50 FEBA Cn1c(=O)c2cn3c4ccccc4nc(-c4cccnc4)c3c2n(C)c1=O 804800 QXAMVNYUDVNDMM-UHFFFAOYSA-N 357.373 2.100 5 50 FEBA C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O 1147548 LKCZCUXRQCDGKI-LBPRGKRZSA-N 363.395 2.388 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 939384 IPSZZYXHAOQNRB-UHFFFAOYSA-N 356.367 2.301 5 50 FEBA CCOc1c(Br)cc([C@@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])cc1OC 2459183 SKJQOHGNTLIWTN-GWCFXTLKSA-N 373.203 2.453 5 50 FEBA O=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 225422821 FVVVGDQIPHGXSY-SNVBAGLBSA-N 371.319 2.137 5 50 FEBA COc1ccccc1N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 4117044 TYCJLJSGBJJPHF-UHFFFAOYSA-N 355.394 2.495 5 50 FEBA COc1ccc(OC)c(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c1 4179510 YTYOKOQBOIZVPC-UHFFFAOYSA-N 363.351 2.173 5 50 FEBA Cn1ncc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1C(=O)NCc1ccco1 2795379 CXPGMOHYHYDXHG-UHFFFAOYSA-N 369.337 2.104 5 50 FEBA CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 72319830 LWONAYYXJOZYRR-UHFFFAOYSA-N 353.350 2.427 5 50 FEBA COc1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4957262 PWXVGOWFIXWOOH-UHFFFAOYSA-N 366.395 2.133 5 50 FEBA COC(=O)COc1cc(OCC(=O)OC)c2c(c1)oc(=O)c1ccccc12 627651 UBBASPITOLVCEV-UHFFFAOYSA-N 372.329 2.050 5 50 FEBA biogenic COC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)c1=N 100627175 FEJVXZFZIBZSMW-UHFFFAOYSA-N 374.400 2.158 5 50 FEBA CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2988971 IYPAORCAGPIWBY-KRWDZBQOSA-N 370.361 2.068 5 50 FEBA O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)c2c(O)nc(N3CCCC3)nc2N1 828323366 ODAWDYQDILGRBN-LBPRGKRZSA-N 355.354 2.165 5 50 FEBA Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 4794918 GFYBYEMGYPXBPD-UHFFFAOYSA-N 350.356 2.195 5 50 FEBA Nc1ccc(NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 819899915 WMWLFGXOPXOZPX-ZDUSSCGKSA-N 358.329 2.308 5 50 FEBA O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C[C@H]2CCOC2)CC1 225850941 UHAIHMAJISJXKZ-GFCCVEGCSA-N 368.821 2.434 5 50 FEBA Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 5683002 IUNTUFITWFLIQR-UHFFFAOYSA-N 363.395 2.210 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1 19313937 JOPFADCZHBMVDM-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA CC(=O)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 4842380 AGIZLOIHSUFCRW-UHFFFAOYSA-N 369.377 2.483 5 50 FEBA Cn1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)NCc2ccco2)n1 2795628 HQRPYDLEEVBAPI-UHFFFAOYSA-N 369.337 2.104 5 50 FEBA C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1cc([N+](=O)[O-])cn1 4686739 RCQQPRORVSFHFR-QMMMGPOBSA-N 363.399 2.030 5 50 FEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 19681842 UOZWCNOIZWZIPG-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA C[C@H](NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 245256091 NNUQEVKCLAMJAN-ZBQZNYHESA-N 374.393 2.153 5 50 FEBA Cc1cccc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)n1 5050647 VORYJEYDZYSFTO-UHFFFAOYSA-N 355.398 2.302 5 50 FEBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(F)(F)F)c[nH]1 225396932 UXONXPWHBXYSPZ-UHFFFAOYSA-N 366.277 2.146 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 4538963 BVIFGFYKILTURQ-UHFFFAOYSA-N 356.367 2.301 5 50 FEBA C=CC(=O)N1CCN(C(=O)Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 1875380858 CFHNYCBSWDOWGQ-NSHDSACASA-N 351.790 2.036 5 50 FEBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2ccco2)CC1 694605 IOFQWDYNTLOPPW-VOTSOKGWSA-N 355.350 2.186 5 50 FEBA Cc1ccccc1Cn1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 17076417 LXTYLSZHVNMZEO-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA COC(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(F)(F)F)n2)cc1 170596272 GJFLDZFKTBVUFE-UHFFFAOYSA-N 372.259 2.235 5 50 FEBA COc1cc([C@H]2NC(=O)CC[C@@H]2[N+](=O)[O-])c(OC)cc1Br 718771 FWYZKWZWVRHMPG-TVQRCGJNSA-N 359.176 2.063 5 50 FEBA O=C(c1cc(O)nc2ccc([N+](=O)[O-])cc12)N1CC[C@H]([C@H]2CCOC2)C1 378227958 NPUIMEFRYHJOMU-RYUDHWBXSA-N 357.366 2.347 5 50 FEBA O=C(CN1CCN2CCCC[C@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 242324354 ZANXALPXQAGQQA-ZDUSSCGKSA-N 352.822 2.357 5 50 FEBA CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2[N+](=O)[O-])c1 328595874 HYVFRYUZSKALBU-UHFFFAOYSA-N 366.351 2.493 5 50 FEBA CN1CCN(c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 4757645 STGFAAXUKSHGOP-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccc(C)c(OC)c1 4810908 PNZBHFMHAUZKHS-ZDUSSCGKSA-N 353.371 2.106 5 50 FEBA CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4845290 LWIRZGYYCCDONR-UHFFFAOYSA-N 368.301 2.141 5 50 FEBA O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(F)c([N+](=O)[O-])c1 52537751 UIGQULHEZSBRLQ-UHFFFAOYSA-N 358.373 2.495 5 50 FEBA CN(C)S(=O)(=O)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1 1875389539 RYFHSEHORWZXQF-UHFFFAOYSA-N 364.383 2.489 5 50 FEBA Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 4625597 NMICBRUISSCFDA-UHFFFAOYSA-N 371.397 2.365 5 50 FEBA NC1=Nc2nc3ccccc3n2[C@H](c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)N1 4623164 HITVIZWXLYECFD-MRXNPFEDSA-N 374.364 2.431 5 50 FEBA COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC 2459179 UXKRIFRARWHSDM-SKDRFNHKSA-N 359.176 2.063 5 50 FEBA COC(=O)c1c(NC(=O)Cn2ccc([N+](=O)[O-])n2)sc2c1CCCC2 1069384 FVIWAWXOCLFGQV-UHFFFAOYSA-N 364.383 2.157 5 50 FEBA CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1 4601601 OQUWEGCJYHXGNV-MRXNPFEDSA-N 371.349 2.499 5 50 FEBA CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12 3782807 RQTOOFIXOKYGAN-UHFFFAOYSA-N 371.345 2.477 5 50 FEBA fda COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(N)=O)c1C 2101767 RLGHZYYWDCELHZ-UHFFFAOYSA-N 363.351 2.103 5 50 FEBA C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)O[C@@H](C)C3)n2)C1 245225714 HCQZAMQVZJLDJY-RNJOBUHISA-N 364.450 2.063 5 50 FEBA CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 1162054 YLIUPMAYVGQWAQ-UHFFFAOYSA-N 361.379 2.305 5 50 FEBA COc1ccccc1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4046160 ZURWWOYAHFHQRR-UHFFFAOYSA-N 355.394 2.495 5 50 FEBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)Nc1ccccc1[N+](=O)[O-] 247862193 WMSDOXTWIYFIIX-XPKDYRNWSA-N 361.398 2.339 5 50 FEBA CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N@+]3(CC)[C@H]1O 252441157 IPJIEDBVLQTGNW-UEZJSFIESA-N 355.502 2.089 5 50 FEBA Cn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccn3)CC2)c2ccccc21 4814856 MVOLEFLUTAQRFH-UHFFFAOYSA-N 365.393 2.168 5 50 FEBA CCCCN(C(=O)CC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 25668339 QVHGJPNIFPTHQL-UHFFFAOYSA-N 373.387 2.450 5 50 FEBA CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N(C)C1=O 230019154 DODVQIAPPKTATQ-QFBILLFUSA-N 372.425 2.410 5 50 FEBA CCCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC 5102324 KXKFZAZECOHCKS-AWEZNQCLSA-N 365.411 2.349 5 50 FEBA CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)NCCCN1CCCC1=O 4750439 ZRTRIADVGABVTH-MRXNPFEDSA-N 363.414 2.189 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 2843370 IZQZMOLERYNIJY-UHFFFAOYSA-N 368.367 2.421 5 50 FEBA CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4090133 VIINMUUEYGBVJQ-UHFFFAOYSA-N 365.367 2.032 5 50 FEBA CC(=O)Oc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4046145 OYAVHOAXXXWOLO-UHFFFAOYSA-N 369.377 2.483 5 50 FEBA COc1cccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1130303 NKTVCJWEKAPSPH-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA Cc1nn(CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 2781926 BDWQAFOANZPZRI-UHFFFAOYSA-N 358.807 2.122 5 50 FEBA COc1ccc(C(=O)Nc2cc(C(=O)O)cc(C(=O)O)c2)cc1[N+](=O)[O-] 2368284 BKPZLRSAFCHSHF-UHFFFAOYSA-N 360.278 2.252 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 2843039 HWBHGGDKQPEUTK-UHFFFAOYSA-N 366.351 2.175 5 50 FEBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@@H]1OCCc2ccccc21 4996905 LUXPIWUVQHWOHJ-KXBFYZLASA-N 358.394 2.238 5 50 FEBA CC(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C1=O 245234371 ANHVUSZOMDZTPV-WUZBVLBZSA-N 369.381 2.179 5 50 FEBA