smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccco1 1218739 YNKSUBWSGFISLX-UHFFFAOYSA-N 411.370 3.466 5 50 HGBA O=C(c1ccccc1F)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4570849 BQKRPGBHNXWRKW-UHFFFAOYSA-N 416.428 3.436 5 50 HGBA CC(C)(CO)NCCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 170619444 UKLZZIIQFQTELV-FQEVSTJZSA-N 410.474 3.023 5 50 HGBA CC[C@@]1(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 878826 IZPUYYLMWMIFCM-UTKZUKDTSA-N 411.410 3.304 5 50 HGBA Cc1nn(CC(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 2067885 PPOQNSIRXJPKPW-UHFFFAOYSA-N 412.362 3.142 5 50 HGBA CC(C)(c1nnc(Nc2ccn(Cc3ccccc3)n2)s1)n1cc([N+](=O)[O-])cn1 2730805 UVTMYVRALHDMOJ-UHFFFAOYSA-N 410.463 3.415 5 50 HGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C)cc1 13894933 NFEHRYDCPMZCNX-CQSZACIVSA-N 409.895 3.456 5 50 HGBA CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 20602582 FIGOQRHCIVRBRX-UHFFFAOYSA-N 400.460 3.202 5 50 HGBA CC(C)(C)OC(=O)[C@@](C)(O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447671943 OAGYBVYJBWKIRL-ZDUSSCGKSA-N 415.315 3.149 5 50 HGBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)ccc1=O)c1cc(-c2ccc(F)cc2)no1 1875336644 DKBILPBQJILJKD-UHFFFAOYSA-N 420.356 3.496 5 50 HGBA Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 2851170 VVOOHHKYOHBKEP-UHFFFAOYSA-N 411.867 3.270 5 50 HGBA O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1 4976991 PPFKDARWJRHYOF-UHFFFAOYSA-N 411.439 3.429 5 50 HGBA O=C(Nc1nccs1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2763079 VTEARIZHPAKHCZ-UHFFFAOYSA-N 408.237 3.311 5 50 HGBA Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 5065399 IPRGDMNRVPMABH-UHFFFAOYSA-N 413.455 3.316 5 50 HGBA COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1195715 PBOMFAMBMHTMKV-QGZVFWFLSA-N 410.473 3.048 5 50 HGBA CCc1nnc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)s1 2835603 KUWUGPQSKQWUSX-UHFFFAOYSA-N 408.395 3.040 5 50 HGBA CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 4811048 BTZRTRJHUAFFEU-UHFFFAOYSA-N 413.455 3.397 5 50 HGBA CC(C)(C)C(=O)COC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1167022 PHNSRTBSUWOWQQ-UHFFFAOYSA-N 410.382 3.167 5 50 HGBA COc1cc(CC2=NCCc3cc(OC)c(OC)c(OC)c32)c([N+](=O)[O-])cc1OC 4565989 PGSCOTOQKXKKMN-UHFFFAOYSA-N 416.430 3.226 5 50 HGBA COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 100712251 PVJPQRHGCVTSHF-UHFFFAOYSA-N 412.398 3.436 5 50 HGBA O=C(c1ccco1)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1 4393858 ARGREGJSRZOWEX-UHFFFAOYSA-N 402.406 3.137 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1cccc2cccnc12 19419172 YOWOUTNQFPMVJK-UHFFFAOYSA-N 410.499 3.409 5 50 HGBA O=C(c1cccc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(C(=O)c2cccc([N+](=O)[O-])c2)o1 104250726 ZJIXOKZBAVESLZ-UHFFFAOYSA-N 411.282 3.466 5 50 HGBA O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)NCc1cccc(C(=O)O)c1 2879029 OLUYFMCOGRNHRO-UHFFFAOYSA-N 412.427 3.092 5 50 HGBA COC(=O)Nc1ccc(Cc2ccc(NC(=O)OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 22591108 GEUWQZWDURZNGK-UHFFFAOYSA-N 404.335 3.450 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1[N+](=O)[O-] 670560 RRJHKKICOQUMSI-UHFFFAOYSA-N 403.460 3.412 5 50 HGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2[N+](=O)[O-])n1 4143428 OYDXXFSCHWSMNN-UHFFFAOYSA-N 423.448 3.499 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1[N+](=O)[O-] 100962402 YQTPUYYGKCUYOL-SLUIBLPYSA-N 417.421 3.467 5 50 HGBA O=C(c1ccccc1Oc1nc([N+](=O)[O-])nn1Cc1ccccc1F)N1CCCC1 1428917 FFYVEQZZZYULMB-UHFFFAOYSA-N 411.393 3.402 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cccc(Br)c1 4682356 DEKXOWKUJPBRNX-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)sc2c1CCC2 2601671 AHMNIVGKXJOPJO-UHFFFAOYSA-N 406.464 3.246 5 50 HGBA CC[C@@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 464005155 IVIOBDJSNHSCIM-IBGZPJMESA-N 424.501 3.103 5 50 HGBA COc1ccccc1-n1ccc2nc3ccn(Cc4cccnc4)c(=O)c3cc2c1=O 38829143 UJTMERQJZZYXFQ-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 1143194 CNCDYIHKIVMQQC-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA O=C1O[C@]2(c3ccc(O)cc3Oc3cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c32)c2ccccc21 230141801 NVJAFBAQNWODCX-FQEVSTJZSA-N 422.305 3.482 5 50 HGBA O=C(Nc1ccccc1-n1ccnn1)c1cc([N+](=O)[O-])cc(Br)c1F 253428681 BCIMZUCKSHZUTN-UHFFFAOYSA-N 406.171 3.329 5 50 HGBA CCc1n[nH]c(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n1 40399146 IFJJOSLJVOFUPQ-UHFFFAOYSA-N 404.474 3.276 5 50 HGBA O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027826 WAYGBBAJMQNOOM-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Br 4663253 KNJZJSXTSFPCLP-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1ccc([N+](=O)[O-])cc1OC 16346227 LDFRGPFJXNUDRW-UHFFFAOYSA-N 421.431 3.216 5 50 HGBA COc1cc(N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1[N+](=O)[O-] 114003738 NYFMJFYYYWJASP-UHFFFAOYSA-N 420.510 3.125 5 50 HGBA CN(C)C=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 95682017 XXJLKVFHHFMPRW-UHFFFAOYSA-N 401.291 3.251 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 252462576 UKHLKPBTNRMFRJ-XFVROCCTSA-N 409.594 3.426 5 50 HGBA biogenic CCc1cccnc1C(=O)N[C@@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 2325839212 LXMMFRUVLZSXRM-JKSUJKDBSA-N 422.441 3.379 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl 1177274 QCYOIJYKHXGIMB-UHFFFAOYSA-N 404.231 3.110 5 50 HGBA CCN(CCn1cccn1)C(=O)[C@@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 952969428 NGPQXIOZEHOQCU-MRXNPFEDSA-N 405.454 3.459 5 50 HGBA O=C(CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 17988824 RPHSVRKAPNYPTL-KFKAGJAMSA-N 407.426 3.102 5 50 HGBA COC(=O)c1sc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c(C(=O)OC)c1C 2114736 UJIQUDBFNGDSKH-UHFFFAOYSA-N 412.807 3.444 5 50 HGBA COc1cc2nc3c4ccccc4n(CCCN4C(=O)CCC4=O)c3nc2cc1OC 4872952 GFRFVIPMNLBOFU-UHFFFAOYSA-N 418.453 3.294 5 50 HGBA O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1CCCO 40398700 DRMWEORQJZJPDF-UHFFFAOYSA-N 416.264 3.390 5 50 HGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 828336 LQNCJEJMUDQJQJ-LLVKDONJSA-N 404.220 3.349 5 50 HGBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1158980 VFXQFFOBUNGUAY-MRXNPFEDSA-N 404.398 3.305 5 50 HGBA Cc1cc(NCc2ncccc2S(C)(=O)=O)c(Br)cc1[N+](=O)[O-] 486490686 TXDRBZXQWBVDGJ-UHFFFAOYSA-N 400.254 3.076 5 50 HGBA COC(=O)c1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C 2745504 FDKGCODVHNABQG-RMKNXTFCSA-N 404.400 3.190 5 50 HGBA Cc1ccc(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)c([N+](=O)[O-])c1 2801266 OWVJELXGKLHANX-UHFFFAOYSA-N 405.374 3.067 5 50 HGBA NC(=O)c1c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 4759845 JMIVSRHBIAGZRI-UHFFFAOYSA-N 414.487 3.487 5 50 HGBA Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1cc(Cl)ccc1O 1141108 WZXXOJQLRMRQIH-UHFFFAOYSA-N 419.850 3.480 5 50 HGBA CCOc1cc(C=C(C(=O)OC)C(=O)OC)ccc1OCc1ccc([N+](=O)[O-])cc1 1090581 IWVFRBHGXHODKT-UHFFFAOYSA-N 415.398 3.302 5 50 HGBA COc1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 110317418 SXBRJLGYSGGDEQ-OAQYLSRUSA-N 423.469 3.101 5 50 HGBA NS(=O)(=O)c1ccc(N(CCc2ccccc2F)C2CCCC2)c([N+](=O)[O-])c1 225521087 IUIYQEQMRIJEQB-UHFFFAOYSA-N 407.467 3.373 5 50 HGBA O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2 886024656 YGJWDWMXPPFGRP-DOTOQJQBSA-N 420.469 3.206 5 50 HGBA Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1c(F)cc(F)cc1Br 826485 UODQDBBDWJZMBG-UHFFFAOYSA-N 409.574 3.433 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1[N+](=O)[O-] 3000549 REYSQXVSOSEPTE-UHFFFAOYSA-N 423.834 3.472 5 50 HGBA O=C(NCc1ccc2c(c1)OCO2)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8454226 MKMLHZKDTOKKAP-UHFFFAOYSA-N 424.457 3.375 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(COc3cccc(Cl)c3)c2)c1 6270376 DHVWUYFDCBKWTJ-UHFFFAOYSA-N 408.823 3.282 5 50 HGBA CC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)cc1 38829452 ZLDBZOAHAPHXTR-UHFFFAOYSA-N 423.432 3.043 5 50 HGBA O=c1c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc2n1OCc1ccc(Cl)cc1 2845875 SEDHYJSJXCCACD-UHFFFAOYSA-N 423.812 3.492 5 50 HGBA CC[C@@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100662739 UEUWOVCPSDEQJZ-OAHLLOKOSA-N 407.518 3.471 5 50 HGBA Cc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1I 712952 SNKJCNKBPHEDQW-UHFFFAOYSA-N 408.151 3.308 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1196961 ASTZDZDEGYVUNU-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA Cc1cccc(C)c1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1 1077408 WKTAEPDKLYFMNL-UHFFFAOYSA-N 407.426 3.280 5 50 HGBA COC(=O)c1cc(C)sc1NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 17092268 ITJBCSIIBPYUSW-UHFFFAOYSA-N 420.516 3.270 5 50 HGBA O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1cccc(I)c1 13080851 YRGSMGLSFJYRSL-UHFFFAOYSA-N 415.212 3.325 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c([N+](=O)[O-])c1 101883485 IJXXDVRLNLZFCY-IQGAEYHTSA-N 417.421 3.467 5 50 HGBA CCC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 225525796 XETYDQYOQQAYAC-UHFFFAOYSA-N 410.835 3.268 5 50 HGBA O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 2368751 SLHLMTLAOYLVEH-UHFFFAOYSA-N 419.393 3.475 5 50 HGBA CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 170618946 UMCOKQFDLBIQEL-HXUWFJFHSA-N 410.474 3.023 5 50 HGBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1-c1ccccc1 1074556 QTDAQAZBJJTTLI-UHFFFAOYSA-N 401.378 3.497 5 50 HGBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 4753790 AGKKXQXPJIFXBF-UHFFFAOYSA-N 408.349 3.286 5 50 HGBA Cc1ccc(S(=O)(=O)NCCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 4687536 ZKUDWUZHCCDJAQ-UHFFFAOYSA-N 403.382 3.312 5 50 HGBA COC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 778617 KHABTBSXMSQOHR-GQCTYLIASA-N 418.789 3.473 5 50 HGBA O=C(Oc1ccccc1NC1=NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 666724 TYZDBNFWBFPYEJ-UHFFFAOYSA-N 423.406 3.375 5 50 HGBA COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c([N+](=O)[O-])c1 16448843 IBYXMCJRKSRJHP-UHFFFAOYSA-N 412.427 3.085 5 50 HGBA CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 17091153 MVUCVZFISJZSRP-UHFFFAOYSA-N 417.531 3.399 5 50 HGBA Cc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)c(C)c1 802738 SPWFEEYDKJYKDM-UHFFFAOYSA-N 407.426 3.280 5 50 HGBA O=C(Nc1cccc2ccccc12)OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 22203856 UUNKRXAVLOSAJS-UHFFFAOYSA-N 415.427 3.275 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CC(=O)N=C(Nc2ccc(C)cc2)S1 4091115 RRGKLKJQMVMENN-MRXNPFEDSA-N 414.443 3.351 5 50 HGBA O=C1C[C@H](C(=O)N2CCCc3c(F)ccc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 760781510 HMQBNAXVSUZBKO-NSHDSACASA-N 419.359 3.344 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 2325704410 MXXKHFQKKSCXQE-UHFFFAOYSA-N 404.448 3.413 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 1772493043 UKHLKPBTNRMFRJ-FUVXTPHSSA-N 409.594 3.426 5 50 HGBA CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc21 1220353 CNSLCNXPZPHUEX-UHFFFAOYSA-N 421.409 3.404 5 50 HGBA O=C1C[C@@H](C(=O)N2CCCc3ccc(F)c(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 770382488 GCGUJFQQCZETCY-GFCCVEGCSA-N 419.359 3.344 5 50 HGBA C/C(Cl)=C/CN1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 4951505 DZUGVVXEURRXCB-DSHOFFDASA-N 408.841 3.410 5 50 HGBA O=[N+]([O-])c1ccc(OC/C=C2\Oc3ccc([N+](=O)[O-])cc3[C@H]2N2CCOCC2)cc1 19770670 OUFLODBNKFDTBL-NOLXPEPHSA-N 413.386 3.232 5 50 HGBA COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 1124180 BFSRWSBNGWMJFE-UHFFFAOYSA-N 419.459 3.030 5 50 HGBA O=C1C[C@H](C(=O)N2CCCc3ccc(F)c(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 770382492 GCGUJFQQCZETCY-LBPRGKRZSA-N 419.359 3.344 5 50 HGBA O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1111130 LMGNLWNDKUXXEW-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2[nH]1 2875974 IJJHAONOXFWGOB-UHFFFAOYSA-N 400.416 3.379 5 50 HGBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1cccc([N+](=O)[O-])c1 1172119 DBBDRHNUXYFYRW-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 2813028 FTAGTWKZPOPWKC-OVCLIPMQSA-N 418.383 3.073 5 50 HGBA CC[C@@]1(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 896635 LTZZMGVLESYPMC-UTKZUKDTSA-N 411.410 3.304 5 50 HGBA Cc1nc([C@@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])no1 170682461 MBFXSBDUGSVPIQ-GFCCVEGCSA-N 409.468 3.024 5 50 HGBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 230038833 FPTLILCQASKCBJ-LAUBAEHRSA-N 406.398 3.229 5 50 HGBA COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CCCC2 845102 LPKYVZJIVDRGBN-UHFFFAOYSA-N 412.855 3.119 5 50 HGBA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C 2908710 IAQFRHYCKUSBBT-LJQANCHMSA-N 411.414 3.187 5 50 HGBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 4192434 QTEQGCVJXJVIAE-UHFFFAOYSA-N 415.393 3.215 5 50 HGBA CCOc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 5041637 OYVWBCFLMLDGCZ-UHFFFAOYSA-N 400.435 3.356 5 50 HGBA CC(C)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2I)CCS1 170595089 RNTPRFLCAPAJLW-LBPRGKRZSA-N 420.272 3.413 5 50 HGBA CCOc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2984929 GCSRUPUOORDKJR-UHFFFAOYSA-N 414.414 3.447 5 50 HGBA O=C1NC(c2ccccc2)=N[C@@]1(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 19939297 JONNQFPDCDLQBH-INIZCTEOSA-N 421.360 3.452 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)CC1 170636552 URFSBCITBVAQPE-SFTDATJTSA-N 423.469 3.047 5 50 HGBA COC(=O)Cc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)cc2oc1=O 1758434 ZVYZBDSFJYWFQM-UHFFFAOYSA-N 413.382 3.313 5 50 HGBA biogenic Cc1cc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(N)=O)ccc1[N+](=O)[O-] 2739755 YEGLYOGRBAADRG-UHFFFAOYSA-N 405.432 3.190 5 50 HGBA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1 35352894 XNLADXUZAHSHCZ-SFHVURJKSA-N 412.471 3.349 5 50 HGBA CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)s1 253418460 QVLOCKYDOSHGSJ-QLFBSQMISA-N 408.501 3.069 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cccs3)CC2)c(C(F)(F)F)c1 9971648 VCNXSFUJPSCWLS-UHFFFAOYSA-N 421.422 3.186 5 50 HGBA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 862200 QSPQFYKPDMLXEN-UHFFFAOYSA-N 413.459 3.438 5 50 HGBA CCOc1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c([N+](=O)[O-])c1 12649325 ICFOOINYPZPRSZ-UHFFFAOYSA-N 411.374 3.399 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1073044 VLIJOKWJCRVZGF-AWEZNQCLSA-N 421.450 3.082 5 50 HGBA CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N2C(=O)CCSC2=N1 2502908 VVELYOAROWABBY-QGZVFWFLSA-N 403.460 3.444 5 50 HGBA CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)c([N+](=O)[O-])c1 4744133 BXJRJXZGCXPLEY-UHFFFAOYSA-N 421.475 3.276 5 50 HGBA O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1)OCc1ccccc1 13389108 ZXFOFXCUKUCKPN-HXUWFJFHSA-N 423.425 3.342 5 50 HGBA COc1cccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1 22289190 XZIRAAMDHDOLPA-SFHVURJKSA-N 423.347 3.033 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 2852526 LFJPYPXQBJODTL-UHFFFAOYSA-N 418.258 3.306 5 50 HGBA CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccco1 8620607 QQJGDIZGJDRJIN-UHFFFAOYSA-N 403.420 3.206 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O 16474628 UMYRLEIQECKYCF-UHFFFAOYSA-N 415.830 3.100 5 50 HGBA COC(=O)c1ccccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C 2807415 HLWQXXIBCIWUGU-UHFFFAOYSA-N 408.414 3.495 5 50 HGBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)no1 2821457 OXTGIOMNORBLHV-UHFFFAOYSA-N 416.415 3.253 5 50 HGBA Cn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccc(I)cc2c1=O 8955735 YADKQBFRFBEDQE-ZZXKWVIFSA-N 423.166 3.210 5 50 HGBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 4143363 UUKRSZSKURUMHQ-INIZCTEOSA-N 418.519 3.240 5 50 HGBA aggregator CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc(C(N)=O)c1C 2821347 CROOLVWXVDCEJW-UHFFFAOYSA-N 411.823 3.146 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cccs1 4607750 ALVGDMCSDZDMMY-UHFFFAOYSA-N 410.908 3.147 5 50 HGBA aggregator Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4580657 YCBCGRHOQPVXRO-UHFFFAOYSA-N 419.547 3.178 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1OCC(=O)NC(C)(C)C 4807924 LVLJPPPIYGLDGT-UHFFFAOYSA-N 401.419 3.149 5 50 HGBA COc1ccc([N+](=O)[O-])cc1CN(C(=O)C1CC1)S(=O)(=O)c1ccc(Cl)cc1 170619858 FRJDWPBYUBBBGH-UHFFFAOYSA-N 424.862 3.384 5 50 HGBA COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1120086 BUOLAWSNOJSKGZ-UHFFFAOYSA-N 400.431 3.441 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 4681495 XERCSJBANJOLLK-UHFFFAOYSA-N 408.502 3.017 5 50 HGBA COc1c(O)ccc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] 2744908 GXEUAJPACXWYRQ-MRXNPFEDSA-N 413.415 3.386 5 50 HGBA COc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC1CCCCC1 2905838 HKLDYGAIKDJIAO-UHFFFAOYSA-N 418.471 3.445 5 50 HGBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Br)cc2)cc1 4739210 WDNQFDUAZACUQZ-UHFFFAOYSA-N 414.281 3.138 5 50 HGBA COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 12855369 VWDOZMUMZJWFQB-UHFFFAOYSA-N 421.837 3.354 5 50 HGBA O=C(Oc1ccc(Cl)cc1C(=S)N1CCOCC1)c1cccc([N+](=O)[O-])c1 1156239 QXUIKOQOVBMNGT-UHFFFAOYSA-N 406.847 3.475 5 50 HGBA CC(C)C(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2682792 IFWUVYVUKGETIM-LLVKDONJSA-N 413.714 3.350 5 50 HGBA O=C(Nc1ccccc1Br)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4839696 CIEYEAGELNIPKS-UHFFFAOYSA-N 406.236 3.446 5 50 HGBA COc1cccc(C(=O)N2N=C(c3cccc([N+](=O)[O-])c3)C[C@@]2(O)C(F)(F)F)c1 1214369 REXPBIWIPXGUQJ-QGZVFWFLSA-N 409.320 3.105 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 169794780 LNGWEGQXRYNHGU-UHFFFAOYSA-N 409.517 3.487 5 50 HGBA CC(C)n1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100630653 RFYCTMFGEOUCBI-OAHLLOKOSA-N 401.470 3.201 5 50 HGBA O=Cc1ccccc1OC(=O)C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 936461 HPBBIFGUVAGHDO-MHZLTWQESA-N 401.318 3.139 5 50 HGBA O=[N+]([O-])c1nn(Cc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1Cl 2731205 UEJULDJTUCFNRG-UHFFFAOYSA-N 416.854 3.333 5 50 HGBA CCCOc1ccc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])c3nonc23)cc1 6636280 OAZXHHADZPEYRI-UHFFFAOYSA-N 400.391 3.213 5 50 HGBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1158981 VFXQFFOBUNGUAY-INIZCTEOSA-N 404.398 3.305 5 50 HGBA CCOC(=O)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4686119 GDQJSNIIERZGFJ-INIZCTEOSA-N 412.851 3.221 5 50 HGBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccncc2)cc1 13223424 KLQZCVAZYWVIOC-KGENOOAVSA-N 416.437 3.386 5 50 HGBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1Cc1ccco1 1156434 DADPRFQNFDMKOD-GLCVTWPJSA-N 400.390 3.060 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1 4702178 IVBSHDJJWVKWRM-UHFFFAOYSA-N 404.879 3.085 5 50 HGBA CCOC(=O)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 5041488 KQXAKFRDMKXFEE-UHFFFAOYSA-N 414.487 3.291 5 50 HGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ccc2[N+](=O)[O-])n1 9373573 AVIDLHQJALCDQU-UHFFFAOYSA-N 423.448 3.499 5 50 HGBA O=C(Nc1ccc(O)cc1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1198778 OIKRLMQAZZXZPL-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA O=c1c2cc3c(=O)n(Cc4cccnc4)ccc3nc2ccn1CCc1ccccc1 40398845 JMDQXWFMPJVXEF-UHFFFAOYSA-N 408.461 3.397 5 50 HGBA COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 217351297 PHVJOZFYTCDHBH-FGYAAKKASA-N 415.446 3.406 5 50 HGBA C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-n2ccnc2)cc1 4623917 CSZNAUMEUWTBGB-CYBMUJFWSA-N 404.382 3.378 5 50 HGBA COc1ccc(N2C(=O)[C@@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 4686631 RGCYUBISDRSNTL-RDJZCZTQSA-N 401.469 3.351 5 50 HGBA O=C(Nc1cccc([N+](=O)[O-])c1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 12648980 GEISVKREEAULSR-NFAYLAGKSA-N 412.406 3.029 5 50 HGBA O=c1c2cc3c(=O)n(Cc4ccccn4)ccc3nc2ccn1CCc1ccccc1 40398844 POXMMRWVCQPQTD-UHFFFAOYSA-N 408.461 3.397 5 50 HGBA Cc1nn(Cc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)o2)c(C)c1[N+](=O)[O-] 2781357 CCDGRUXWTIPENW-UHFFFAOYSA-N 403.483 3.088 5 50 HGBA CC(C)Oc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 5836441 GXGYYNWFHZEWBY-GZTJUZNOSA-N 408.439 