O=C(c1ccc([N+](=O)[O-])cc1Br)N1CCc2[nH]ncc2C1 170635337 QKXKVMOCMBNSNU-UHFFFAOYSA-N 351.160 2.279 5 50 FEBA Cc1cc(C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 4263277 ZVIWAQMEFKAVPB-UHFFFAOYSA-N 364.379 2.419 5 50 FEBA CCOC(=O)c1cccc(N2CCC(N3CCCC3=O)CC2)c1[N+](=O)[O-] 170599619 XFFIIXDWVRPBGS-UHFFFAOYSA-N 361.398 2.363 5 50 FEBA CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@](O)(c2ccncc2)C1 879371 MHBGBYNWVRXHEA-SFHVURJKSA-N 354.366 2.376 5 50 FEBA NS(=O)(=O)c1ccc(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])cc1 4048178 ZZRFJIFJNVRWDG-UHFFFAOYSA-N 369.746 2.175 5 50 FEBA CCOC(=O)c1c(C)nn(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C 12860158 ZCVXDSYJAYDTSD-UHFFFAOYSA-N 367.383 2.130 5 50 FEBA CCOCCc1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 2875767 ADJRQRHZRVIOFY-UHFFFAOYSA-N 352.372 2.286 5 50 FEBA CCN(CC)C(=O)[C@H]1CCCN(Cc2cc(OC)c(O)c([N+](=O)[O-])c2)C1 4977907 LFDLSZPMOOMRAR-AWEZNQCLSA-N 365.430 2.389 5 50 FEBA Cc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 17075056 SKYKJNDOEUGNJR-UHFFFAOYSA-N 365.411 2.003 5 50 FEBA CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])C[C@H]1C(=O)O 169725313 HHHSXGDWRDBZOL-LBPRGKRZSA-N 369.349 2.244 5 50 FEBA Nc1c(C(=O)OCc2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c[n+]1[O-] 2023757 SHRFGKVLXMHORO-UHFFFAOYSA-N 366.333 2.229 5 50 FEBA CS(=O)(=O)N1CCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 1129066 WMDKOQMETRHJRO-UHFFFAOYSA-N 361.379 2.169 5 50 FEBA O=c1cccc2n1C[C@H]1C[C@H]2CN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)C1 100503888 WYEKOBCZNWPPDN-STQMWFEESA-N 369.377 2.105 5 50 FEBA NC(=O)[C@@H]1CN(c2ccnc3c([N+](=O)[O-])cccc23)C[C@H]1C(F)(F)F 420625665 XTMOWGXZKOQLPJ-NXEZZACHSA-N 354.288 2.243 5 50 FEBA O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(C[C@@H]2CCOC2)CC1 225850955 UHAIHMAJISJXKZ-LBPRGKRZSA-N 368.821 2.434 5 50 FEBA COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1 5027755 BMSDFWXIBZHEMY-OAHLLOKOSA-N 372.337 2.463 5 50 FEBA CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 16482956 MIADWOSPLXMZFN-LLVKDONJSA-N 369.805 2.462 5 50 FEBA CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1ccccc1 2866919 PTWHYHLZNDVDJU-UHFFFAOYSA-N 374.378 2.466 5 50 FEBA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1119487 BUPVGZMGQIXZMO-GFCCVEGCSA-N 363.395 2.209 5 50 FEBA C[C@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C)c1ccccc1 4856968 OSFMCKVTXCZYGY-NSHDSACASA-N 354.366 2.319 5 50 FEBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 1137247 MYHSOQRULVUYQM-UHFFFAOYSA-N 367.358 2.139 5 50 FEBA O=C(CSc1nnnn1-c1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 4810656 NTTPXMOZNOCTAM-UHFFFAOYSA-N 374.357 2.440 5 50 FEBA Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5683616 FUSDCBMQCBLEAB-GFCCVEGCSA-N 363.395 2.209 5 50 FEBA O=c1/c(=C/c2ccccc2)sc2nnc(-c3ccc([N+](=O)[O-])cc3)n12 677135 UIBDSZZGQAAVMK-UVTDQMKNSA-N 350.359 2.274 5 50 FEBA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 5618219 FGCPYFRODQTDPE-UHFFFAOYSA-N 369.786 2.456 5 50 FEBA C[C@H](NC[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1COc2ccccc2O1 4765161 NNUQEVKCLAMJAN-RFUYNDQBSA-N 374.393 2.153 5 50 FEBA C=CC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)C1 1875371177 ROEUTOZKAOBCIV-VIFPVBQESA-N 353.762 2.317 5 50 FEBA Cc1ccc([N+](=O)[O-])c(OCCOCCSc2nc(C)cc(=O)[nH]2)c1 8750550 PYGYRUOVDXUFAZ-UHFFFAOYSA-N 365.411 2.483 5 50 FEBA CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252462539 UAUHEPXILIZYCU-KOOTVNFASA-N 369.529 2.479 5 50 FEBA biogenic O=[N+]([O-])c1cnc(N[C@@H](CO)Cc2ccccn2)c(Br)c1 170610817 SDSYNDRYCZXYHJ-SNVBAGLBSA-N 353.176 2.163 5 50 FEBA C[C@@H](OC(=O)N[C@@]1(C(=O)O)CC[C@@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 98052543 SKBDCZAPZZBWJU-LYGAQUJYSA-N 366.326 2.090 5 50 FEBA in-vitro O=C(O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 821543189 CUTCFFMFSZBMAX-UHFFFAOYSA-N 355.350 2.255 5 50 FEBA CCn1nc(C)c(CN(C)C(=O)[C@H](C)Cn2nc([N+](=O)[O-])cc2C)c1C 2791394 VYSSYJAYXNXKJD-LLVKDONJSA-N 362.434 2.228 5 50 FEBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)cc1 2803941 ZNBIGCLIAXOICS-UHFFFAOYSA-N 359.367 2.035 5 50 FEBA CC(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@H]34)[C@H]2C1=O 245234367 ANHVUSZOMDZTPV-BWVIJFMTSA-N 369.381 2.179 5 50 FEBA COc1cc(F)c([N+](=O)[O-])c(N2CCC([C@H](O)c3ncc[nH]3)CC2)c1 170088710 UERDAEFCSLXCMO-HNNXBMFYSA-N 350.350 2.416 5 50 FEBA COc1ccccc1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 893210 SORUMJGXTAQPKC-UHFFFAOYSA-N 369.377 2.202 5 50 FEBA C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCN1S(C)(=O)=O 4687380 RIQBFDIAGASXHZ-SECBINFHSA-N 367.349 2.084 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 101418429 KJIHZFWTKWJZAM-CZPYZCIJSA-N 368.345 2.222 5 50 FEBA CCn1nc(C)c(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 14229697 MPWFLHQCAMJQHC-UHFFFAOYSA-N 352.416 2.249 5 50 FEBA O=C1CSC(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 334163472 UFDRFFBDWHCZCF-UHFFFAOYSA-N 370.818 2.023 5 50 FEBA O=[N+]([O-])c1ccc(OC[C@@H](O)CNC[C@@H]2OCCc3ccccc32)cc1 4350534 PAVLJSHQPCIAPU-LPHOPBHVSA-N 358.394 2.238 5 50 FEBA Cc1cccc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)n1 1430642 YHOGVTBWRLGGOV-UHFFFAOYSA-N 354.164 2.204 5 50 FEBA O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nnc(-c3ccccc3)n12 714514 FLQLFPONYNJGAF-UVTDQMKNSA-N 350.359 2.274 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 4117138 BFLZLXYSJKAUBN-UHFFFAOYSA-N 361.423 2.247 5 50 FEBA O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC[C@H]1OCCc2ccccc21 4996901 LUXPIWUVQHWOHJ-HNAYVOBHSA-N 358.394 2.238 5 50 FEBA CCOc1ccc(C(=O)NC(=S)NCc2cccnc2)cc1[N+](=O)[O-] 1173475 WSRGONNTIDXTJM-UHFFFAOYSA-N 360.395 2.193 5 50 FEBA COc1ccc(CCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 4701810 UYRHRDXLBFZQSZ-UHFFFAOYSA-N 350.396 2.433 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)CCn1cnc2ccccc2c1=O 4825564 XEHHMWHAKXWNQP-UHFFFAOYSA-N 368.349 2.342 5 50 FEBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccn2)N[C@@H](c2ccccn2)[C@H]1[N+](=O)[O-] 253387401 PDCGKLLRCGMRSP-CAOSSQGBSA-N 357.370 2.179 5 50 FEBA Cc1ccc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)o1 17075058 SAGLVTUYZJIWBE-UHFFFAOYSA-N 365.411 2.003 5 50 FEBA CCCCO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](O)[C@@H]1[N+](C)(C)C 101136346 ZHESEXKBFWPZMZ-XHYRXIGBSA-N 366.478 2.078 5 50 FEBA Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] 170591499 YDZDWYXSWQBOEA-WBMJQRKESA-N 367.358 2.054 5 50 FEBA CN(C)S(=O)(=O)c1cc2c(=O)nc3ccc(Cl)cn3c2cc1Cl 4776780 VZXBPBBBNSXMGO-UHFFFAOYSA-N 372.233 2.405 5 50 FEBA O=c1/c(=C/c2ccccc2F)sc2nc(-c3cccc([N+](=O)[O-])c3)nn12 1148750 WRDQIWOWDPPKKZ-ZROIWOOFSA-N 368.349 2.413 5 50 FEBA CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602024 WJYLZWAQFCTJKB-UHFFFAOYSA-N 352.416 2.330 5 50 FEBA COCCN1C(=O)c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 4832128 ARUGHPXGERPEDO-UHFFFAOYSA-N 354.318 2.068 5 50 FEBA CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@H]2[C@@H]5O)[N@+]3(CC)[C@@H]1O 252460851 IPJIEDBVLQTGNW-SPCIGJRLSA-N 355.502 2.089 5 50 FEBA biogenic C=CC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)C1 1875371176 ROEUTOZKAOBCIV-SECBINFHSA-N 353.762 2.317 5 50 FEBA O=C(NCc1ccc2c(c1)OCO2)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1144013 VQUKUVNJMPQPMJ-UHFFFAOYSA-N 368.301 2.360 5 50 FEBA O=C(Cc1cccs1)Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1 2760511 MRQFSXSNLXMMPZ-GFCCVEGCSA-N 368.436 2.283 5 50 FEBA CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCOC)=C1C 2071086 AHCBQJZKHQGKMS-OAHLLOKOSA-N 363.370 2.145 5 50 FEBA C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc([N+](=O)[O-])c3)n1C)C[C@@H](C)O2 240412860 FOKNPJBIPBNRMB-FHSNZYRGSA-N 373.413 2.163 5 50 FEBA O=c1c2cc3c(=O)n(C4CCCCC4)ccc3nc2ccn1-c1ncn[nH]1 40267025 PZXRNFLZSNIQPR-UHFFFAOYSA-N 362.393 2.324 5 50 FEBA CN(C)c1cccc2c(S(=O)(=O)NCCC[N+](C)(C)C)cccc12 3199977 YBUFSKBUYUDVBJ-UHFFFAOYSA-N 350.508 2.280 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 247323756 MRFKRSXMIDLDGF-QWHCGFSZSA-N 372.468 2.270 5 50 FEBA COc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1[N+](=O)[O-] 19940217 AIFCWGQUUBJDDH-UHFFFAOYSA-N 359.342 2.258 5 50 FEBA CC(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccc([N+](=O)[O-])cc5)[C@H]34)[C@H]2C1=O 245256071 NHLGERWOCKZJIX-YUDUXTHKSA-N 369.381 2.179 5 50 FEBA CCOC(=O)CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 4551116 RIOMVMHFKLKTAU-KPKJPENVSA-N 366.351 2.203 5 50 FEBA NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 4427337 FLFIFHHQICBLKC-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@H](Sc2nccc(C)n2)C1=O 100116092 HWRYJRFYCXGKLD-ZDUSSCGKSA-N 374.378 2.126 5 50 FEBA COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 6191781 SNEXJPOBJSJOQH-UHFFFAOYSA-N 365.367 2.363 5 50 FEBA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1110639 SQYMSOMMKPSXNR-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 19373664 NAXFJTVTHRGLNV-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2c1cnn2CCO 363093116 BUBRPLMURAVUOD-INIZCTEOSA-N 360.414 2.350 5 50 FEBA C[N+](C)(C)CCC[n+]1ccc(-c2cc[n+](CCC[N+](C)(C)C)cc2)cc1 204925348 RHUHAEOMZGWHEL-UHFFFAOYSA-N 358.574 2.121 5 50 FEBA CCOC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(C(C)(C)C)C1 1194937 NVGKDOGFYAEOJF-QGZVFWFLSA-N 363.370 2.095 5 50 FEBA COc1cccc(C2=CCN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 364832820 FMTRDENKPDBTSX-UHFFFAOYSA-N 367.361 2.468 5 50 FEBA C(CCCCC[N+]12CCN(CC1)CC2)CCCC[N+]12CCN(CC1)CC2 59156977 QDZCBATTWHAOIP-UHFFFAOYSA-N 364.622 2.399 5 50 FEBA CCN(Cc1cn(CC)nc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20602137 FYRZVXUODOVXIC-UHFFFAOYSA-N 352.416 2.330 5 50 FEBA COC(=O)c1cc(C(=O)Nc2ccccc2C(=O)OC)cc([N+](=O)[O-])c1 1206489 XXJKWHBMHXGOEE-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA CN(C)c1cc2c(cc1NC(=O)c1ccccc1[N+](=O)[O-])n(C)c(=O)n2C 4820797 XLQVOTFTHKZZAQ-UHFFFAOYSA-N 369.381 2.104 5 50 FEBA COc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 52537623 ASTBIOMJLLXPFF-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 150876628 DJZMFJKRPYZLMY-DZGCQCFKSA-N 356.430 2.456 5 50 FEBA O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@H](CO)C3)ncn1)CC2 154133697 CVKVFALFUHDXFK-AWEZNQCLSA-N 369.425 2.156 5 50 FEBA COCCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O 32089091 BRRJYYGJIIXYHX-UHFFFAOYSA-N 361.401 2.406 5 50 FEBA NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H](Nc2ccccn2)CC1 253428926 LSLZWMRDZDQXBY-HAQNSBGRSA-N 356.386 2.319 5 50 FEBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(C(=O)O)cc(C(=O)O)c1 2949343 ICJMFCMGFRZFMN-UHFFFAOYSA-N 360.278 2.009 5 50 FEBA COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 22034386 MOKVCFJBASTBPZ-FUNVUKJBSA-N 363.414 2.451 5 50 FEBA COCCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1891427 KYWWUFTUKSBOIC-UHFFFAOYSA-N 374.349 2.416 5 50 FEBA COC(=O)c1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])o2)cc(C(=O)OC)c1 13882059 WJVCFLJEDLDAPU-HYXAFXHYSA-N 374.305 2.413 5 50 FEBA Cc1cc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(O)n1 253405814 QWZZNMXWHNDEII-ZDUSSCGKSA-N 356.382 2.260 5 50 FEBA O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N(CC(F)(F)F)C1CCC1 175957075 DYVCXIWIWMOETD-UHFFFAOYSA-N 373.287 2.446 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1Cc1ccco1 40399062 BBHNBCSUYKPPPU-UHFFFAOYSA-N 359.345 2.065 5 50 FEBA COC(=O)CCSc1cc([N+](=O)[O-])cc2onc(C3OCCO3)c12 1085870 YAAUPGARPCNNAF-UHFFFAOYSA-N 354.340 2.437 5 50 FEBA NCC1(CNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)CC1 1875276545 AJOBWNXLHGLSPM-UHFFFAOYSA-N 357.360 2.428 5 50 FEBA CCOC(=O)Cc1csc(NC(=O)COc2ccccc2[N+](=O)[O-])n1 16956652 IHVILFDGNDTREQ-UHFFFAOYSA-N 365.367 2.174 5 50 FEBA CC1(C)[C@H]([N+](=O)[O-])[C@H](c2ccccn2)N[C@@H](c2ccccn2)[C@@H]1[N+](=O)[O-] 13514627 PDCGKLLRCGMRSP-YHUYYLMFSA-N 357.370 2.179 5 50 FEBA O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1c2ccccc2CC[C@@H]1CO 170611718 LVRNYQCKZHVIQI-KUHUBIRLSA-N 355.394 2.419 5 50 FEBA COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1 1184061 FRPZGQIGEWDMSD-NSHDSACASA-N 370.159 2.158 5 50 FEBA CCn1c(=N)c(C(=O)N2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100662722 CYHZBSXIIMISCK-UHFFFAOYSA-N 365.437 2.083 5 50 FEBA Cc1cccc(C(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)c1 2748974 FHOXGEJLVXSQFT-UHFFFAOYSA-N 356.334 2.059 5 50 FEBA CN(Cc1nc2ccsc2c(=O)[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 131615213 IGPVPYWHMZRMIT-CYBMUJFWSA-N 360.395 2.058 5 50 FEBA O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 860036 GTOQKGLNEXWAHP-UHFFFAOYSA-N 355.350 2.320 5 50 FEBA CCN(c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])S(C)(=O)=O 4800251 HRNHRUOVHNFANF-UHFFFAOYSA-N 357.266 2.308 5 50 FEBA O=C(Nc1ccon1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 18172628 QABQQUNIBCFPIE-IUOZQUQDSA-N 358.358 2.109 5 50 FEBA NC1=Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)N1 4623172 HITVIZWXLYECFD-INIZCTEOSA-N 374.364 2.431 5 50 FEBA COc1ccc(OC[C@@H](O)CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2832770 OLTBMPBSOPFACG-YKXBDCQTSA-N 372.377 2.173 5 50 FEBA Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3)n2)c(C)c1[N+](=O)[O-] 2764984 BJWBRPYMLXRDPR-UHFFFAOYSA-N 354.370 2.292 5 50 FEBA NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1202886 KYYSXRVIYJPWJT-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA Cc1ccnc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c1 1316656 DNFWIMBHXOXSEE-UHFFFAOYSA-N 354.164 2.204 5 50 FEBA CCn1ncc(Cl)c1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602075 UNYAPMAPRMHETM-UHFFFAOYSA-N 358.807 2.285 5 50 FEBA C[N@@+]12CCc3cc4c(cc3[C@@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4 248087873 SZMZXQWCICMUFH-SFTDATJTSA-N 354.382 2.048 5 50 FEBA biogenic,in-vitro Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccc(Br)cn1 6275657 YIMJXFGZGBQLGX-UHFFFAOYSA-N 354.164 2.286 5 50 FEBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)c1 6373297 ILYQZNPTGBWBAJ-UHFFFAOYSA-N 359.367 2.035 5 50 FEBA O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 286421566 VKVCAGYIHSRGPY-KWQFWETISA-N 372.303 2.104 5 50 FEBA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 100503327 AGSMRMOFSMBDMQ-CQSZACIVSA-N 363.395 2.210 5 50 FEBA COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 1071031 JVNFWFTWNCJTJT-UHFFFAOYSA-N 364.383 2.157 5 50 FEBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C(C)=O)c1O 328596130 UDIKVWLKDHESLJ-UHFFFAOYSA-N 366.351 2.312 5 50 FEBA O=[N+]([O-])c1ccc(-c2nnc3ccc4nnc(Br)n4n23)cc1 848431 ADUAEOZFCOQQPB-UHFFFAOYSA-N 360.131 2.110 5 50 FEBA COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 3833670 RJLLYYHFZOIBMY-UHFFFAOYSA-N 365.367 2.363 5 50 FEBA COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 4980364 UKCKNLHOLRNLAP-UHFFFAOYSA-N 366.351 2.191 5 50 FEBA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 2867200 WLTVHIDPKXTMKZ-UHFFFAOYSA-N 372.381 2.499 5 50 FEBA O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 1081656 MTHPGIYVNAHRJC-UHFFFAOYSA-N 355.350 2.320 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1[N+](=O)[O-] 100302268 YLWSYUIFDBSVLQ-KUDNYVPYSA-N 356.334 2.222 5 50 FEBA COC(=O)/C=C/c1ccc(N[C@@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 253417615 BSXQDUNSGVIBJF-ZRQQLDRUSA-N 368.411 2.159 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 4913671 KDGMPIROECTBJA-AWEZNQCLSA-N 362.382 2.441 5 50 FEBA COc1cccc(N2CCN(C(=O)c3ccc(O)c([N+](=O)[O-])c3)CC2)c1 164000029 YRDXNPRPXXRYQS-UHFFFAOYSA-N 357.366 2.271 5 50 FEBA COC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C 5027834 QOPPGAMPUCZUJW-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1[N+](=O)[O-] 101418425 KJIHZFWTKWJZAM-MPTQWLOMSA-N 368.345 2.222 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(C[C@@H]2CC=CCC2)CC1 54991926 NGJRYJUQUYLNMC-OAHLLOKOSA-N 365.455 2.257 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 753285 WFQQSFXWRANJRC-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA COC(=O)c1cc(C(=O)Nc2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 4700473 XVTMCTSBBCADQO-UHFFFAOYSA-N 358.306 2.405 5 50 FEBA