3.061 5 50 HGBA CC(=O)c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2I)s1 170595226 RVNVPFDTIAGKFJ-UHFFFAOYSA-N 417.184 3.111 5 50 HGBA COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccccc2[N+](=O)[O-])cc1 944355 VLFVBVHBWLLBGO-SFHVURJKSA-N 406.402 3.123 5 50 HGBA CCOC(=O)C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 3623206 WVKJIRWVJKELSW-QGZVFWFLSA-N 410.382 3.126 5 50 HGBA O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ncc([N+](=O)[O-])s1 4756071 YXLAOIZUPAVAPI-UHFFFAOYSA-N 412.427 3.274 5 50 HGBA N=c1c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 100560188 OEAHGZLUGWRQPD-UHFFFAOYSA-N 413.481 3.174 5 50 HGBA COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])cc2F)[C@@H]1c1cnn(C(C)C)c1 328604187 ITHUPQYUXQGING-VBKZILBWSA-N 419.457 3.159 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=S)Nc1ccc(F)cc1F 16345885 FPFOUWNDNKBYFA-UHFFFAOYSA-N 413.431 3.070 5 50 HGBA CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 4818529 GUCHTICDTDIGHH-OQLLNIDSSA-N 402.384 3.454 5 50 HGBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 100987456 YHAIIFKULHAYLW-KDURUIRLSA-N 406.394 3.407 5 50 HGBA COC(=O)CSc1cc([N+](=O)[O-])cc2c1c(C1OCCO1)nn2-c1ccccc1 2601106 OLFPJRKLDRVGRL-UHFFFAOYSA-N 415.427 3.244 5 50 HGBA CC1CCN(C[C@H](CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCC(C)CC2)CC1 4776310 WHFSSAKYWSYLOQ-HXUWFJFHSA-N 423.579 3.201 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(Br)cc(C(=O)O)c1 325458523 ZRDVRMOOLOVBIH-UHFFFAOYSA-N 415.221 3.165 5 50 HGBA CCOC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3130802 ZUUXDEJXSMVTKP-VIFPVBQESA-N 415.686 3.324 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)c([N+](=O)[O-])c1 100931687 IJXXDVRLNLZFCY-SLUIBLPYSA-N 417.421 3.467 5 50 HGBA Cc1nn([C@@H](C)C(=O)Nc2nnc(CCc3ccccc3)s2)c(C)c1[N+](=O)[O-] 4809609 DASAMEDMBWTXDQ-ZDUSSCGKSA-N 400.464 3.245 5 50 HGBA COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 36038153 PHVJOZFYTCDHBH-YRPNKDGESA-N 415.446 3.406 5 50 HGBA O=C(NCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 3132842 QXKAOJNCZYJSHL-UHFFFAOYSA-N 401.375 3.260 5 50 HGBA O=C(CCc1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]1(O)C(F)(F)F 1215299 UZAGSRLMMDNPMO-GOSISDBHSA-N 407.348 3.415 5 50 HGBA Cc1c([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)nn1C 2781500 ZTEFMFFIOCLEJB-SNVBAGLBSA-N 419.507 3.200 5 50 HGBA O=[N+]([O-])c1ccccc1Nc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 3878980 VSTLQLCNUJGJCI-UHFFFAOYSA-N 413.234 3.406 5 50 HGBA biogenic O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 19790335 AOMGUHRHADAZAO-UHFFFAOYSA-N 405.454 3.471 5 50 HGBA Cc1nc2ccc(I)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 777931 RSCLZXJRIOKQJT-UHFFFAOYSA-N 407.167 3.207 5 50 HGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(I)cc1 1232263 ZTAPIPKJZHGVJV-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA O=[N+]([O-])c1ccc(NCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100030251 VIPOXTBARJIBOH-UHFFFAOYSA-N 406.311 3.234 5 50 HGBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1051067 DAKATCBXYUBVCX-UHFFFAOYSA-N 406.826 3.152 5 50 HGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610444 NFCSYOLDPPGZST-UHFFFAOYSA-N 407.361 3.485 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1[N+](=O)[O-] 2827863 ASYDURBGMMFOPS-UHFFFAOYSA-N 423.834 3.472 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Br)c2)CC1 19831879 FQOQTBGGHBCPAT-UHFFFAOYSA-N 404.264 3.315 5 50 HGBA COC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 845141 ULSRSHSQIAJTBX-SECBINFHSA-N 406.464 3.020 5 50 HGBA COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1 13961488 BHWUYDNBPCLKOD-MAUKXSAKSA-N 404.444 3.279 5 50 HGBA C[C@@H](Nc1ccc(C(=O)N(C)CCN(C)CC(F)F)cc1[N+](=O)[O-])c1ccccn1 170598412 LPGOULPQQOWFHY-CQSZACIVSA-N 421.448 3.432 5 50 HGBA O=C1OC(c2ccccc2I)=N/C1=C\c1ccc([N+](=O)[O-])o1 13597113 CGRJDODIHIUBCX-XFFZJAGNSA-N 410.123 3.137 5 50 HGBA CCOC(=O)CSCc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 253433059 RGEBDEGCTKQVRG-UHFFFAOYSA-N 406.467 3.101 5 50 HGBA C[C@@H]1CCCCN1C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5077855 VNSIQQLBKWFHKO-CQSZACIVSA-N 403.460 3.410 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1 837246 PBZMAUSOHKHKAD-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA C[C@@H](Cc1ccccc1F)C(=O)N1CC=C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 1875328286 JGKGGFMGMGMYOJ-XJKSGUPXSA-N 417.462 3.171 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 1432821 LLDXNDAQAYKMLZ-FQEVSTJZSA-N 423.425 3.268 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 755505 RUFARQSFXSCPJD-UHFFFAOYSA-N 403.460 3.458 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 808511 UGSSCUXTBXRCFL-UHFFFAOYSA-N 403.460 3.330 5 50 HGBA COc1ccc([C@H](NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 15161887 AYTVHFQFLLOYCA-HXUWFJFHSA-N 423.450 3.432 5 50 HGBA COc1cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1O 19842998 JAAYBASAFUIYJC-MRXNPFEDSA-N 413.415 3.386 5 50 HGBA COc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c2c1 4593808 PHHAZIQKYRTCGF-UHFFFAOYSA-N 403.460 3.223 5 50 HGBA COC(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C(=O)OC)c1 4771220 IPASKAXDRNCUFE-UHFFFAOYSA-N 407.766 3.465 5 50 HGBA CC[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)CCN1C(=O)[C@H]1C[C@H]2[C@@H](C1)C2(C)C 2325872308 RDMJALDGOLAKDO-SBJFKYEJSA-N 405.520 3.448 5 50 HGBA O=c1c2ccc3c(=O)n(-c4ccccc4)c(=O)c4ccc(c(=O)n1-c1ccccc1)c2c34 628961 DMKSZWVQQBWSEZ-UHFFFAOYSA-N 418.408 3.044 5 50 HGBA CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CCC2 845099 AYJHKKWVYOSEBQ-UHFFFAOYSA-N 412.855 3.119 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 16248371 QTHAYDWNVOPORZ-UHFFFAOYSA-N 418.258 3.306 5 50 HGBA CN(C)C(=O)c1cc(NC(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)ccc1F 1476230026 VXFCMMVEJZMNSL-UHFFFAOYSA-N 412.381 3.470 5 50 HGBA CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 1142988 QVBNCLCRLRLGSP-UHFFFAOYSA-N 418.258 3.161 5 50 HGBA CC(=O)c1cc(F)c(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)cc1C 1197039 MOHZXUMHYYUVHS-UHFFFAOYSA-N 403.385 3.346 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1[N+](=O)[O-] 3003497 VZEYIYFLMSZHLO-UHFFFAOYSA-N 409.807 3.082 5 50 HGBA Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)Cn1nc([N+](=O)[O-])c(Cl)c1C 2755741 AOKCWIJNOLAPMV-UHFFFAOYSA-N 420.832 3.393 5 50 HGBA COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 944354 VLFVBVHBWLLBGO-GOSISDBHSA-N 406.402 3.123 5 50 HGBA O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(C(=S)NC2CC2)CC1 13330404 FLVWMHBOWZBBQC-UHFFFAOYSA-N 424.935 3.258 5 50 HGBA COC(=O)c1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 4623263 AQAQLMVHWVAOLW-UHFFFAOYSA-N 406.464 3.327 5 50 HGBA Cc1cc(C)n(C(=O)c2cccc(Cn3cc(Br)c([N+](=O)[O-])n3)c2)n1 689098 YGNUOZSQXCMXCK-UHFFFAOYSA-N 404.224 3.104 5 50 HGBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)no1 1772151 KPYXDXOILLVWKC-UHFFFAOYSA-N 408.417 3.006 5 50 HGBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1ccccc1 1194012 PSRIEJBJRRDHSY-UHFFFAOYSA-N 411.439 3.429 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101073265 CFDWYVNTLZLSIP-ACXAXXDSSA-N 411.458 3.123 5 50 HGBA CC(C)(C)N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19228866 RAUUVAMYRMVPAF-NSHDSACASA-N 413.645 3.317 5 50 HGBA O=C1C[C@H](C(=O)N2CCCc3cccc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 751074186 UGAQTINHUAQAAJ-ZDUSSCGKSA-N 401.369 3.205 5 50 HGBA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 1053005 UCBGLAUGKGPDFP-LJQANCHMSA-N 416.459 3.054 5 50 HGBA CN1C(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2C1=O 5027998 SWGYXODAVHHGTG-UHFFFAOYSA-N 408.414 3.063 5 50 HGBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 2316049 UGRZNMHJTLNKBU-UHFFFAOYSA-N 407.404 3.276 5 50 HGBA O=C(Nc1ccc(Br)cc1C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2900245 JXJDYAPLOWXINC-UHFFFAOYSA-N 410.136 3.216 5 50 HGBA CCN(CC)C(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95682003 CAWMIAGOJJQOFU-UHFFFAOYSA-N 414.330 3.105 5 50 HGBA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1OC 100837236 JWFIHTIDURKPGM-SFHVURJKSA-N 413.455 3.097 5 50 HGBA O=C1C[C@@H](C(=O)N2CCCc3cc(F)c(F)cc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914726715 YGQVFRCWTPYVKI-GFCCVEGCSA-N 419.359 3.344 5 50 HGBA COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027929 VYUFZVUZSDPXEL-UHFFFAOYSA-N 413.411 3.034 5 50 HGBA O=C(NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 55545158 FIIHUNZIXYCFAR-UHFFFAOYSA-N 403.870 3.192 5 50 HGBA O=C1O[C@@]2(c3ccc(O)cc3Oc3cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c32)c2ccccc21 230141806 NVJAFBAQNWODCX-HXUWFJFHSA-N 422.305 3.482 5 50 HGBA Nc1ccc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)cc1[N+](=O)[O-] 408518598 PQDYYNRFTCUMCX-UHFFFAOYSA-N 407.191 3.193 5 50 HGBA CCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100642221 MCZFKNNSIVMDKF-MRXNPFEDSA-N 415.497 3.338 5 50 HGBA CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1 35352892 XNLADXUZAHSHCZ-GOSISDBHSA-N 412.471 3.349 5 50 HGBA Cc1nn(C)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1[N+](=O)[O-] 2781524 KUHWPLMOJSTEGD-JTQLQIEISA-N 419.507 3.200 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 4986499 CZJPNYQWHMICQN-QGZVFWFLSA-N 408.863 3.078 5 50 HGBA COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])N(C(C)=O)CC2 759644 FGDLKWIUDQYJBW-OAQYLSRUSA-N 416.430 3.123 5 50 HGBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(N2CCCCC2)cc1 943317 JGTXRMARBWOFGW-UHFFFAOYSA-N 422.441 3.210 5 50 HGBA CCCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100894051 SDKIKHGKGDAAHA-INIZCTEOSA-N 415.497 3.420 5 50 HGBA COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F 13943456 LKIJFFOOBPMXBK-SOFGYWHQSA-N 413.361 3.281 5 50 HGBA COc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 827420 CBDHOIWGZIXMTP-QGZVFWFLSA-N 409.320 3.213 5 50 HGBA CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc(C(N)=O)c1C 2083588 