CCOc1c(Br)cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC 2459185 SKJQOHGNTLIWTN-MFKMUULPSA-N 373.203 2.453 5 50 FEBA Cc1cccnc1NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1 4855609 ABTLLNZNERBIFD-UHFFFAOYSA-N 355.398 2.302 5 50 FEBA COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1[N+](=O)[O-] 678744 YKHJHHAKAIATSI-UHFFFAOYSA-N 355.306 2.082 5 50 FEBA COC(=O)c1cc(C(=O)Oc2c(C=O)cccc2OC)cc([N+](=O)[O-])c1 2851399 NMDJQMUJJPHKBA-UHFFFAOYSA-N 359.290 2.422 5 50 FEBA Cc1cccc(Cn2cnc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 6373281 RUHSMOPIRSKOLX-UHFFFAOYSA-N 373.394 2.344 5 50 FEBA Cn1c(=O)c2cn3c4ccccc4nc(-c4ccncc4)c3c2n(C)c1=O 804799 NFGKVQVVBGECTQ-UHFFFAOYSA-N 357.373 2.100 5 50 FEBA CC(C)N1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H]4N=NN(c5ccccc5[N+](=O)[O-])[C@@H]34)[C@H]2C1=O 245234369 ANHVUSZOMDZTPV-UHAWRJBMSA-N 369.381 2.179 5 50 FEBA CCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21 100681370 VXQNWSPHPWCCMI-UHFFFAOYSA-N 365.437 2.211 5 50 FEBA CC(=O)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 4499183 LHRUPLYFOKRTAO-UHFFFAOYSA-N 350.394 2.393 5 50 FEBA Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 4986164 WZEZHOUVHPYREJ-UHFFFAOYSA-N 361.427 2.495 5 50 FEBA Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])s1 1463178156 XLKDRGMCGDYNLB-CBAPKCEASA-N 374.362 2.041 5 50 FEBA COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 5047670 HGWCTPCUONRBNH-UHFFFAOYSA-N 363.370 2.251 5 50 FEBA C[C@@H](Nc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)c(=O)n2C)c1ccccc1 4856970 OSFMCKVTXCZYGY-LLVKDONJSA-N 354.366 2.319 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2ccccc2)CC1 55554749 OSQYYCGSIMDWQU-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA CCn1nc(C)c(CN(C)C(=O)[C@@H](C)Cn2nc([N+](=O)[O-])cc2C)c1C 2791393 VYSSYJAYXNXKJD-NSHDSACASA-N 362.434 2.228 5 50 FEBA C[C@H](NC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 1149614 YWWBSUZTIQZRSR-RYUDHWBXSA-N 367.361 2.457 5 50 FEBA CC[C@@H]1OCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] 277742589 ISDFBBBQGQZCMI-HIFRSBDPSA-N 366.414 2.476 5 50 FEBA Nc1ccc(NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 819899914 WMWLFGXOPXOZPX-CYBMUJFWSA-N 358.329 2.308 5 50 FEBA Cc1nn(CC(=O)Nc2ccc(Cn3cccn3)cc2)c(C)c1[N+](=O)[O-] 2760706 XQLZPFKIFQAJPL-UHFFFAOYSA-N 354.370 2.292 5 50 FEBA COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)cc([N+](=O)[O-])c1 2198305 FVIRVQZWVIZYNM-UHFFFAOYSA-N 369.721 2.309 5 50 FEBA O=C(NCC(F)(F)F)[C@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1 225422859 FVVVGDQIPHGXSY-JTQLQIEISA-N 371.319 2.137 5 50 FEBA Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] 4078754 BBFOIHDBKDUFMC-UHFFFAOYSA-N 350.352 2.110 5 50 FEBA COc1ccccc1C(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 1857526307 YVZSCCBDCQITHE-QWHCGFSZSA-N 369.377 2.025 5 50 FEBA COc1cc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])nc1[N+](=O)[O-] 55453940 NXOVTHLPVNAGQH-UHFFFAOYSA-N 373.369 2.229 5 50 FEBA C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O 293630536 GMBNOLFWVPJWBL-VXGBXAGGSA-N 363.414 2.408 5 50 FEBA C[N@@+]12CCc3cc4c(cc3[C@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4 248087869 SZMZXQWCICMUFH-RTWAWAEBSA-N 354.382 2.048 5 50 FEBA biogenic,in-vitro C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 150876680 DJZMFJKRPYZLMY-ZFWWWQNUSA-N 356.430 2.456 5 50 FEBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1 2813536 WOINHOPRXCUJBU-UHFFFAOYSA-N 354.291 2.266 5 50 FEBA Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CCN(C)C1CC1)C1CC1 225390277 KKKSQZWABOPBFT-UHFFFAOYSA-N 353.444 2.151 5 50 FEBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nnc(CCc2ccccc2)s1 1432657 IZXJGSCDOOIOMY-UHFFFAOYSA-N 358.383 2.067 5 50 FEBA CC(=O)N1N=C(Cc2ccc([N+](=O)[O-])cc2)O[C@]12C(=O)Nc1ccccc12 4753749 HLXKYHYUVIUJEK-GOSISDBHSA-N 366.333 2.135 5 50 FEBA Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4159807 UDJRFSJRVFRIEY-UHFFFAOYSA-N 363.395 2.210 5 50 FEBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccccc1 4687389 FFHYQHRQFNYPQQ-AWEZNQCLSA-N 361.423 2.494 5 50 FEBA O=C(O)c1cccc(-c2ccc(/C=C\c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1 30840491 LFLKMCIKENDCDD-XQRVVYSFSA-N 369.289 2.100 5 50 FEBA Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Cn1cc([N+](=O)[O-])cn1 1015893 SLYACJCFVFBJDO-UHFFFAOYSA-N 372.360 2.431 5 50 FEBA Cc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)o1 17075057 IPGROHIYGBZXPZ-UHFFFAOYSA-N 365.411 2.003 5 50 FEBA COc1cc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])c(OC)cc1Br 718772 FWYZKWZWVRHMPG-RNCFNFMXSA-N 359.176 2.063 5 50 FEBA C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1149615 YWWBSUZTIQZRSR-NEPJUHHUSA-N 367.361 2.457 5 50 FEBA C[C@@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)C1 245225698 FFOLEUPIYFJTMB-IJLUTSLNSA-N 350.423 2.040 5 50 FEBA CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N@@+]3(CC)[C@@H]1O 252460850 IPJIEDBVLQTGNW-KQWXLMFQSA-N 355.502 2.089 5 50 FEBA biogenic COC(=O)c1cc(C)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 225815413 BWIXNNADSXIUMN-UHFFFAOYSA-N 370.409 2.407 5 50 FEBA C[C@H]1C[C@@H](C)CN(c2nc(N)c([N+](=O)[O-])c(NC[C@H]3CCCO3)n2)C1 245225697 FFOLEUPIYFJTMB-GRYCIOLGSA-N 350.423 2.040 5 50 FEBA CC(=O)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 9280199 HEHDOVPQQJGTNG-UHFFFAOYSA-N 353.385 2.136 5 50 FEBA O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c([nH]1)CCC2 2325744379 OGZUCEULROXSID-INIZCTEOSA-N 355.350 2.374 5 50 FEBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1 1149487 ZRLGDCCSEYQCPW-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OC(F)F 9235257 MTDCVKXROMUSJX-HWKANZROSA-N 355.253 2.164 5 50 FEBA O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccccc2)CC1 19841779 OYNILCLLXIHKFH-UHFFFAOYSA-N 361.423 2.101 5 50 FEBA Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n(Cc2ccc(F)cc2)n1 1429224 PICFYQORZVJAOV-UHFFFAOYSA-N 358.333 2.122 5 50 FEBA COc1cc(CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])cc1OC 22591760 WKAMFQSBEDUFIX-UHFFFAOYSA-N 358.398 2.329 5 50 FEBA O=C1N(c2cccc([N+](=O)[O-])c2)[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 1057763 DLAFJJAYHSMLJE-JKSUJKDBSA-N 373.390 2.207 5 50 FEBA C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O 293630534 GMBNOLFWVPJWBL-RYUDHWBXSA-N 363.414 2.408 5 50 FEBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1F 1152873 IRANEZPMXBTLEF-UHFFFAOYSA-N 367.358 2.139 5 50 FEBA N[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21 170615017 SVWYOZSBWIKVRL-CQSZACIVSA-N 351.359 2.333 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1C[C@H]1CCCO1 38829112 MBSAJNBQMKTEHD-CQSZACIVSA-N 374.400 2.275 5 50 FEBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCS(=O)(=O)C(C)(C)C1 125731706 VAUAEPYORJEXFS-UHFFFAOYSA-N 355.416 2.253 5 50 FEBA CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 952891698 HIOCKVJCOKZEHM-HZPDHXFCSA-N 354.410 2.448 5 50 FEBA COCCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cccc([N+](=O)[O-])c1 1793578 ZHEODWWCHIFPSA-HNNXBMFYSA-N 363.370 2.097 5 50 FEBA CSCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 3900947 BQZKWQTYBUIYCJ-ZDUSSCGKSA-N 351.384 2.129 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 1076853 RAWPXFZZVPESBN-UHFFFAOYSA-N 364.379 2.324 5 50 FEBA C[C@H](OC(=O)N[C@@]1(C(=O)O)CC[C@@H](C(=O)O)C1)c1ccccc1[N+](=O)[O-] 98052542 SKBDCZAPZZBWJU-IEVXNVSRSA-N 366.326 2.090 5 50 FEBA in-vitro COC(=O)/C=C/c1ccc(N[C@H](C)C2(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1 253417609 BSXQDUNSGVIBJF-OKPNEXGHSA-N 368.411 2.159 5 50 FEBA O=c1c2ccccc2nc(CN2CCOCC2)n1-c1ccc([N+](=O)[O-])cc1 19201845 VMKGMZWRZTXBJE-UHFFFAOYSA-N 366.377 2.126 5 50 FEBA Cn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c2ccccc21 887921 DDKBEDLQMNMQFZ-UHFFFAOYSA-N 355.306 2.110 5 50 FEBA COC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=N 100627821 WYKVRYJXMSCZJK-UHFFFAOYSA-N 352.394 2.420 5 50 FEBA COc1cc(N2CCC[C@H]([C@@H](O)c3nccn3C)C2)c(F)cc1[N+](=O)[O-] 271095093 MGTFNZNFHTUKKD-MEDUHNTESA-N 364.377 2.426 5 50 FEBA O=[N+]([O-])c1ccc(OC[C@H](O)CNC[C@H]2OCCc3ccccc32)cc1 4350535 PAVLJSHQPCIAPU-VQIMIIECSA-N 358.394 2.238 5 50 FEBA O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(F)c([N+](=O)[O-])c1 15592478 YFAQJNGAFAMCIK-RYUDHWBXSA-N 363.345 2.238 5 50 FEBA CCOC(=O)c1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 865514 ONXFUVWVTDMVFR-UHFFFAOYSA-N 369.333 2.437 5 50 FEBA O=c1[nH]nc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc12 9070388 NRYMVCAWZHHNQF-UHFFFAOYSA-N 352.350 2.335 5 50 FEBA CSc1nc2nc(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])ccn2n1 4052541 SBNVWSZSBXIPTH-UHFFFAOYSA-N 372.410 2.258 5 50 FEBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(CN2CCOCC2)cc1 19312623 NMQHIEQZJSSMNJ-UHFFFAOYSA-N 371.393 2.445 5 50 FEBA CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCOC)=C1C 2071087 AHCBQJZKHQGKMS-HNNXBMFYSA-N 363.370 2.145 5 50 FEBA COc1ccc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 3880251 ORLKVTAMQYHSJS-UHFFFAOYSA-N 355.394 2.495 5 50 FEBA O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 9319192 IJJVYRKFJBGTEH-UHFFFAOYSA-N 352.302 2.476 5 50 FEBA Cc1cc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)c([N+](=O)[O-])c(O)n1 253405812 QWZZNMXWHNDEII-CYBMUJFWSA-N 356.382 2.260 5 50 FEBA C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 150876594 DJZMFJKRPYZLMY-UKRRQHHQSA-N 356.430 2.456 5 50 FEBA CCOC(=O)c1c[nH]c2c(ccc3ccccc32)c1=NCCOCCO 5958545 RIGUENPTINXYLC-UHFFFAOYSA-N 354.406 2.407 5 50 FEBA COC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 841290 LSNRHGUSUAJJSV-UHFFFAOYSA-N 369.377 2.344 5 50 FEBA COc1cccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)c1 2872863 GLLZIUFVYCRVNY-UHFFFAOYSA-N 355.394 2.495 5 50 FEBA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 5094066 ZFYQPYMKFGHSJJ-UHFFFAOYSA-N 369.786 2.456 5 50 FEBA Cc1ccc(C(=O)NC(=S)Nc2ccccc2C(N)=O)cc1[N+](=O)[O-] 2829266 ILVJNOMCPUJZII-UHFFFAOYSA-N 358.379 2.129 5 50 FEBA Cn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2Br)cc1=O 170600385 QVGUTULLLXQLMY-UHFFFAOYSA-N 352.144 2.308 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCC2(CC1)OCCO2 5041765 YKNLSJDPWSJOSH-UHFFFAOYSA-N 353.400 2.139 5 50 FEBA O=C1C[C@@H]2OCC=C3C[N@+]4([O-])CC[C@]56c7ccccc7N1[C@@H]5[C@@H]2[C@H]3C[C@H]64 247288838 ADTDBAKUQAKBGZ-WRBZRMMPSA-N 350.418 2.105 5 50 FEBA in-vitro CCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 252441402 UAUHEPXILIZYCU-PCVFUSSRSA-N 369.529 2.479 5 50 FEBA C[N@@+]12CC[C@]34c5ccccc5N[C@H]3[C@@H]3[C@H](CC(=O)O)OCC=C(C1)[C@@H]3C[C@@H]42 252695400 ZKGBDMFTGPUHJP-YIPKKHAISA-O 367.469 2.387 5 50 FEBA biogenic Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])s1 1463178164 XLKDRGMCGDYNLB-VXNVDRBHSA-N 374.362 2.041 5 50 FEBA CN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1 4983197 KSPCSQNXCHLXLL-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA CC(=O)Nc1cccc(CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 424751306 IMVLQUSLDWRXAC-UHFFFAOYSA-N 354.366 2.076 5 50 FEBA COc1ccc(Cn2cc(F)c(=O)n(CCC(C)C)c2=O)cc1[N+](=O)[O-] 1204650 DODIGJPLADENAI-UHFFFAOYSA-N 365.361 2.160 5 50 FEBA O=c1c2ccccc2ncn1CCOCCOc1ccc([N+](=O)[O-])cc1 2862945 UMQATNFAYUHGKT-UHFFFAOYSA-N 355.350 2.400 5 50 FEBA O=C(O)c1cccnc1S[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O 19774515 WZBLSPDCFLPTIQ-GFCCVEGCSA-N 373.346 2.112 5 50 FEBA COC(=O)c1cc(O)c2cc3c(O)cc(C(=O)OC)nc3c(Cl)c2n1 39221272 LHMHSLDEBIORIK-UHFFFAOYSA-N 362.725 2.421 5 50 FEBA CC(C)n1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21 100630684 VKXRUXYYEBJOEH-UHFFFAOYSA-N 365.437 2.382 5 50 FEBA O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 828332 UASDNLRYWOEUCM-CQSZACIVSA-N 368.345 2.374 5 50 FEBA O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(Cc2c(F)cccc2Cl)CC1 20028659 AHMPLVDLIDXPLB-UHFFFAOYSA-N 367.768 2.068 5 50 FEBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)cc(Br)c1O 94986263 OBUGUMOAUVFAHC-UHFFFAOYSA-N 350.068 2.356 5 50 FEBA in-vitro CC(=O)Oc1ccccc1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-] 6318140 XMJFPZGUNNCEAE-UHFFFAOYSA-N 358.306 2.316 5 50 FEBA O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(F)cc1 1088724 QCLHKJWRLYJLPS-CQSZACIVSA-N 366.370 2.432 5 50 FEBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4043679 SYVCJFNSTBNTRR-UHFFFAOYSA-N 361.423 2.414 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc2c(c1)OCO2 3901399 KLBRWFJFRLHQNM-UHFFFAOYSA-N 350.352 2.110 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1[N+](=O)[O-] 195460000 TWNYYNOOHDOFDF-DPNLBMGJSA-N 368.345 2.078 5 50 FEBA CN(c1ccc([N+](=O)[O-])nc1)S(=O)(=O)c1ccc(OCC(F)F)cc1 170619599 BYEBRCJQNGEZOI-UHFFFAOYSA-N 373.337 2.459 5 50 FEBA Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)cc1 804792 LIKQXXFPNIUVTE-UHFFFAOYSA-N 371.400 2.409 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1-c1ccccn1 38829462 LLGPXGSBPVTBHS-UHFFFAOYSA-N 367.368 2.480 5 50 FEBA biogenic C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(C)(=O)=O 1147549 LKCZCUXRQCDGKI-GFCCVEGCSA-N 363.395 2.388 5 50 FEBA CC1=C(C(=O)OCCOC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 4141160 URZIMGXQAUOWGM-OAHLLOKOSA-N 363.370 2.191 5 50 FEBA CCOC(=O)C(C(=O)OCC)[C@H](C[N+](=O)[O-])c1ccc(C)c(OC)c1 4810909 PNZBHFMHAUZKHS-CYBMUJFWSA-N 353.371 2.106 5 50 FEBA O=C(CCn1nnc2ccccc21)OCC(=O)c1cccc([N+](=O)[O-])c1 2532869 FOQDFOUJNCHABI-UHFFFAOYSA-N 354.322 2.156 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 4797369 JXQXELBOPXJQHY-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA CCOC(=O)c1sc2ncn3nc(-c4n[nH]cc4[N+](=O)[O-])nc3c2c1C 17076410 SKTCUWDJILPVFK-UHFFFAOYSA-N 373.354 2.122 5 50 FEBA CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C(=O)O 169725305 IXIYSAJIPHUATO-ZDUSSCGKSA-N 369.349 2.244 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1[N+](=O)[O-] 245226949 TWNYYNOOHDOFDF-CVPVQDPWSA-N 368.345 2.078 5 50 FEBA COCCNc1ccc(C(=O)NC[C@@H](CO)CC(C)C)cc1[N+](=O)[O-] 225429825 OJQWMUHXRMPESM-ZDUSSCGKSA-N 353.419 2.038 5 50 FEBA COc1cc(/C=C2/NC(=O)NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 1149065 LQZPPPRLAIMBKS-NTUHNPAUSA-N 369.333 2.363 5 50 FEBA CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1cccc([N+](=O)[O-])c1 100503331 AGSMRMOFSMBDMQ-AWEZNQCLSA-N 363.395 2.210 5 50 FEBA Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1119483 BUPVGZMGQIXZMO-LBPRGKRZSA-N 363.395 2.209 5 50 FEBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccccc2F)CC1 893064 LUTLFIJPYPTLRA-UHFFFAOYSA-N 357.341 2.332 5 50 FEBA COCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] 2859216 PYEQFEZBLMDCRE-UHFFFAOYSA-N 357.366 2.152 5 50 FEBA Cc1nn(CC(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)c1[N+](=O)[O-] 651432 LREWEEUTLJXHBK-UHFFFAOYSA-N 372.360 2.431 5 50 FEBA C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CCN1Cc1ccccc1 150876657 DJZMFJKRPYZLMY-HIFRSBDPSA-N 356.430 2.456 5 50 FEBA COc1cc([N+](=O)[O-])ccc1C(=O)OCc1nc(N)c2ccccc2n1 755677927 IGSIGZAFSFZDDM-UHFFFAOYSA-N 354.322 2.486 5 50 FEBA COC(=O)c1ccccc1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 797421 YIJAJELRKQCPNB-UHFFFAOYSA-N 352.734 2.178 5 50 FEBA COc1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 869527 OFZQFKSYLRCFCJ-UHFFFAOYSA-N 366.395 2.133 5 50 FEBA COc1cc(N2CCC[C@@H]([C@H](O)c3nccn3C)C2)c(F)cc1[N+](=O)[O-] 271095092 MGTFNZNFHTUKKD-BZNIZROVSA-N 364.377 2.426 5 50 FEBA CCCCO[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]2[C@@H](O)[C@@H]1[N+](C)(C)C 25664991 ZHESEXKBFWPZMZ-UHBLESBASA-N 366.478 2.078 5 50 FEBA Cc1nn(C)c(C(=O)Nc2ccn(Cc3ccccc3F)n2)c1[N+](=O)[O-] 653344 OZHXMMWFUHRLEK-UHFFFAOYSA-N 358.333 2.273 5 50 FEBA COc1ccc(NC(=S)NCCn2nc([N+](=O)[O-])cc2C)c(OC)c1 2728265 SBFBRYXXQAGJCF-UHFFFAOYSA-N 365.415 2.104 5 50 FEBA COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] 4980343 CRRHAELCSMSVEN-UHFFFAOYSA-N 352.324 2.102 5 50 FEBA C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C)C[C@]2(CCO[C@@H]2C)O1 240412863 FOKNPJBIPBNRMB-VFVRVIDISA-N 373.413 2.163 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 245226950 TWNYYNOOHDOFDF-LFCXMHMLSA-N 368.345 2.078 5 50 FEBA O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19827985 HDQCGPDWVNKRKN-UHFFFAOYSA-N 