LVEXRTDVSQYNMD-UHFFFAOYSA-N 411.823 3.146 5 50 HGBA C[C@H](Cc1ccccc1F)C(=O)N1CC=C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 1875328284 JGKGGFMGMGMYOJ-CJNGLKHVSA-N 417.462 3.171 5 50 HGBA O=C(O)c1ccc(-c2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)cc1Cl 9187572 HXOAKJKRZHYZEY-ZZXKWVIFSA-N 403.734 3.166 5 50 HGBA CS/C=C/C(=O)N[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 2325871935 AGPHHXAFSJBEKL-APPUJDCNSA-N 417.512 3.257 5 50 HGBA O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1)OCc1ccccc1 2864647 ZXFOFXCUKUCKPN-FQEVSTJZSA-N 423.425 3.342 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252441210 KIPHTHYSVQAMJV-AWGMVRKYSA-N 417.573 3.270 5 50 HGBA O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 13152838 UQNMPZMKCQSVEQ-UHFFFAOYSA-N 420.425 3.403 5 50 HGBA O=C(O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2nccn2C1 1875324160 KDAIWGRLSRPTGB-GFCCVEGCSA-N 416.821 3.421 5 50 HGBA CC(C)C(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 3877975 MRTZPWBBASWJKG-LLVKDONJSA-N 413.714 3.350 5 50 HGBA O=c1c2cc3c(=O)n(C[C@@H]4CCCO4)ccc3nc2ccn1CCc1ccccc1 40398851 LERAQHPGTIXCMN-SFHVURJKSA-N 401.466 3.133 5 50 HGBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)Cc1ccccc1 4561622 ICVGYYZPGWMVHZ-CQSZACIVSA-N 409.895 3.289 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N[C@@H](Cn3cccn3)C(C)(C)C)o2)c(C)c1[N+](=O)[O-] 2781010 MYZDWLLOBZKCCW-KRWDZBQOSA-N 414.466 3.091 5 50 HGBA O=C(CN1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 222432034 RPHSVRKAPNYPTL-IPELMVKDSA-N 407.426 3.102 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 13941663 UYTYGFDERRRGIE-UHFFFAOYSA-N 417.377 3.349 5 50 HGBA COC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OC)c1C 2747519 JMTLDLUNRKYYKY-UHFFFAOYSA-N 412.807 3.444 5 50 HGBA COc1cc(-n2ccc3c(cnc4nc5ccccc5n43)c2=O)cc(OC)c1OC 22607851 NTQDHHXSGLNMBO-UHFFFAOYSA-N 402.410 3.212 5 50 HGBA COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2[N+](=O)[O-])c1 827419 CBDHOIWGZIXMTP-KRWDZBQOSA-N 409.320 3.213 5 50 HGBA COc1cccc(C(=O)N2N=C(c3cccc([N+](=O)[O-])c3)C[C@]2(O)C(F)(F)F)c1 1214367 REXPBIWIPXGUQJ-KRWDZBQOSA-N 409.320 3.105 5 50 HGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1 4687382 OLTHNIUMSNIDPF-UHFFFAOYSA-N 415.393 3.125 5 50 HGBA Cc1ncsc1CN(C)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O 241719856 QQFPMNIIIWLKCG-UHFFFAOYSA-N 407.839 3.177 5 50 HGBA COc1cc(CC(=O)N(Cc2ccccc2)[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC 2325809430 CAKNDKOJSWIWRA-IEBWSBKVSA-N 414.458 3.097 5 50 HGBA C[C@H](Nc1ccc(C(=O)N(C)CCN(C)CC(F)F)cc1[N+](=O)[O-])c1ccccn1 170598410 LPGOULPQQOWFHY-AWEZNQCLSA-N 421.448 3.432 5 50 HGBA CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1 9197195 VIDZIOOEZJYFOF-UHFFFAOYSA-N 424.910 3.191 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc([N+](=O)[O-])c1 670528 PYQMDBKZTYUHBC-UHFFFAOYSA-N 403.460 3.412 5 50 HGBA CCn1cc(Br)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2C)n1 1005655 LGWRKINMRCFORY-UHFFFAOYSA-N 412.269 3.009 5 50 HGBA COCCOC(=O)c1c(C)n(CCNc2ccc([N+](=O)[O-])cc2)c2ccc(O)cc12 4709267 ZAYSHKRRZPAGEX-UHFFFAOYSA-N 413.430 3.479 5 50 HGBA O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 896130 AIBHVSCYYROVJY-SFHVURJKSA-N 412.398 3.122 5 50 HGBA COc1ccc(N2C(=O)[C@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 4686630 RGCYUBISDRSNTL-NVXWUHKLSA-N 401.469 3.351 5 50 HGBA CSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCCC5)c(=O)c4cc3c2=O)n1 40398861 CAIOPKZYFORPKD-UHFFFAOYSA-N 422.514 3.436 5 50 HGBA COCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1OC 170595814 XGRNWGBIWWQDEN-AWEZNQCLSA-N 408.451 3.198 5 50 HGBA O=C(NCc1ccncc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 12971160 KREIAAKOZJMRLV-XSFVSMFZSA-N 402.410 3.077 5 50 HGBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc([N+](=O)[O-])ccc1OCC 2878302 SBDCNNUEDZAOFJ-LJQANCHMSA-N 411.414 3.322 5 50 HGBA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4996050 IUDPGMQCRYBWFH-AWEZNQCLSA-N 403.460 3.410 5 50 HGBA COc1cc([N+](=O)[O-])c(OC)c(-c2c(OC)c(OC)cc([N+](=O)[O-])c2OC)c1OC 2173211 OPPWGDVHPVADTA-UHFFFAOYSA-N 424.362 3.222 5 50 HGBA COc1ccc2cccc3c2c1C(=O)N(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C3=O 2900443 DFUCACAIWGAELV-UHFFFAOYSA-N 409.310 3.255 5 50 HGBA CCN(CC)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 943315 GOMICRLYTGHSAX-UHFFFAOYSA-N 410.430 3.066 5 50 HGBA O=[N+]([O-])c1ccccc1CN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 19851426 JBWBTVIPKJDTHA-UHFFFAOYSA-N 411.483 3.255 5 50 HGBA Cc1cccc(C(C)C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 2855939 OXJZAMAGIKZYTR-UHFFFAOYSA-N 405.476 3.431 5 50 HGBA CCCNC(=O)CSc1nnc(SCc2cc(O)ccc2[N+](=O)[O-])s1 253426422 ZZVXUNAMUUMPBA-UHFFFAOYSA-N 400.507 3.063 5 50 HGBA CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 866292 VCAXIVAIXAHHOG-UHFFFAOYSA-N 416.455 3.220 5 50 HGBA O=C(O)c1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13544870 JQARFDKVQLLOOI-UHFFFAOYSA-N 419.393 3.475 5 50 HGBA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 20109750 IYVAGEWTVIFIOU-SFHVURJKSA-N 405.882 3.119 5 50 HGBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1Cc1ccco1 1156432 DADPRFQNFDMKOD-YTCBPCPPSA-N 400.390 3.060 5 50 HGBA CCOC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc(C(C)=O)c1C 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CZPUJZMCCONFNV-HNNXBMFYSA-N 402.403 3.256 5 50 HGBA CCN(CC)S(=O)(=O)c1cccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 1159057 ODPHGVVZPKYQAL-UHFFFAOYSA-N 402.432 3.342 5 50 HGBA O=C1C[C@@H](C(=O)N2CCc3cccc(Cl)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 916420125 QOSRFOMNLYYUCI-GFCCVEGCSA-N 403.797 3.330 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 1772493040 UKHLKPBTNRMFRJ-DMOAXGPISA-N 409.594 3.426 5 50 HGBA COc1cc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c1O 22591667 BCTMUPBXZXWQOZ-UHFFFAOYSA-N 422.279 3.394 5 50 HGBA O=C(Nc1ccc(Br)cn1)c1ccn(COc2ccccc2[N+](=O)[O-])n1 8782608 BEJZJLJEGFBJJW-UHFFFAOYSA-N 418.207 3.238 5 50 HGBA CCOC(=O)c1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c1C 2746955 GEJSPMNKQCRGPO-UHFFFAOYSA-N 420.443 3.499 5 50 HGBA COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1 13961487 BHWUYDNBPCLKOD-QAPCUYQASA-N 404.444 3.279 5 50 HGBA COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4331724 VQMLLQBLYVBEAG-UHFFFAOYSA-N 410.474 3.449 5 50 HGBA C[C@@H](Cc1ccccc1F)C(=O)N1CC=C[C@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 1875328283 JGKGGFMGMGMYOJ-BBRMVZONSA-N 417.462 3.171 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 101289269 CRKAHVVRUAHYCR-QZTJIDSGSA-N 423.400 3.243 5 50 HGBA COc1ccccc1-n1ccc2nc3ccn(Cc4ccccn4)c(=O)c3cc2c1=O 36359914 FKRCBNHWFVAXBO-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA CC(C)(c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 33352996 XGDRLUOCCGMFEF-UHFFFAOYSA-N 408.279 3.057 5 50 HGBA 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(Cc2ccccc2)[C@H]1O 252441213 KIPHTHYSVQAMJV-TZLFFJDSSA-N 417.573 3.270 5 50 HGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 999885 DEIPPLBMZVJLAC-UHFFFAOYSA-N 410.814 3.433 5 50 HGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 8916895 HNZGYXKOXUKNJG-UHFFFAOYSA-N 420.263 3.328 5 50 HGBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1[N+](=O)[O-] 4550715 IFNSHZDVLBOHGX-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA CC[C@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100662735 UEUWOVCPSDEQJZ-HNNXBMFYSA-N 407.518 3.471 5 50 HGBA O=c1nc2ccccn2c2cc(Cl)c(S(=O)(=O)N3CCc4ccccc43)cc12 4709993 DFGMUXIOANVTSC-UHFFFAOYSA-N 411.870 3.253 5 50 HGBA COc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 2986869 XZTZOKSJYMQMEN-UHFFFAOYSA-N 400.387 3.057 5 50 HGBA CCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100642219 MCZFKNNSIVMDKF-INIZCTEOSA-N 415.497 3.338 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc2ccccc2o1 4089787 GJRMFOXADQGRGV-UHFFFAOYSA-N 410.455 3.178 5 50 HGBA Cc1nn([C@H](C)C(=O)Nc2nnc(CCc3ccccc3)s2)c(C)c1[N+](=O)[O-] 4809611 DASAMEDMBWTXDQ-CYBMUJFWSA-N 400.464 3.245 5 50 HGBA CCN1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCC5)CC1 944684 ZJCAGQPTFRTUGA-UHFFFAOYSA-N 405.527 3.088 5 50 HGBA Cc1ncc([N+](=O)[O-])n1CCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl 263616528 JGLRKOAHBXAHCU-CQSZACIVSA-N 420.684 3.414 5 50 HGBA O=C(Nc1ccc(I)c(C(=O)O)c1)c1ccc([N+](=O)[O-])cc1 16400773 MYQQKHOFDSBBMP-UHFFFAOYSA-N 412.139 3.150 5 50 HGBA O=C(NCCc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1 4844982 QKVDHBMKQASIOE-XDJHFCHBSA-N 405.410 3.318 5 50 HGBA COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12 1857526073 HWQOIKLWBXMRDS-DOYPAUKSSA-N 402.511 3.252 5 50 HGBA COC(=O)C1=CN(c2ccc(OC)cc2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1121458 PINIIDDAOCHTPB-UHFFFAOYSA-N 424.409 3.321 5 50 HGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 840861 NNPXTPAMMBPWMF-AWNIVKPZSA-N 415.471 3.421 5 50 HGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100970938 LZEPUEPGRQUISN-SLUIBLPYSA-N 417.421 3.467 5 50 HGBA O=C1C[C@H](C(=O)N2CCCc3ccc(F)cc32)CN1c1ccc(F)c([N+](=O)[O-])c1 918628547 YRTSZMNZHYAVAK-ZDUSSCGKSA-N 401.369 3.205 5 50 HGBA CC[C@@H]1CCc2c(sc3ncn4nc(Cn5cc([N+](=O)[O-])c(OC)n5)nc4c23)C1 2789831 UKCTXUWPGZPFBE-SNVBAGLBSA-N 413.463 3.016 5 50 HGBA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 239306048 GJCVLNBCDWBENC-YXUGBTPSSA-N 406.394 3.350 5 50 HGBA COc1ccc(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 1129304 WIIQGDURTPJTFF-IBGZPJMESA-N 416.430 3.110 5 50 HGBA COc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 4820648 XPYBGFXGMIOEPC-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA Cc1c(C(=O)OCc2cncc(C(F)(F)F)c2)nnn1-c1cccc([N+](=O)[O-])c1 802855808 ZOOATBVWRFDAFK-UHFFFAOYSA-N 407.308 3.255 5 50 HGBA Cc1ccc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4336306 QRKCPOFVGJZPPT-UHFFFAOYSA-N 403.382 3.312 5 50 HGBA O=C(Oc1ccccc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1229773 LALLRYFLZOWKBQ-FQEVSTJZSA-N 416.389 3.408 5 50 HGBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 