369.377 2.282 5 50 FEBA CCn1c(=N)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c2ccccc21 334157758 PPNGMEVAIDJMJY-UHFFFAOYSA-N 369.381 2.498 5 50 FEBA CN(C)c1nnc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)[nH]1 225844596 CYJBGSCROOFJBG-UHFFFAOYSA-N 360.418 2.037 5 50 FEBA COc1cc([N+](=O)[O-])ccc1N1C(=O)C[C@@H](Sc2nccc(C)n2)C1=O 18137804 HWRYJRFYCXGKLD-CYBMUJFWSA-N 374.378 2.126 5 50 FEBA COC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 52507903 DIPUKPJVMBHDPP-NSHDSACASA-N 365.386 2.485 5 50 FEBA CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N@+]3(CC)[C@@H]1O 252441155 IPJIEDBVLQTGNW-AYYLZWCDSA-N 355.502 2.089 5 50 FEBA Nc1nnc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)s1 2842953 OELAKSKYRJUKEA-UHFFFAOYSA-N 368.425 2.369 5 50 FEBA O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCO[C@@H](c2ccc(Br)cc2)C1 229773515 APXGCCZLDRRAEJ-JHJVBQTASA-N 355.188 2.014 5 50 FEBA O=c1c(Br)cnc2sc(-c3ccc([N+](=O)[O-])cc3)nn12 1234557 ZYNBITIYOWJTSX-UHFFFAOYSA-N 353.157 2.489 5 50 FEBA COC(=O)[C@H]1CCN(c2nc(O)c3cc([N+](=O)[O-])ccc3n2)[C@H]1C(C)C 253630369 ZZTCRGFRLLESGQ-FZMZJTMJSA-N 360.370 2.268 5 50 FEBA CC(C)(C)OC(=O)NC1(CO)CCN(c2ccc([N+](=O)[O-])cc2)CC1 225648233 PSVARLUEWVVAGN-UHFFFAOYSA-N 351.403 2.451 5 50 FEBA CC(C)[C@@H]1NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 225827381 QZESFFNUKIBJGP-NSHDSACASA-N 356.176 2.434 5 50 FEBA O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1C[C@@H]1CCCO1 38829110 MBSAJNBQMKTEHD-AWEZNQCLSA-N 374.400 2.275 5 50 FEBA O=C(O)C[C@@H]1OCC=C2C[N@+]3([O-])CC[C@]45c6ccccc6N[C@@H]4[C@@H]1[C@H]2C[C@H]53 247391963 LKMZZBZFIQDLES-WRBZRMMPSA-N 368.433 2.255 5 50 FEBA Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CCOC3)C2)c1[N+](=O)[O-] 170591498 YDZDWYXSWQBOEA-BLLLJJGKSA-N 367.358 2.054 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1NCc1ccccc1 19419175 OQUFWNXVATWOEL-UHFFFAOYSA-N 356.426 2.321 5 50 FEBA O=C(NCCSc1nnnn1-c1ccccc1)c1cccc([N+](=O)[O-])c1 4743712 WVEQVVVYMXBJBG-UHFFFAOYSA-N 370.394 2.093 5 50 FEBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nnc(CCc2ccccc2)s1 2883432 INYXFQUZLSYKSD-UHFFFAOYSA-N 358.383 2.067 5 50 FEBA COc1cc(C(=O)NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC 1183283 KHESPRKLPNYKOW-UHFFFAOYSA-N 360.322 2.271 5 50 FEBA C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 14210659 DGLFZVDRUXPMCV-JTQLQIEISA-N 350.352 2.363 5 50 FEBA COC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] 29411459 IEIYBNLJOYSSGO-UHFFFAOYSA-N 365.386 2.439 5 50 FEBA C[C@H](C1CCN(C)CC1)N(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 272195834 OLJBHFPPCJCQKK-GFCCVEGCSA-N 353.394 2.301 5 50 FEBA COc1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 943318 GEMHBOCWZDTWHA-UHFFFAOYSA-N 369.333 2.228 5 50 FEBA O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@@H]1CO 170611720 LVRNYQCKZHVIQI-AUUYWEPGSA-N 355.394 2.419 5 50 FEBA CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1[N+](=O)[O-] 245226951 TWNYYNOOHDOFDF-XTPYWUFDSA-N 368.345 2.078 5 50 FEBA O=C(Nc1ccc(I)cn1)c1ccc([N+](=O)[O-])o1 4749184 NCVZYHXEFKWJSY-UHFFFAOYSA-N 359.079 2.440 5 50 FEBA COC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(=O)OC)c1 805346 QANIDQZQKVGLEK-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA O=[N+]([O-])c1cc([N+](=O)[O-])c(N(CCO)Cc2ccccc2)c([N+](=O)[O-])c1 110230362 DPXLIGMTLRWAIO-UHFFFAOYSA-N 362.298 2.410 5 50 FEBA Cc1nn([C@@H](C)C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] 6527464 ICFUSKYBLDAKRP-QMMMGPOBSA-N 354.164 2.457 5 50 FEBA O=C1c2ccccc2C(=O)N1CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 1124932 SUSRBNKSYHBADX-UHFFFAOYSA-N 364.317 2.484 5 50 FEBA CCCC[N@@+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 242723018 YBCNXCRZPWQOBR-FRNBUXIHSA-N 360.474 2.233 5 50 FEBA biogenic,world CCOCc1nnc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)s1 2848382 YPJYXSUGINSAOG-UHFFFAOYSA-N 366.355 2.022 5 50 FEBA CCn1cc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)c([N+](=O)[O-])n1 1474805596 KQVWMKSHWMBRPW-GFCCVEGCSA-N 356.429 2.302 5 50 FEBA O=[N+]([O-])c1cc(Cl)cnc1NCCN1c2ccccc2NS1(=O)=O 170601932 IQHFVKYLJLDSFQ-UHFFFAOYSA-N 369.790 2.232 5 50 FEBA C[C@H](OC(=O)CCCCC(N)=O)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 225841226 DJQLZCIIIIGVFT-JTQLQIEISA-N 362.342 2.295 5 50 FEBA CCOC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2046455 RVEIAMZETABDBE-INIZCTEOSA-N 368.345 2.365 5 50 FEBA COCCCn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O 38828992 QOASXMCGQTVXHV-UHFFFAOYSA-N 362.389 2.132 5 50 FEBA COc1ccc(OC[C@H](O)CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2832768 OLTBMPBSOPFACG-ZWIJEDICSA-N 372.377 2.173 5 50 FEBA CC(C)(C)OC(=O)CC[C@H](NSc1ncccc1[N+](=O)[O-])C(=O)O 28631517 DZZKYCRBJSJURE-VIFPVBQESA-N 357.388 2.162 5 50 FEBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCOCC1 1114864 SXXOVLLRBBSTTH-UHFFFAOYSA-N 357.366 2.449 5 50 FEBA CCOCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 2082099 UMXRTMBQRKLMLA-HNNXBMFYSA-N 363.370 2.145 5 50 FEBA O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)c2ccccc21 240786077 IACUOUOLJFTHNK-FXAWDEMLSA-N 363.373 2.328 5 50 FEBA C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nncn1C 170606132 YYDTYVSWTYSVCP-CYBMUJFWSA-N 372.429 2.247 5 50 FEBA CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 854688 QWZWIBSKPSYXBG-UHFFFAOYSA-N 353.331 2.493 5 50 FEBA O=C(CCc1nc(C2CC2)no1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 170605649 PUGGHIJSDWLKRY-UHFFFAOYSA-N 358.354 2.078 5 50 FEBA O=C(CN1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1)NC1CC1 225650059 CGLFGYWQVKZYPU-UHFFFAOYSA-N 373.240 2.302 5 50 FEBA CNc1nn(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 5209341 BNUVFXSKCARCJU-UHFFFAOYSA-N 350.278 2.089 5 50 FEBA COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 1152066 ODICWHUZYVSYSU-UHFFFAOYSA-N 358.350 2.270 5 50 FEBA Cc1cc(C)n2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc2n1 1062349 GHPRWLOQRIRYSE-UHFFFAOYSA-N 358.383 2.380 5 50 FEBA O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3Cl)cc2[nH]1 225395952 PFBPCZOSSYBWTL-UHFFFAOYSA-N 368.758 2.219 5 50 FEBA O=[N+]([O-])c1ccc2c(c1)CN(c1cc(N3CCC[C@@H](CO)C3)ncn1)CC2 225415305 CVKVFALFUHDXFK-CQSZACIVSA-N 369.425 2.156 5 50 FEBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccc(F)cc1 938618 NQFUDPLJNXNPAP-UHFFFAOYSA-N 358.281 2.326 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1[C@H](C)C(=O)NCc1ccco1 1070777 ZALYCIUORLZMBL-MRVPVSSYSA-N 357.164 2.333 5 50 FEBA COc1ccc(NC(=O)c2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1 4998210 QSPWYVCGPVYLEN-UHFFFAOYSA-N 356.382 2.265 5 50 FEBA COc1cc([C@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc(Br)c1OC 2459180 UXKRIFRARWHSDM-BXKDBHETSA-N 359.176 2.063 5 50 FEBA Cc1nn(-c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12 4044520 JMWBBLCSAAETQR-UHFFFAOYSA-N 366.377 2.439 5 50 FEBA CSCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 3900948 BQZKWQTYBUIYCJ-CYBMUJFWSA-N 351.384 2.129 5 50 FEBA COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc([N+](=O)[O-])c1O 36476307 JQNWFLQFHSNEIK-ZSOIEALJSA-N 369.358 2.079 5 50 FEBA CCCOCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1ccccc1[N+](=O)[O-] 4913306 QVAVWMPSJXQMGT-AWEZNQCLSA-N 362.382 2.442 5 50 FEBA COc1ccc(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)cc1OC 826487 MSZDLLJZDRQUHO-UHFFFAOYSA-N 354.750 2.409 5 50 FEBA CCOC(=O)c1cc2n(n1)CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C2 36472938 IIRGEIKLCGECFA-UHFFFAOYSA-N 374.353 2.120 5 50 FEBA CN(Cc1ccccc1)C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 850466 QHUCYXOLQYLOLT-UHFFFAOYSA-N 367.361 2.240 5 50 FEBA Cc1cc(C)n(Cc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)n1 2748036 YTXKQXWFZKVYGW-UHFFFAOYSA-N 354.370 2.292 5 50 FEBA O=C(c1ccc2c(c1)OCCO2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4746797 GEUBZLJNZSAKRV-UHFFFAOYSA-N 369.377 2.328 5 50 FEBA CCOc1cccc([N+](=O)[O-])c1C(=O)NCc1nnc(S)n1C(C)C 253404846 TVFUOUZHOBNOAW-UHFFFAOYSA-N 365.415 2.385 5 50 FEBA Cn1c(=O)c(=O)n(C)c2cc([N+](=O)[O-])c(NCCC3=CCCCC3)cc21 4853431 DSDNNHBMWUIHGQ-UHFFFAOYSA-N 358.398 2.448 5 50 FEBA CC1CCC(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 35624732 YYKLNSCYNJBHLS-UHFFFAOYSA-N 367.471 2.480 5 50 FEBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(C(=O)O)cc(C(=O)O)c1 2948696 VARRAWOWMGIGIF-UHFFFAOYSA-N 360.278 2.009 5 50 FEBA COC(=O)CCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccn1 6180975 XXHFUPNFSGKQKQ-UHFFFAOYSA-N 374.309 2.108 5 50 FEBA COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4262998 VOUXVYDAHAYBCT-UHFFFAOYSA-N 366.351 2.191 5 50 FEBA COc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)O)cc1[N+](=O)[O-] 5027949 BHQSYJQIICOZLW-UHFFFAOYSA-N 366.351 2.127 5 50 FEBA C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nncn1C 170606131 YYDTYVSWTYSVCP-ZDUSSCGKSA-N 372.429 2.247 5 50 FEBA CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)OC2=O 4810491 VCOOGSJJOQGCQE-SJORKVTESA-N 362.338 2.384 5 50 FEBA Cc1cccc(Cn2nc(C)cc2NC(=O)Cn2cc([N+](=O)[O-])cn2)c1 1431350 QJOQWEVJWDGTCY-UHFFFAOYSA-N 354.370 2.292 5 50 FEBA Cc1cc(S(=O)(=O)N2[C@@H](C(=O)O)CCC2(C)C)cc([N+](=O)[O-])c1C 240333256 FCMJQFFAMDFWMO-GFCCVEGCSA-N 356.400 2.228 5 50 FEBA O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 1140841 LLHGTYPJDWZCCT-UHFFFAOYSA-N 355.350 2.320 5 50 FEBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(Cc3ccccc3F)n2)n1 655346 CXZVZAWDGIMJQF-UHFFFAOYSA-N 358.333 2.447 5 50 FEBA C[C@H](Nc1ccc(C(=O)N(C)[C@H](C)C(N)=O)cc1[N+](=O)[O-])c1ccccn1 170592833 MJMBOMLYLCTACM-NWDGAFQWSA-N 371.397 2.109 5 50 FEBA CNS(=O)(=O)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5041750 IZYWMBWGPMHSQB-UHFFFAOYSA-N 350.356 2.147 5 50 FEBA COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1150648 WQNTZTVPBZRUOS-UHFFFAOYSA-N 350.352 2.491 5 50 FEBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19782427 SPRPZHTWOVZZSR-UHFFFAOYSA-N 369.377 2.282 5 50 FEBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 12446613 FESAYLKMEAJTEU-UHFFFAOYSA-N 362.327 2.256 5 50 FEBA CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N(C)C1=O 4037168 DODVQIAPPKTATQ-APWZRJJASA-N 372.425 2.410 5 50 FEBA Cc1nn(CC(=O)Nc2sc(C(C)C)cc2C(N)=O)c(C)c1[N+](=O)[O-] 2760783 CJIQDCDWUKSDNS-UHFFFAOYSA-N 365.415 2.331 5 50 FEBA O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 4092197 GJBDQJCKYVOREE-UHFFFAOYSA-N 361.423 2.247 5 50 FEBA CCN(CC)C(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)c1ccccc1 71767324 CNCDQNGXPMKMOA-MSUUIHNZSA-N 362.411 2.067 5 50 FEBA O=C(CSc1nnnn1-c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 2871279 RTNVEHRNPCYXDQ-UHFFFAOYSA-N 371.378 2.406 5 50 FEBA O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nnc(-c3ccccc3)n12 1184800 IWDXGFXMWBETEP-UVTDQMKNSA-N 350.359 2.274 5 50 FEBA Cc1ccc(CONC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)cc1 2797028 UPVFDRIZSGJFHB-UHFFFAOYSA-N 367.365 2.405 5 50 FEBA Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccncc2)n1 437304653 JBGJLVHBCDJLKO-UHFFFAOYSA-N 359.367 2.285 5 50 FEBA COC(=O)c1cccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 3128145 GOZFSCPJYIPGGM-RVDMUPIBSA-N 362.363 2.435 5 50 FEBA CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)NCCCN1CCCC1=O 4750438 ZRTRIADVGABVTH-INIZCTEOSA-N 363.414 2.189 5 50 FEBA C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 14210657 DGLFZVDRUXPMCV-SNVBAGLBSA-N 350.352 2.363 5 50 FEBA CN1CCN(CCCNc2c([N+](=O)[O-])c(=O)sc3ccccc23)CC1 3900642 ZABIUTKHDUYZCF-UHFFFAOYSA-N 362.455 2.219 5 50 FEBA NC(=O)[C@@H](Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 477038475 SWJOBZILQCACFJ-CQSZACIVSA-N 368.798 2.119 5 50 FEBA COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 1234083 JXECBLVAWOBOBR-UHFFFAOYSA-N 358.306 2.420 5 50 FEBA Cc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1[N+](=O)[O-] 3905198 MGMBFYUIGLFPEC-UHFFFAOYSA-N 353.425 2.369 5 50 FEBA CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3c(C)cc([N+](=O)[O-])cc32)N2CCC[C@@H]12 15023093 NYPNDGMZDCMCRO-UVBSCNOISA-N 359.382 2.098 5 50 FEBA CCc1c(C)sc2ncn3nc(Cn4cc([N+](=O)[O-])c(OC)n4)nc3c12 2789842 VHSNMGVLMFBZRK-UHFFFAOYSA-N 373.398 2.371 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 1130072 NDCGXRWXNBVGFI-UHFFFAOYSA-N 369.443 2.118 5 50 FEBA O=C1N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc([N+](=O)[O-])c1 5050386 DLAFJJAYHSMLJE-HZPDHXFCSA-N 373.390 2.207 5 50 FEBA COc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)cc1[N+](=O)[O-] 1162271 BDRNJAWSRNNZCJ-GOSISDBHSA-N 356.334 2.040 5 50 FEBA CC(=O)NCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 2762324 WZNFVCBEAIYYEW-UHFFFAOYSA-N 372.333 2.249 5 50 FEBA O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 286421571 VKVCAGYIHSRGPY-LDYMZIIASA-N 372.303 2.104 5 50 FEBA COCCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc([N+](=O)[O-])ccc1Cl 4906698 HBNJWCRIOBGBTJ-LBPRGKRZSA-N 368.773 2.315 5 50 FEBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCOCC2)cc1 4607982 OQFSEHUTGGEGGR-UHFFFAOYSA-N 357.366 2.449 5 50 FEBA CCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21 100627758 CTNYJRWDBSJQAN-UHFFFAOYSA-N 365.437 2.129 5 50 FEBA NS(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 1753505 JEHXRLMKUSFGEY-UHFFFAOYSA-N 354.319 2.025 5 50 FEBA Cc1nn(CCCC(=O)n2cc(Br)cn2)c(C)c1[N+](=O)[O-] 1429866 PYDNJOOGIKRFSP-UHFFFAOYSA-N 356.180 2.488 5 50 FEBA Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3ccccn3n2)c1Cl 225400527 FUTXJXVWELHLBJ-UHFFFAOYSA-N 367.774 2.400 5 50 FEBA Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](c2nccs2)C1 252498481 RCXOVSWMTIBYFT-CYBMUJFWSA-N 372.410 2.425 5 50 FEBA Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CCOC3)C2)c1[N+](=O)[O-] 170591500 YDZDWYXSWQBOEA-LRDDRELGSA-N 367.358 2.054 5 50 FEBA C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)C1 4708611 VUGXWIZFMQXSRP-ZDUSSCGKSA-N 357.435 2.268 5 50 FEBA Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])s1 1463178160 XLKDRGMCGDYNLB-IONNQARKSA-N 374.362 2.041 5 50 FEBA C[N@+]12CCc3cc4c(cc3[C@]1(O)Cc1ccc3c(c1C2)OCO3)OCO4 248087865 SZMZXQWCICMUFH-NHCUHLMSSA-N 354.382 2.048 5 50 FEBA biogenic,in-vitro COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2ccncc2)CC1 13324474 QJDCJYOSVYFDHI-UHFFFAOYSA-N 371.397 2.348 5 50 FEBA CC1(C)CN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1O 388012148 HJEOMZOVCJBXMS-NSHDSACASA-N 362.167 2.407 5 50 FEBA CC(C)(C)C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4841356 PZAWTHADZCOOLE-UHFFFAOYSA-N 350.444 2.164 5 50 FEBA COC(=O)c1oc2ccccc2c1COC(=O)Cn1cc([N+](=O)[O-])c(C)n1 2325733085 RZIXNDQZJQFXML-UHFFFAOYSA-N 373.321 2.376 5 50 FEBA CC1=NN(C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)[C@@](O)(C(F)(F)F)C1 6394963 ZXCFRGUOAKYJAF-ZANVPECISA-N 361.276 2.221 5 50 FEBA CCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 252441403 UAUHEPXILIZYCU-RGSUYYQUSA-N 369.529 2.479 5 50 FEBA Cc1cc(C(=O)NC(=S)Nc2ccccc2C(N)=O)ccc1[N+](=O)[O-] 2830411 RVYUJFMDBJQRSM-UHFFFAOYSA-N 358.379 2.129 5 50 FEBA Cn1c(=O)c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(O)c2ccccc21 100454801 HNIHDLSPPIOXPI-UHFFFAOYSA-N 355.306 2.110 5 50 FEBA C[C@H]1C[C@@H](C)CN(c2nc(NC[C@H]3CCCO3)nc(N)c2[N+](=O)[O-])C1 245225685 DEPNGHYNZRBTHK-GRYCIOLGSA-N 350.423 2.040 5 50 FEBA CCOC(=O)C1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(C(C)(C)C)C1 1194936 NVGKDOGFYAEOJF-KRWDZBQOSA-N 363.370 2.095 5 50 FEBA CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)N(C)c1cccc([N+](=O)[O-])c1 22205542 UKFLLPJSHMHQTR-UHFFFAOYSA-N 366.355 2.320 5 50 FEBA CCCC[N@@+]1(C)[C@H]2C[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 252509014 YBCNXCRZPWQOBR-ZLGGXKAXSA-N 360.474 2.233 5 50 FEBA biogenic,in-vitro CCOc1cc([N+](=O)[O-])cc(/C=C2/C(=O)N(CC)C(=S)N2C)c1O 15011140 LPKVZSBGEPRGIH-XFFZJAGNSA-N 351.384 2.119 5 50 FEBA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] 1914591 UNXHUSRGJGPFKU-OAHLLOKOSA-N 373.369 2.435 5 50 FEBA O=[N+]([O-])c1ccc(OC[C@@H](O)CNC[C@H]2OCCc3ccccc32)cc1 4350531 PAVLJSHQPCIAPU-QFBILLFUSA-N 358.394 2.238 5 50 FEBA CC(C)(C)CNc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-] 4741012 DKQBKWLAEFLWHP-UHFFFAOYSA-N 370.475 2.134 5 50 FEBA