4675518 ZKKHEQPRMMIYBJ-UHFFFAOYSA-N 421.475 3.195 5 50 HGBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4703766 ZRHBPQAAJNFDKN-LJQANCHMSA-N 424.501 3.457 5 50 HGBA CC(C)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2I)CCS1 170595090 RNTPRFLCAPAJLW-GFCCVEGCSA-N 420.272 3.413 5 50 HGBA O=C(NC1CCCCC1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754944 HKWZMVWTJPFESG-HXUWFJFHSA-N 421.453 3.251 5 50 HGBA COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 944352 DIWNUQMHWZCVJK-GOSISDBHSA-N 406.402 3.123 5 50 HGBA O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(CN3CCC(O)CC3)cc2)n1 170606825 KHJVUDSKJNIBPC-RTWAWAEBSA-N 413.522 3.022 5 50 HGBA COc1cccc2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 914841467 TZFZZGLMJAKSKC-CQSZACIVSA-N 413.405 3.075 5 50 HGBA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 1140395 NTEDTDFBFBLZBE-UHFFFAOYSA-N 420.878 3.212 5 50 HGBA O=C(Nc1ccccc1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1232585 JKQPZJOYYFOJSP-FQEVSTJZSA-N 415.405 3.441 5 50 HGBA COCCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2305269 XLDJFINPZYGQHZ-UHFFFAOYSA-N 403.460 3.164 5 50 HGBA CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c1O 15231071 HBDHOVUAUIPXMD-VGOFMYFVSA-N 403.778 3.450 5 50 HGBA C[C@@H]1CCCN(c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1 252457640 YMEWEXCLVRAVFZ-WBVHZDCISA-N 411.458 3.401 5 50 HGBA Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 2849614 UKWIKVJXTDYIPK-UHFFFAOYSA-N 405.476 3.088 5 50 HGBA O=C(CNCCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1 5799429 UYEQUTAKQHVLPN-UHFFFAOYSA-N 407.268 3.388 5 50 HGBA O=c1c2cc3c(=O)n(C[C@H]4CCCO4)ccc3nc2ccn1CCc1ccccc1 40398852 LERAQHPGTIXCMN-GOSISDBHSA-N 401.466 3.133 5 50 HGBA O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 1777528 LZWPWSLOVVEDKC-UHFFFAOYSA-N 410.411 3.219 5 50 HGBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC1CCCCC1 1113749 HGSCWWDBJNIGEJ-UHFFFAOYSA-N 406.442 3.421 5 50 HGBA O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4750093 KLYNXYDAKIANHR-UHFFFAOYSA-N 408.345 3.337 5 50 HGBA CCCn1cc(NC(=O)c2cccc([N+](=O)[O-])c2I)cn1 170595081 SINCYSJXAVISHE-UHFFFAOYSA-N 400.176 3.058 5 50 HGBA CCn1cc(CNC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c(C)n1 5658940 GTBJNWJMXALWLD-UHFFFAOYSA-N 412.494 3.171 5 50 HGBA Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 2866800 OYWSFTIPBFVYIQ-UHFFFAOYSA-N 405.476 3.251 5 50 HGBA Cc1cc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)ccc1[N+](=O)[O-] 2800756 GPFXKCLTTKNMNX-UHFFFAOYSA-N 415.413 3.474 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 100986555 RBDWYZDEPMUFOX-SLUIBLPYSA-N 417.421 3.467 5 50 HGBA Cc1cc(C)cc(OCC(=O)N2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)c1 170607497 JHPMJXVKMGXWIK-UHFFFAOYSA-N 401.438 3.074 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-] 2985568 QESKCKODTAEFPH-UHFFFAOYSA-N 402.432 3.079 5 50 HGBA Cc1ccccc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4089807 IFWADGDRFSNBOA-UHFFFAOYSA-N 418.906 3.394 5 50 HGBA COc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 4833862 WITBTHUOHOGYKQ-UHFFFAOYSA-N 411.414 3.399 5 50 HGBA COc1ccc(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)cc1 36358950 AXDSBSDUOXWXBM-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc(F)c1 9846247 OPKYBSLBQIYRNM-UHFFFAOYSA-N 422.869 3.224 5 50 HGBA CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N2C(=O)CCSC2=N1 2502909 VVELYOAROWABBY-KRWDZBQOSA-N 403.460 3.444 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 248012052 YQTPUYYGKCUYOL-IQGAEYHTSA-N 417.421 3.467 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100986551 RBDWYZDEPMUFOX-HZVDNRATSA-N 417.421 3.467 5 50 HGBA C[C@H]1CCCN(c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1 252457639 YMEWEXCLVRAVFZ-RDJZCZTQSA-N 411.458 3.401 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCOCC1 2841722 RBPZRRUNXSJKQJ-UHFFFAOYSA-N 416.430 3.308 5 50 HGBA CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)S(=O)(=O)c1ccc(Cl)cc1 1124381 QDUOCAOJESOXHE-UHFFFAOYSA-N 408.823 3.119 5 50 HGBA CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1[N+](=O)[O-] 1157568 SRASUXKIGKEMPT-UHFFFAOYSA-N 416.455 3.220 5 50 HGBA O=C(c1cccs1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 5073424 SXARATGIICCNJR-UHFFFAOYSA-N 404.467 3.358 5 50 HGBA COc1cccc2c1oc(=O)c1c(NC(C)=O)nc(-c3cccc([N+](=O)[O-])c3)nc12 1130443 VHOQNSNZBQQSFB-UHFFFAOYSA-N 406.354 3.278 5 50 HGBA CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)N(C)C)c1C 654581 NXZUGENOOSSOBC-UHFFFAOYSA-N 405.432 3.096 5 50 HGBA O=[N+]([O-])[C@]1(Br)[C@H]2CC[C@H]3[C@@H]2[C@@H]2[C@@H]1CC[C@H]2[C@]3(Br)[N+](=O)[O-] 257355421 APDJUJGOFIVMHZ-ROXKYUQISA-N 410.062 3.034 5 50 HGBA O=C(CN(Cc1ccccc1C(F)(F)F)C1COC1)Nc1ccccc1[N+](=O)[O-] 170597273 UEBYRFXZKSIGCO-UHFFFAOYSA-N 409.364 3.453 5 50 HGBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 2794347 XLDMPRBXMQPERM-AWEZNQCLSA-N 408.414 3.368 5 50 HGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 464020214 PJMDMWWWMGPOQH-SFHVURJKSA-N 404.511 3.023 5 50 HGBA COc1ccc(Oc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc([N+](=O)[O-])c2)cc1 2113070 KRDQXUKATINROY-UHFFFAOYSA-N 413.346 3.139 5 50 HGBA O=[N+]([O-])c1ccc(OC/C=C2\Oc3ccc([N+](=O)[O-])cc3[C@@H]2N2CCOCC2)cc1 19770669 OUFLODBNKFDTBL-DNATVEMMSA-N 413.386 3.232 5 50 HGBA O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1129712 UFERQRGTDSXHMV-KPKJPENVSA-N 401.444 3.031 5 50 HGBA O=C(Nc1cccc(C(=O)O)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 15746684 WYPHQICWPKGEEZ-GZTJUZNOSA-N 421.365 3.296 5 50 HGBA CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@H]2CC=CCC2)CC1 5316843 ZDLBNXXKDMLZMF-HNNXBMFYSA-N 402.495 3.126 5 50 HGBA world O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 18245012 CRKAHVVRUAHYCR-ROUUACIJSA-N 423.400 3.243 5 50 HGBA Cc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 1151736 KIXMAOKFFVRPHQ-GOSISDBHSA-N 407.348 3.333 5 50 HGBA O=C(Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCC2)c1ccccc1[N+](=O)[O-] 2826793 ZJWOKHVPEBZXHI-LBPRGKRZSA-N 415.471 3.306 5 50 HGBA COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)c([N+](=O)[O-])c1 14944462 ZPVBSMVWGJEYIF-UHFFFAOYSA-N 403.445 3.248 5 50 HGBA Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)[nH]c(=O)c1Cc1ccccc1 16947662 FJZXTHSFHJBYCX-UHFFFAOYSA-N 410.455 3.308 5 50 HGBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 672348 LRINVSUYYIOLHX-UHFFFAOYSA-N 403.460 3.268 5 50 HGBA CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)NC1CCN(C[C@@H]2CC=CCC2)CC1 3784384 ZDLBNXXKDMLZMF-OAHLLOKOSA-N 402.495 3.126 5 50 HGBA world Cc1ccc(C(=O)NC(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1[N+](=O)[O-] 1049943 WYRFWQNPRRUDRX-UHFFFAOYSA-N 418.906 3.394 5 50 HGBA O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 19789907 HOCCZIKLCQPBPT-UHFFFAOYSA-N 405.454 3.471 5 50 HGBA O=C(CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1 3000252 NAPVTVXQVUJCMP-UHFFFAOYSA-N 415.456 3.429 5 50 HGBA CCOC(=O)C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1cccc([N+](=O)[O-])c1 3623204 WVKJIRWVJKELSW-KRWDZBQOSA-N 410.382 3.126 5 50 HGBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4740925 GKJWJOQYPGHZCO-LJQANCHMSA-N 410.474 3.148 5 50 HGBA COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CC[C@@H](C(C)(C)C)C2 1178716 ODVHPLMHGKDEOC-LLVKDONJSA-N 420.491 3.429 5 50 HGBA CC(=O)c1ccc(N2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)c(F)c1 1097334 UTDNZBZVFBSKRQ-UHFFFAOYSA-N 407.348 3.177 5 50 HGBA Cc1ccc(S(=O)(=O)Nc2ccccc2I)cc1[N+](=O)[O-] 3833487 OPAYZYSFVKQBHX-UHFFFAOYSA-N 418.212 3.309 5 50 HGBA Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 1172305 BWADARHCJZPUAL-UHFFFAOYSA-N 403.460 3.330 5 50 HGBA CCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 855167 HLTBQYVTVIEEAF-GOSISDBHSA-N 424.500 3.438 5 50 HGBA CC1(C)CC(=O)C(C(c2ccc([N+](=O)[O-])o2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 136979631 YOYGWDKRXZSJGO-UHFFFAOYSA-N 403.431 3.420 5 50 HGBA O=[N+]([O-])c1c(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc2nonc12 22589864 VRTPJWUTSVQCLM-UHFFFAOYSA-N 418.416 3.132 5 50 HGBA O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1n[nH]c([N+](=O)[O-])c1Cl 17091653 QGVKCRUVUQSKFS-UHFFFAOYSA-N 418.694 3.025 5 50 HGBA COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 170604985 KAXGEHOSPJINHU-JTQLQIEISA-N 414.386 3.041 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 441926403 ZYCLTHKQBQRVIK-KSSFIOAISA-N 416.503 3.103 5 50 HGBA CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2064403 NRKSSCZQWGIBFW-UHFFFAOYSA-N 417.443 3.297 5 50 HGBA O=c1nc2sccn2c2cc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])cc12 4709612 GJWTZQVFVWVYLP-UHFFFAOYSA-N 407.455 3.144 5 50 HGBA O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 328602295 AYMNDQDXZUYMKA-MPBGBICISA-N 418.400 3.402 5 50 HGBA Cc1ccccc1COn1c(=O)c(-c2cccc([N+](=O)[O-])c2)[n+]([O-])c2ccccc21 2845024 RICBEQJRMTVYKB-UHFFFAOYSA-N 403.394 3.147 5 50 HGBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(OC)cc1Cl 8738489 FBFHFQCALYMYLY-UHFFFAOYSA-N 421.837 3.354 5 50 HGBA O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1107045 PEPCXSIDVXVYCI-UHFFFAOYSA-N 403.460 3.458 5 50 HGBA CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1O 4831853 BIPYPKWIQGCNBG-UHFFFAOYSA-N 413.459 3.233 5 50 HGBA COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4834063 QMWQSFZKYAKYEQ-UHFFFAOYSA-N 400.387 3.138 5 50 HGBA O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 9720974 LGWPMYHGQJENGE-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA CCOC(=O)C1=C(CN(C(C)C)C(C)C)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 55246624 AHUHMRQRLZOEJP-IBGZPJMESA-N 418.494 3.227 5 50 HGBA O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 1093219 NVQAZAVLVRBZNO-UHFFFAOYSA-N 420.878 3.212 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 1137495 DJGIUIMZVFAPPS-UHFFFAOYSA-N 409.851 3.285 5 50 HGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccc(F)c4)CC3)ccc2[N+](=O)[O-])n1 8690074 YDXLMCQTHQGLGZ-UHFFFAOYSA-N 423.448 3.499 5 50 HGBA CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)S(=O)(=O)c1ccccc1 4188680 WAGUZILONSGUTI-UHFFFAOYSA-N 400.460 3.266 5 50 HGBA COc1ccc(N2C(=O)[C@@H]3CS[C@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 4686629 RGCYUBISDRSNTL-DOTOQJQBSA-N 401.469 3.351 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cccc(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 1149438 ITKQSNOIUNAMKU-UHFFFAOYSA-N 417.365 3.018 5 50 HGBA O=C(CSc1nnc(NC(=O)c2ccccc2)s1)Nc1cccc([N+](=O)[O-])c1 2998846 NOJURVFOQLXWOK-UHFFFAOYSA-N 415.456 3.429 5 50 HGBA CC(C)COc1ccc(-c2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 26687531 YQKPFKRRBIUPTD-WOJGMQOQSA-N 422.466 3.309 5 50 HGBA COc1c([N+](=O)[O-])cc2oc3cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c3c2c1[N+](=O)[O-] 104250760 HPHIYTMGOFDEKQ-UHFFFAOYSA-N 408.235 3.236 5 50 HGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Br)cn1 1183023 JZOBEUNFPUTODB-QPJJXVBHSA-N 407.249 3.279 5 50 HGBA O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc2c(c1)OCO2 16361445 SBVHCIICKTVMGU-UHFFFAOYSA-N 424.232 3.213 5 50 HGBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 819725 CSYIHAJAMFENCL-ZDUSSCGKSA-N 419.231 3.454 5 50 HGBA Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 1172228 AQLJVVNZUYBKLT-UHFFFAOYSA-N 403.460 3.330 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 441926405 ZYCLTHKQBQRVIK-RDTXWAMCSA-N 416.503 3.103 5 50 HGBA CSCC[C@@H](NC(=O)Cn1ccc2c([N+](=O)[O-])cccc21)c1nnc2ccccn12 206241153 FHBQCDXCWJNMGI-OAHLLOKOSA-N 424.486 3.203 5 50 HGBA COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c([N+](=O)[O-])c1 4845987 RKMQRUBDQMYWGT-UHFFFAOYSA-N 419.459 3.030 5 50 HGBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 4551469 IBTQLIDRTSHYQX-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA CCOC(=O)c1sc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C(=O)OCC)c1C 2801099 IJLNZXCCYDKUNB-UHFFFAOYSA-N 420.443 3.499 5 50 HGBA COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 2861844 VOHCIYHLKOBESX-UHFFFAOYSA-N 411.370 3.466 5 50 HGBA CCOC(=O)[C@@H]1CS[C@@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 35636015 ZVYIJXLMBWCGHP-OALUTQOASA-N 402.472 3.311 5 50 HGBA in-vitro O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2cccc3ccccc23)CC1 19851299 GKTKKLZGWJJYGJ-UHFFFAOYSA-N 411.483 3.255 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)c1 6270373 MSQVFCUROBQDDD-UHFFFAOYSA-N 410.814 3.433 5 50 HGBA CCc1nc2ccccc2n2c(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3c12 1131416 UADZHONBLBAWJY-UHFFFAOYSA-N 414.465 3.276 5 50 HGBA CNc1cc(N2CCN(C(=O)c3cccc(Br)c3)CC2)ccc1[N+](=O)[O-] 6288119 OVRGJRVEPXXOPK-UHFFFAOYSA-N 419.279 3.361 5 50 HGBA CC(C)n1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100630652 RFYCTMFGEOUCBI-HNNXBMFYSA-N 401.470 3.201 5 50 HGBA CCc1cc(=Nc2cn(C)nc2OCC(F)(F)F)nc(-c2ccc([N+](=O)[O-])cc2)[nH]1 2325861845 AFMNKEXZGLDUFM-UHFFFAOYSA-N 422.367 3.454 5 50 HGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100970937 LZEPUEPGRQUISN-HZVDNRATSA-N 417.421 3.467 5 50 HGBA Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 2779376 YZEYNICYRRMDQQ-UHFFFAOYSA-N 405.458 3.110 5 50 HGBA O=C(Nc1sc2c(c1C(=O)NC[C@H]1CCCO1)CCC2)c1ccccc1[N+](=O)[O-] 1124125 ZJWOKHVPEBZXHI-GFCCVEGCSA-N 415.471 3.306 5 50 HGBA COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 240668561 HNKOZKAQDUDYED-NBCNXNJRSA-N 418.493 3.487 5 50 HGBA O=C1[C@H]2[C@H](C(=O)N1c1ccc(O)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 658163 PBPQYRUFENEUCY-YQORSWRPSA-N 412.401 3.177 5 50 HGBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@@H]4CCCO4)c3)CC2)cc1 4688166 RDOPJPHZUJBBIQ-FQEVSTJZSA-N 424.501 3.457 5 50 HGBA O=C(/C=C/c1ccco1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 9846250 LFSVKRONCMWVGM-GQCTYLIASA-N 420.878 3.078 5 50 HGBA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C 1182262 MCWWTJISCJBDPV-QGZVFWFLSA-N 401.444 3.412 5 50 HGBA CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 4686121 GDQJSNIIERZGFJ-MRXNPFEDSA-N 412.851 3.221 5 50 HGBA COCCNC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 2308573 COZDUTLPKVMHMC-UHFFFAOYSA-N 403.460 3.164 5 50 HGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)Cc1ccccc1 4687552 BYOSTMUBXYMLDW-UHFFFAOYSA-N 403.382 3.145 5 50 HGBA COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1167394 NFSMGAOJOVTQRA-VGOFMYFVSA-N 403.778 3.016 5 50 HGBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1138120 GQPPNIXWZYGFGM-KPKJPENVSA-N 403.460 3.324 5 50 HGBA COc1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 5041700 KJUKOJHDWSRCEL-UHFFFAOYSA-N 402.476 3.131 5 50 HGBA CCOC(=O)[C@@H]1CS[C@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 35636011 ZVYIJXLMBWCGHP-RBUKOAKNSA-N 402.472 3.311 5 50 HGBA in-vitro CCc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4811120 GDUWJRBBODBBOQ-UHFFFAOYSA-N 414.487 3.121 5 50 HGBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1C(F)(F)F 943313 ISTODSOHEZMBAN-UHFFFAOYSA-N 407.304 3.238 5 50 HGBA COc1ccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)cc1 36365091 RRFNSXYSNXWZHI-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 2844582 ZNJSOJUKHPPOKN-UHFFFAOYSA-N 405.476 3.431 5 50 HGBA CCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100627812 VVCBVVVSMOBCJF-OAHLLOKOSA-N 401.470 3.030 5 50 HGBA O=C(c1ccc(F)cc1Br)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 170631653 CXCLUSZPQXNROP-LLVKDONJSA-N 409.215 3.218 5 50 HGBA COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 13154605 PHVJOZFYTCDHBH-IYWMVGAKSA-N 415.446 3.406 5 50 HGBA O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])o1 29747838 YDNKNLRLWFNANL-JXAWBTAJSA-N 407.430 3.237 5 50 HGBA CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)s1 253418456 QVLOCKYDOSHGSJ-ILXRZTDVSA-N 408.501 3.069 5 50 HGBA O=C1c2ccccc2C(=O)N1CC(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 934332 VPELPMAMFFLDPW-UHFFFAOYSA-N 415.405 3.424 5 50 HGBA O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 828335 LQNCJEJMUDQJQJ-NSHDSACASA-N 404.220 3.349 5 50 HGBA NNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 25781561 MEUCHQDLZYLNQY-UHFFFAOYSA-N 421.434 3.129 5 50 HGBA in-vitro CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 13546557 NHBPXALMWFQPGC-OVCLIPMQSA-N 417.805 3.406 5 50 HGBA Cc1cc(I)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1230655 CANWUMPXHLHSFZ-UHFFFAOYSA-N 418.212 3.309 5 50 HGBA O=C(O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1234970 RSKKIIOBPZIHBA-UHFFFAOYSA-N 416.345 3.325 5 50 HGBA COc1cccc(-n2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)c1 38829134 BCGHZQDOVSPKSI-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA O=C(NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1ccccc1F 5064696 JRRPVQRWFDBYAJ-UHFFFAOYSA-N 401.442 3.068 5 50 HGBA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1 971855 IUZNAHLWODPFHT-UHFFFAOYSA-N 402.838 3.169 5 50 HGBA CCCC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878014 YXOAGXRBNQCAEX-NSHDSACASA-N 413.714 3.494 5 50 HGBA O=C(N[C@H](NCc1ccccn1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19833080 HFSPHPDQCJHQQH-AWEZNQCLSA-N 403.653 3.206 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CC(=O)N=C(Nc2ccc(C)cc2)S1 4091116 RRGKLKJQMVMENN-INIZCTEOSA-N 414.443 3.351 5 50 HGBA CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N2C(=O)CSC2=N1 4906867 CWIHDRWEGLPXTQ-GOSISDBHSA-N 408.439 3.494 5 50 HGBA COc1nn([C@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1[N+](=O)[O-] 2788903 FUWGAJWLNYVFKO-NXEZZACHSA-N 413.463 3.186 5 50 HGBA O=C(O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2nccn2C1 1875324161 KDAIWGRLSRPTGB-LBPRGKRZSA-N 416.821 3.421 5 50 HGBA CC1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1 839653 QPHVUQATCAAKNO-UHFFFAOYSA-N 417.487 3.049 5 50 HGBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 2082244 PRSGHGJPXZJJBT-LLVKDONJSA-N 419.507 3.050 5 50 HGBA CC(C)(C)OC(=O)[C@](C)(O)CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] 447671942 OAGYBVYJBWKIRL-CYBMUJFWSA-N 415.315 3.149 5 50 HGBA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C 2058767 OPFKYNWZMSLJHN-IBGZPJMESA-N 411.414 3.187 5 50 HGBA COc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C(=O)O)cc1OC 2877345 ZUJAPMWVLWIVIA-UHFFFAOYSA-N 406.416 3.182 5 50 HGBA CCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 2983677 YZNFGOLEUGMDTA-UHFFFAOYSA-N 417.443 3.297 5 50 HGBA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1[N+](=O)[O-] 2080138 ADZVMYNHHILLHA-UHFFFAOYSA-N 418.456 3.413 5 50 HGBA O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 15922395 AHGVMBNATNCRTK-XMHGGMMESA-N 424.413 3.286 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)c([N+](=O)[O-])c1 100931684 IJXXDVRLNLZFCY-HZVDNRATSA-N 417.421 3.467 5 50 HGBA O=C(Nc1ccc(C(=O)O)cc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 2956488 YQWGMVMGLFRKID-SFQUDFHCSA-N 421.365 3.296 5 50 HGBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 4616486 FXXKYYLAIPVWGX-UHFFFAOYSA-N 417.487 3.197 5 50 HGBA CCOC(=O)[C@H]1CS[C@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 35636013 ZVYIJXLMBWCGHP-RTBURBONSA-N 402.472 3.311 5 50 HGBA in-vitro O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(CN3CCC(O)CC3)cc2)n1 170606827 KHJVUDSKJNIBPC-NHCUHLMSSA-N 413.522 3.022 5 50 HGBA Cc1cc([N+](=O)[O-])nn1Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 1177965 XXHPTSJCIDIMMD-UHFFFAOYSA-N 412.377 3.083 5 50 HGBA Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13582229 TUHGGHNGNPMCAZ-DAYGRLMNSA-N 423.347 3.007 5 50 HGBA N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 100810843 IMDPQLRIJRHCME-UHFFFAOYSA-N 417.469 3.157 5 50 HGBA COc1ccccc1N1CCN(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CC1 1143592 WAYSXSPPLWBABR-UHFFFAOYSA-N 410.518 3.390 5 50 HGBA COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCOCC2)cc1OC 820029 PHFPIKQIKVSKGR-UHFFFAOYSA-N 400.431 3.090 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)cc1OC 2835643 PWGWMHSKASZULZ-UHFFFAOYSA-N 411.823 3.098 