CC1(C)[C@H]([N+](=O)[O-])[C@@H](c2ccccn2)N[C@@H](c2ccccn2)[C@H]1[N+](=O)[O-] 253387402 PDCGKLLRCGMRSP-QKPAOTATSA-N 357.370 2.179 5 50 FEBA Cc1nn(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Br 1005775 LUHLGLMJVBFLNS-UHFFFAOYSA-N 360.189 2.408 5 50 FEBA COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(N)=O)c1C 2102337 JICBHVFYZVHIQX-UHFFFAOYSA-N 363.351 2.103 5 50 FEBA CC(C)[C@H]1NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O 225827403 QZESFFNUKIBJGP-LLVKDONJSA-N 356.176 2.434 5 50 FEBA O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1 2526465 PQCXVIPXISBFPN-UHFFFAOYSA-N 359.725 2.433 5 50 FEBA biogenic,in-vivo O=C(O)C[C@@H]1OCC=C2C[N@+]3([O-])CC[C@]45c6ccccc6N[C@H]4[C@@H]1[C@H]2C[C@H]53 247391947 LKMZZBZFIQDLES-JMLXRNSASA-N 368.433 2.255 5 50 FEBA Cc1ccc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 760604095 YLACJENASCZHTD-UHFFFAOYSA-N 361.423 2.414 5 50 FEBA O=C(Cn1cc([N+](=O)[O-])c(-c2nccs2)n1)NCc1ccccc1F 225653910 PSOIMMSYGCHVBC-UHFFFAOYSA-N 361.358 2.370 5 50 FEBA Cc1nonc1OCCN1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 55202019 WVVSMVLYFAKBSX-UHFFFAOYSA-N 367.793 2.141 5 50 FEBA O=C(O)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 5020942 NDBROMODXPTBHM-CQSZACIVSA-N 350.352 2.089 5 50 FEBA CC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1cccc([N+](=O)[O-])c1 1110357 ZNRUGYGFNQGSIT-MRXNPFEDSA-N 368.349 2.297 5 50 FEBA C[C@H](NC[C@H](O)COc1ccc([N+](=O)[O-])cc1)[C@H]1COc2ccccc2O1 4765169 NNUQEVKCLAMJAN-ZUEVXXBESA-N 374.393 2.153 5 50 FEBA CCOC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2-n2ccnc2)C1 252499034 RUCAVBKUQJGLTH-ZDUSSCGKSA-N 372.381 2.196 5 50 FEBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3cccs3)CC2)c1 17075442 HWSGBQVOFOAZGV-UHFFFAOYSA-N 367.452 2.163 5 50 FEBA CCCC[N@+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 242723020 YBCNXCRZPWQOBR-IGDPVYPXSA-N 360.474 2.233 5 50 FEBA biogenic,world CCN(CC)C(=O)CCn1cc([N+](=O)[O-])s/c1=N\C(=O)C(C)(C)C 71767388 ZKNPEISGSIJIGC-PEZBUJJGSA-N 356.448 2.190 5 50 FEBA Cc1nn([C@H](C)C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] 6527475 ICFUSKYBLDAKRP-MRVPVSSYSA-N 354.164 2.457 5 50 FEBA CC(=O)N[C@H](Cc1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 2988972 IYPAORCAGPIWBY-QGZVFWFLSA-N 370.361 2.068 5 50 FEBA CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2-n2ccnc2)C1 252499033 RUCAVBKUQJGLTH-CYBMUJFWSA-N 372.381 2.196 5 50 FEBA Cc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1[N+](=O)[O-] 225396831 GALVCGOWJCNSQS-UHFFFAOYSA-N 350.278 2.446 5 50 FEBA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3ncnn32)cc1[N+](=O)[O-] 4070659 UNXHUSRGJGPFKU-HNNXBMFYSA-N 373.369 2.435 5 50 FEBA N[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2cc(F)ccc21 170615016 SVWYOZSBWIKVRL-AWEZNQCLSA-N 351.359 2.333 5 50 FEBA Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4nnc3c2n(C)c1=O 780193 YTTGCGVNHBTUEZ-UHFFFAOYSA-N 357.373 2.100 5 50 FEBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccs1 677441 HSEXYYPDDSBVPA-UHFFFAOYSA-N 359.205 2.240 5 50 FEBA O=C(COc1ccccc1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19773575 CMRFTWDTJLIHDF-UHFFFAOYSA-N 355.394 2.318 5 50 FEBA COc1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 55554751 CMTRPKUYUPWZPD-UHFFFAOYSA-N 370.409 2.364 5 50 FEBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 4115872 VLDNONHKAVDNMX-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA CCN1C[C@@H](C)N(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C[C@H]1C 408334656 BRHGNJIDGMPGGI-ZIAGYGMSSA-N 355.460 2.315 5 50 FEBA CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 253424727 KGQPYGFPDAYQLI-GVXVVHGQSA-N 367.427 2.268 5 50 FEBA COc1ccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC 869537 HDSYWTAQKQHJQM-UHFFFAOYSA-N 366.395 2.133 5 50 FEBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)Cc1ccccc1 2764938 LQOIKXJMTCDVOQ-UHFFFAOYSA-N 373.409 2.427 5 50 FEBA CC(=O)c1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1124653 FPAMRINXTROZRX-UHFFFAOYSA-N 367.317 2.032 5 50 FEBA C[C@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1O 293630535 GMBNOLFWVPJWBL-TXEJJXNPSA-N 363.414 2.408 5 50 FEBA Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 4873065 VVAXSHJYEWADGQ-UHFFFAOYSA-N 350.352 2.475 5 50 FEBA COC(=O)c1cccc(NC(=O)CN(C)Cc2ccc([N+](=O)[O-])cc2)c1 1875257005 IYESANVPDGMIQG-UHFFFAOYSA-N 357.366 2.452 5 50 FEBA O=C(c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc([N+](=O)[O-])cc1 104162091 GZYULMYLNIYBDH-AWEZNQCLSA-N 370.277 2.068 5 50 FEBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1 36056116 NGQAIKFRTLKGBS-UHFFFAOYSA-N 367.452 2.163 5 50 FEBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(Cc2cccnc2)CC1 13325085 GYNQMOIQXMBPAY-UHFFFAOYSA-N 371.397 2.348 5 50 FEBA NCCc1cccc2c1N(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC2 170615018 AJJTWLKTFFPYRQ-UHFFFAOYSA-N 361.423 2.238 5 50 FEBA COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 4649831 UPICHFWSBLXUSF-NSHDSACASA-N 374.378 2.345 5 50 FEBA CCCCN(C(C)=O)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-] 25667944 HEPHQBYKVJDOFC-UHFFFAOYSA-N 359.360 2.060 5 50 FEBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 753303 SHLPPDVEEWDILD-UHFFFAOYSA-N 365.386 2.245 5 50 FEBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 5077896 OBZIFVIWXQOOIO-UHFFFAOYSA-N 363.395 2.406 5 50 FEBA CC1(C)CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1O 388012147 HJEOMZOVCJBXMS-LLVKDONJSA-N 362.167 2.407 5 50 FEBA NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 754829 NHAMKOOWBBGBIH-UHFFFAOYSA-N 355.759 2.148 5 50 FEBA Cc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl 4905119 XUYYKARPIVQOEA-UHFFFAOYSA-N 369.786 2.456 5 50 FEBA Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)NCc2ccco2)n1 2795448 JTCGXLWNFIFMQY-UHFFFAOYSA-N 369.337 2.104 5 50 FEBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1C[C@@H]2CC[C@H](C1)O2 374094579 XHWKSFIYFDJPOX-DTORHVGOSA-N 366.317 2.256 5 50 FEBA O=C(O)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 4718024 AASAAGQVBJFBKV-ZDUSSCGKSA-N 358.306 2.269 5 50 FEBA COc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 892980 MEWVQHIBIOXESJ-UHFFFAOYSA-N 369.377 2.202 5 50 FEBA in-vitro O=C(c1ccc2c(c1)OCCO2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 225608146 LEAXBRBZLIGLEV-UHFFFAOYSA-N 358.354 2.040 5 50 FEBA CC1=NN(C(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])[C@@](O)(C(F)(F)F)C1 6394980 KACKWDABUDXXJT-ZANVPECISA-N 361.276 2.221 5 50 FEBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(CN2CCOCC2)cc1 19312590 QVZDVWXUYVGCBH-UHFFFAOYSA-N 371.393 2.445 5 50 FEBA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1[N+](=O)[O-] 5028163 HIGMSZJQYZYLSP-UHFFFAOYSA-N 352.324 2.108 5 50 FEBA COc1cc(CN2CCN(Cc3cccnc3)CC2)c([N+](=O)[O-])cc1OC 865183 OLVBLYMOPKRKEG-UHFFFAOYSA-N 372.425 2.325 5 50 FEBA Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)c1 804793 FUKHHETYTFAPRM-UHFFFAOYSA-N 371.400 2.409 5 50 FEBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCNCC2)cc1 4984053 MKBGKABMPIXUIM-UHFFFAOYSA-N 356.382 2.265 5 50 FEBA CCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@@H](CC)[C@H]2O 1857526165 UAUHEPXILIZYCU-QFVMLBNVSA-N 369.529 2.479 5 50 FEBA CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@](O)(c2ccncc2)C1 879378 MHBGBYNWVRXHEA-GOSISDBHSA-N 354.366 2.376 5 50 FEBA COC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 4135768 HYMQARAMCNOPHN-LLVKDONJSA-N 374.378 2.345 5 50 FEBA O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1c2ccccc2CC[C@H]1CO 170611721 LVRNYQCKZHVIQI-IFXJQAMLSA-N 355.394 2.419 5 50 FEBA Cc1n[n+]2c(C(=O)Nc3cccc(C(F)(F)F)c3)c(C)[nH]n2c1[N+](=O)[O-] 12372001 AEMLPHTWNWADRW-UHFFFAOYSA-O 369.283 2.044 5 50 FEBA CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n([C@H](C)CC)c1=N 100628097 MFGNACJBQKZHGH-GFCCVEGCSA-N 353.426 2.158 5 50 FEBA Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 3880639 SSWUPDVRKALGTH-UHFFFAOYSA-N 361.423 2.414 5 50 FEBA CC[C@@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N@@+]3(CC)[C@@H]1O 252441156 IPJIEDBVLQTGNW-QOSJNKPWSA-N 355.502 2.089 5 50 FEBA