5 50 HGBA O=C(Nc1nccs1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2368660 VLXNECIZVQHAJO-UHFFFAOYSA-N 404.429 3.104 5 50 HGBA COc1ccc(N2C(=O)[C@H]3CS[C@@H](c4cccc([N+](=O)[O-])c4)N3C2=S)cc1 4686632 RGCYUBISDRSNTL-WBVHZDCISA-N 401.469 3.351 5 50 HGBA CCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4759766 WBWRVRKBFUAEJS-UHFFFAOYSA-N 412.446 3.422 5 50 HGBA CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl 328596069 QLHWXCYUZJUAKN-UHFFFAOYSA-N 418.258 3.404 5 50 HGBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1 2786140 IONGNRYPCANHFG-UHFFFAOYSA-N 408.340 3.327 5 50 HGBA O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5027828 QISXLWDLGXMLQO-UHFFFAOYSA-N 403.460 3.458 5 50 HGBA O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4899459 CJERUMAUMMIPRF-FQEVSTJZSA-N 405.410 3.280 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2868762 BPVWFSWHRBKZFX-UHFFFAOYSA-N 403.460 3.330 5 50 HGBA Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 4983797 XIMUJPZVOZELGN-UHFFFAOYSA-N 409.895 3.376 5 50 HGBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C 2997482 CUDLNHUPHPANHK-UHFFFAOYSA-N 422.415 3.189 5 50 HGBA O=C(CS[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 100289063 WDNNQFFDNZUMRR-OAHLLOKOSA-N 419.846 3.252 5 50 HGBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1143193 HBUQHERWHXDQST-MRXNPFEDSA-N 404.398 3.305 5 50 HGBA COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)cc1Br 850484 GPXBVUSFLANNCZ-UHFFFAOYSA-N 417.237 3.175 5 50 HGBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 4619223 PFWRBJAJGOVKOO-UHFFFAOYSA-N 403.382 3.145 5 50 HGBA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 239339261 LXJDECQUUSHPCJ-MBZVMHRFSA-N 406.394 3.350 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)cc2)c(C)c1[N+](=O)[O-] 241301062 LQAKGEDGRHSJJF-DFQSSKMNSA-N 412.490 3.342 5 50 HGBA O=C1c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2C(=O)N1c1ccccc1 873015 MDFLMTAYJBPCMF-UHFFFAOYSA-N 413.345 3.196 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 2888501 VRUDKWKAWNJVQI-CQSZACIVSA-N 421.475 3.013 5 50 HGBA O=C(COc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125301 LHLQJLSWTXDECG-UHFFFAOYSA-N 424.501 3.313 5 50 HGBA CC[C@@]1(C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 878831 IZPUYYLMWMIFCM-UWJYYQICSA-N 411.410 3.304 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1 2856287 UUEWQWBRMPWYCP-UHFFFAOYSA-N 417.365 3.018 5 50 HGBA COc1nn([C@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1[N+](=O)[O-] 2788902 FUWGAJWLNYVFKO-VHSXEESVSA-N 413.463 3.186 5 50 HGBA O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 4065361 XELXCQGCJBZDBR-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA O=[N+]([O-])c1cc(Cl)c(F)cc1OCc1ccc(S(=O)(=O)N2CCCC2)o1 242047841 VQOLHQCLSGXYOK-UHFFFAOYSA-N 404.803 3.344 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 170636548 URFSBCITBVAQPE-NHCUHLMSSA-N 423.469 3.047 5 50 HGBA O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1Cc1ccccc1 230050462 DWEUHKZXUGFAPK-PGRDOPGGSA-N 420.425 3.225 5 50 HGBA CNc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)ccc1[N+](=O)[O-] 9087232 AAAQDWVCTQPJQO-UHFFFAOYSA-N 419.279 3.361 5 50 HGBA O=C(COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Br)cc1 1313698 RQJVLWXWXREXNH-UHFFFAOYSA-N 409.148 3.305 5 50 HGBA O=c1c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc2n1OCc1ccccc1[N+](=O)[O-] 2864179 USRYGRYPGWLTQB-UHFFFAOYSA-N 423.812 3.492 5 50 HGBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4703765 ZRHBPQAAJNFDKN-IBGZPJMESA-N 424.501 3.457 5 50 HGBA CC[C@]1(C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1(C(=O)OC)C(=O)OC 878828 IZPUYYLMWMIFCM-DYESRHJHSA-N 411.410 3.304 5 50 HGBA CCCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2829083 WNBVJJFRZYLTER-KPKJPENVSA-N 403.460 3.325 5 50 HGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4cccs4)CC3)ccc2[N+](=O)[O-])n1 4143601 BZLCIASPDKEICF-UHFFFAOYSA-N 411.487 3.421 5 50 HGBA O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1 878053 JYUYWIWWCWTEHE-UHFFFAOYSA-N 418.438 3.456 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 2871860 VBSNQWHCRREONV-CQSZACIVSA-N 421.475 3.013 5 50 HGBA COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15010596 WXILQFZFOUIXOT-SXGWCWSVSA-N 414.395 3.228 5 50 HGBA Cc1csc(Sc2ccc(C(=O)NC[C@H](C)c3ncon3)cc2[N+](=O)[O-])n1 1875303185 ADIMMYPFRMPVHW-VIFPVBQESA-N 405.461 3.427 5 50 HGBA Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915412 TUHGGHNGNPMCAZ-RLFYNMQTSA-N 423.347 3.007 5 50 HGBA O=C(Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 247333628 PRLPYKHNRWKELD-YXUGBTPSSA-N 404.378 3.126 5 50 HGBA O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc2cccnc12 2751218 PBNBSRDPLOEUJS-UHFFFAOYSA-N 407.382 3.288 5 50 HGBA Cc1nn(Cc2ccc(F)cc2)c(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 2762844 BRFRNNRNIWKASG-UHFFFAOYSA-N 404.423 3.396 5 50 HGBA CCCNC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3291804 QKHNICJTZLIACS-UHFFFAOYSA-N 404.806 3.162 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 13857596 CRKAHVVRUAHYCR-HDICACEKSA-N 423.400 3.243 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1[N+](=O)[O-] 2236001 MEYKUBMIUVUWOH-UHFFFAOYSA-N 409.807 3.082 5 50 HGBA CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 2884823 ZXBXLXJBMXBAJB-UHFFFAOYSA-N 402.432 3.244 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252461077 KIPHTHYSVQAMJV-UAPVURFZSA-N 417.573 3.270 5 50 HGBA biogenic O=C(c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12)N1CCc2ccnc(O)c2C1 427789534 MWGQXMYLKTUGFS-UHFFFAOYSA-N 407.376 3.259 5 50 HGBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(O)cc1 658166 PBPQYRUFENEUCY-ISQHLFTMSA-N 412.401 3.177 5 50 HGBA Cc1ccc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1[N+](=O)[O-] 4247939 WONDFDXNDHDJGI-UHFFFAOYSA-N 409.427 3.414 5 50 HGBA COc1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1799318 FXWMNZISNOXFDT-UHFFFAOYSA-N 419.440 3.145 5 50 HGBA Cc1ncc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccc(Cl)cc1Cl 3066939 KPAYZZFSECLSTH-UHFFFAOYSA-N 403.247 3.138 5 50 HGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1OC 4457586 BIDWPCBIZAZCNQ-UHFFFAOYSA-N 405.838 3.228 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 1150816 UKVGOXDHDPQYJE-UHFFFAOYSA-N 415.393 3.125 5 50 HGBA O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 101321487 JTDISTKAIXMLIC-BIPCEHGGSA-N 404.378 3.126 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)cc1[N+](=O)[O-] 3001262 XCEUBSIIWZHEFD-UHFFFAOYSA-N 409.807 3.082 5 50 HGBA COc1ccc(Cn2ccc3nc4ccn(Cc5ccccn5)c(=O)c4cc3c2=O)cc1 40398797 YMQPXVAZTABKTL-UHFFFAOYSA-N 424.460 3.212 5 50 HGBA O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1CCC2(C1)OCCO2 170623255 UZSHRMAGHIBDKG-UHFFFAOYSA-N 417.849 3.449 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 441926400 ZYCLTHKQBQRVIK-KBXCAEBGSA-N 416.503 3.103 5 50 HGBA O=C(N[C@@H](NCc1ccccn1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19833082 HFSPHPDQCJHQQH-CQSZACIVSA-N 403.653 3.206 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 662974 NJBGOMYMJXCUOM-KRWDZBQOSA-N 401.375 3.054 5 50 HGBA CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 1145516 YDKJMIFBCHPHHK-DHDCSXOGSA-N 402.384 3.454 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1 4724901 DEMHEOFCKITRMV-VMPITWQZSA-N 424.501 3.263 5 50 HGBA O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(CN3CCC(O)CC3)cc2)n1 170606826 KHJVUDSKJNIBPC-SFTDATJTSA-N 413.522 3.022 5 50 HGBA O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)N1CCOCC1 16213802 MHCQRSCBYNILHQ-KTKRTIGZSA-N 404.426 3.320 5 50 HGBA CCC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 2851455 YAZLYXZFWUICEY-HNNXBMFYSA-N 405.476 3.095 5 50 HGBA COc1ccc(C(=O)NC[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1134172 LUHSOLYGWKJKOR-INIZCTEOSA-N 402.447 3.071 5 50 HGBA C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1165068 CQQHHHHXNYOSEP-AWEZNQCLSA-N 403.460 3.410 5 50 HGBA CCN(CC)S(=O)(=O)c1cc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1F 2325899545 JNWPWTAPXMCMSM-UHFFFAOYSA-N 410.427 3.408 5 50 HGBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccncc1 9494804 LSMPIHUKXDBSIT-UHFFFAOYSA-N 414.447 3.008 5 50 HGBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 16267535 YHAIIFKULHAYLW-OALUTQOASA-N 406.394 3.407 5 50 HGBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCCC1 1170072 WTURAUQKYOBPOH-UHFFFAOYSA-N 417.487 3.193 5 50 HGBA Cc1c(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2873907 FPNBTZHPYDYVKX-UHFFFAOYSA-N 415.830 3.100 5 50 HGBA Cc1n[nH]c(-n2ccc3nc4ccn(CCC5=CCCCC5)c(=O)c4cc3c2=O)n1 36357093 XUHQQELOWJSOSF-UHFFFAOYSA-N 402.458 3.018 5 50 HGBA CC(C)(C)C(=O)COC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1166529 NZVHDOYRWCIHRZ-UHFFFAOYSA-N 410.382 3.167 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)CC1 170636551 URFSBCITBVAQPE-LEWJYISDSA-N 423.469 3.047 5 50 HGBA O=C1NC(c2ccccc2)=N[C@]1(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F 19939295 JONNQFPDCDLQBH-MRXNPFEDSA-N 421.360 3.452 5 50 HGBA COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 1152192 IUQGXMQYGXRRDW-UHFFFAOYSA-N 412.373 3.452 5 50 HGBA COc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 1799317 RCKQQVPXCRPOQR-UHFFFAOYSA-N 419.440 3.145 5 50 HGBA O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ncc([N+](=O)[O-])s1 16677497 AYXXJUFMHSOPJS-UHFFFAOYSA-N 420.362 3.020 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](CC(C)C)N1C(=O)c2ccccc2C1=O 951461 QMESYSVTHHTWPB-KRWDZBQOSA-N 411.414 3.253 5 50 HGBA CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2cc([N+](=O)[O-])ccc21 15016804 LYAZIDASBICNOL-SFHVURJKSA-N 419.231 3.184 5 50 HGBA CCOC(=O)c1c(NC(=O)[C@H](C)n2nc(C)c([N+](=O)[O-])c2C)sc(C(C)=O)c1C 16474730 AGUCPBBPVBJLLC-NSHDSACASA-N 422.463 3.357 5 50 HGBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4619006 COALAJMVVAMTDI-INIZCTEOSA-N 402.403 3.338 5 50 HGBA Cc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1C 1075319 VWZBGJXVXKXYPM-UHFFFAOYSA-N 407.426 3.280 5 50 HGBA COc1ccc(S(=O)(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc1F 15276442 AXBCEPVAQBGMQW-UHFFFAOYSA-N 417.846 3.176 5 50 HGBA Cc1nc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Br 16249902 SZTSFPSPUPZFJG-UHFFFAOYSA-N 421.251 3.150 5 50 HGBA CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)c1 448114464 UHNCPDJAQPFNAN-UHFFFAOYSA-N 414.443 3.482 5 50 HGBA CCOC(=O)c1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc(C(=O)OC)c1C 2761644 PMSQGBNUQFEGMA-UHFFFAOYSA-N 406.416 3.109 5 50 HGBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc([N+](=O)[O-])ccc1OCC 2878301 SBDCNNUEDZAOFJ-IBGZPJMESA-N 411.414 3.322 5 50 HGBA CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCCC1 4511540 SFFYGKQPCAYPFO-VQHVLOKHSA-N 401.419 3.462 5 50 HGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)cc1 13880564 XMOSKEBAPAPKJJ-CQSZACIVSA-N 409.895 3.456 5 50 HGBA CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])sc2c1 2828981 MPIHACPXYYCICD-RMKNXTFCSA-N 403.441 3.260 5 50 HGBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1439919199 MCJJMVHVAXKQEI-UHFFFAOYSA-N 413.817 3.476 5 50 HGBA O=C(c1ccsc1)N1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 436313296 BMCMTURTAFYGHS-UHFFFAOYSA-N 400.382 3.423 5 50 HGBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC[C@H]4CCCO4)c3)CC2)cc1 4688168 RDOPJPHZUJBBIQ-HXUWFJFHSA-N 424.501 3.457 5 50 HGBA CC1(C)Cc2c(cnn2-c2ccccc2Cl)CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C1 952893421 MAWUILACSLMYHQ-UHFFFAOYSA-N 414.853 3.382 5 50 HGBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 4819686 FYIBOGZTZPUMJG-UHFFFAOYSA-N 421.475 3.195 5 50 HGBA COCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C(C)C)N2CCC(C)CC2)cc1OC 170595917 BXKFDZGKAMEMGI-SFHVURJKSA-N 423.510 3.072 5 50 HGBA Nn1c(SCc2csc(-c3ccc([N+](=O)[O-])cc3)n2)nc2ccccc2c1=O 4744061 GBXWDFVVXWPHPV-UHFFFAOYSA-N 411.468 3.434 5 50 HGBA CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OC)c1C 1200115 PIQVIGWDJBFSHD-UHFFFAOYSA-N 419.459 3.486 5 50 HGBA CC(=O)Nc1ccc(NC(=O)[C@H](C)n2nc([N+](=O)[O-])c(Br)c2C)cc1 1069424 RRFVBFAOEFXWHG-VIFPVBQESA-N 410.228 3.020 5 50 HGBA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc([N+](=O)[O-])s2)NC(=O)N1C 1182263 MCWWTJISCJBDPV-KRWDZBQOSA-N 401.444 3.412 5 50 HGBA COc1ccc(C(=O)NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 1134171 LUHSOLYGWKJKOR-MRXNPFEDSA-N 402.447 3.071 5 50 HGBA CCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21 100677071 UADWTOILLFGYNM-UHFFFAOYSA-N 407.518 3.300 5 50 HGBA COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 1195713 PBOMFAMBMHTMKV-KRWDZBQOSA-N 410.473 3.048 5 50 HGBA Cn1c(=O)c(COC(=O)c2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc2ccccc21 1875255000 HRCCGHLSNFVJQN-UHFFFAOYSA-N 404.382 3.194 5 50 HGBA O=C(c1ccc(Br)cc1)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4818922 FESBEVKBQDROGD-UHFFFAOYSA-N 408.227 3.459 5 50 HGBA CCOCN1C(C)=C(C(=O)O)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C 2546528 QGMIHHWHFXKWNT-SFHVURJKSA-N 404.419 3.184 5 50 HGBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1Br 52537604 ODKWPKQRTXSSIY-UHFFFAOYSA-N 419.279 3.118 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc2)c(C)c1[N+](=O)[O-] 170636567 LQAKGEDGRHSJJF-SXLOBPIMSA-N 412.490 3.342 5 50 HGBA CCNS(=O)(=O)c1ccc(COc2ccc3nc4ccc(=O)cc-4oc3c2)cc1 1775953426 AARVTLIQNGAELZ-UHFFFAOYSA-N 410.451 3.170 5 50 HGBA CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1 4565060 WPQFVYRRKJKREH-UHFFFAOYSA-N 418.471 3.226 5 50 HGBA CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778922 RBYQTSLAIIOGSU-VXGBXAGGSA-N 424.841 3.363 5 50 HGBA COc1cccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)c1 1214356 WZJXFVAECMCFGP-QGZVFWFLSA-N 409.320 3.105 5 50 HGBA O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccs1 4998756 CNIGBTUTULUDBP-UHFFFAOYSA-N 410.908 3.147 5 50 HGBA aggregator O=C(Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1)c1cccc([N+](=O)[O-])c1 101321491 JTDISTKAIXMLIC-OYUDYFSCSA-N 404.378 3.126 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252461075 KIPHTHYSVQAMJV-KNGWTEOBSA-N 417.573 3.270 5 50 HGBA biogenic C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1165069 CQQHHHHXNYOSEP-CQSZACIVSA-N 403.460 3.410 5 50 HGBA COc1cc(NC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)ccc1OC(F)F 2795416 FILJBZMMWMLAAT-UHFFFAOYSA-N 419.344 3.097 5 50 HGBA COc1cccc(C(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 2995822 UHDGJTXOJLBTML-UHFFFAOYSA-N 400.387 3.138 5 50 HGBA COc1ccc(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1OC 1129305 WIIQGDURTPJTFF-LJQANCHMSA-N 416.430 3.110 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 2814704 LXTFQATVFYADAB-UHFFFAOYSA-N 410.864 3.491 5 50 HGBA Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915414 TUHGGHNGNPMCAZ-HDMKZQKVSA-N 423.347 3.007 5 50 HGBA CCOC(=O)C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 95713162 CMVIALRRHVVWIW-UHFFFAOYSA-N 420.290 3.014 5 50 HGBA in-vitro O=C1C[C@@H](C(=O)N2CCCc3c(F)ccc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 760781506 HMQBNAXVSUZBKO-LLVKDONJSA-N 419.359 3.344 5 50 HGBA O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1155219 CNWBWBSLTSHVHS-NSHDSACASA-N 404.220 3.349 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1 1138289 KGSYMGXQQPMULH-UHFFFAOYSA-N 418.258 3.306 5 50 HGBA NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 2670044 INAQMSBRKWXMCD-UHFFFAOYSA-N 421.818 3.408 5 50 HGBA CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 1145584 SFWYHCDRBSFQIJ-DHDCSXOGSA-N 402.384 3.454 5 50 HGBA CC(C)(CO)NCCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccccc1 170619446 UKLZZIIQFQTELV-HXUWFJFHSA-N 410.474 3.023 5 50 HGBA Cc1ccc(S(=O)(=O)NCCSc2ncc(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1 6459724 BDDYRXOXDNUVLD-UHFFFAOYSA-N 418.500 3.364 5 50 HGBA O=C(CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 100273621 RPHSVRKAPNYPTL-ATZDWAIDSA-N 407.426 3.102 5 50 HGBA CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 971854 YGHHNHCGJONOQW-UHFFFAOYSA-N 402.838 3.169 5 50 HGBA CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1C 2908713 IAQFRHYCKUSBBT-IBGZPJMESA-N 411.414 3.187 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 4119316 WFWDDUXXHPQROS-NSHDSACASA-N 404.220 3.349 5 50 HGBA C/C(Cl)=C/CN1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 1134664 DZUGVVXEURRXCB-ZIEFLUENSA-N 408.841 3.410 5 50 HGBA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4996049 IUDPGMQCRYBWFH-CQSZACIVSA-N 403.460 3.410 5 50 HGBA CCCOc1ccc(-c2nc3s/c(=C/c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 5893383 XEQTVALXXHDPPX-SFQUDFHCSA-N 408.439 3.063 5 50 HGBA CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 845596 DNQTYGIFESUMEO-SFHVURJKSA-N 412.471 3.425 5 50 HGBA O=[N+]([O-])c1cnn(Cc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c1 2786349 CHXNFMSTAQZGJR-UHFFFAOYSA-N 407.415 3.241 5 50 HGBA CCCC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4017703 BWBXBQNTFCLKDX-LLVKDONJSA-N 413.714 3.494 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2ccc(C(C)=O)cc2)CC1 5041348 OBRSINZWTMMOEO-UHFFFAOYSA-N 414.487 3.325 5 50 HGBA O=[N+]([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1c(F)cccc1OC(F)(F)F 242302307 YRHCCLXSOTUMSE-UHFFFAOYSA-N 406.313 3.384 5 50 HGBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc(Br)cc1 54959696 CQQKNNLFYGKTDM-UHFFFAOYSA-N 419.279 3.118 5 50 HGBA O=C(COC(=O)c1ccccc1I)c1ccc([N+](=O)[O-])cc1 910540 FBBIWOUJUPIMJW-UHFFFAOYSA-N 411.151 3.239 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N3CCC(Cc4ncc[nH]4)CC3)cc2)c(C)c1[N+](=O)[O-] 328592020 NZXUVXJLUPIDIO-UHFFFAOYSA-N 422.489 3.274 5 50 HGBA CCCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CCCC2 2083623 CRHUKCSAOMSLNL-UHFFFAOYSA-N 406.464 3.246 5 50 HGBA CCOCN1C(C)=C(C(=O)O)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C 4529472 QGMIHHWHFXKWNT-GOSISDBHSA-N 404.419 3.184 5 50 HGBA COc1cccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)c1 1214353 WZJXFVAECMCFGP-KRWDZBQOSA-N 409.320 3.105 5 50 HGBA Cc1nn(C)c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1[N+](=O)[O-] 2781525 KUHWPLMOJSTEGD-SNVBAGLBSA-N 419.507 3.200 5 50 HGBA O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1)OCc1ccccc1 5059461 JRZSYBZCORPFOK-FQEVSTJZSA-N 411.458 3.491 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1 670559 PERXMFJHABRKIH-UHFFFAOYSA-N 403.460 3.412 5 50 HGBA COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OC 1106149 CQMGLIHUFFRZAK-AWNIVKPZSA-N 403.778 3.363 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1F 9371041 UAWHRVHZORUOHG-UHFFFAOYSA-N 422.869 3.224 5 50 HGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CCN(Cc2ccccc2)CC1 443963924 MRPQKDQWZIRQJL-UHFFFAOYSA-N 411.506 3.151 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1 2778114 IUCLFEBYTDSPHH-UHFFFAOYSA-N 418.397 3.056 5 50 HGBA CC(=O)Nc1ccc(NC(=O)[C@@H](C)n2nc([N+](=O)[O-])c(Br)c2C)cc1 1069425 RRFVBFAOEFXWHG-SECBINFHSA-N 410.228 3.020 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1073047 VLIJOKWJCRVZGF-CQSZACIVSA-N 421.450 3.082 5 50 HGBA O=C(Oc1ccccc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1229772 LALLRYFLZOWKBQ-HXUWFJFHSA-N 416.389 3.408 5 50 HGBA COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027928 ARQATUJHXKBCKW-UHFFFAOYSA-N 413.411 3.034 5 50 HGBA CC(C)(C)N[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19228864 RAUUVAMYRMVPAF-LLVKDONJSA-N 413.645 3.317 5 50 HGBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCCCC1 4414363 LOVWPCBEAQMOTR-UHFFFAOYSA-N 403.460 3.330 5 50 HGBA COc1ccc(Cl)cc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 848429 QFZYXWKRJZSXSB-UHFFFAOYSA-N 403.620 3.163 5 50 HGBA Cc1ccc(C(=O)Nc2cc3c(cc2Br)n(C)c(=O)n3C)cc1[N+](=O)[O-] 16447686 JUXQRCLPXOFJLF-UHFFFAOYSA-N 419.235 3.108 5 50 HGBA COc1cc(CC(=O)N(Cc2ccccc2)[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC 2325809429 CAKNDKOJSWIWRA-HKUYNNGSSA-N 414.458 3.097 5 50 HGBA CC1=CC(C)(C)N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c2ccccc21 1220791 YWLUUFVDXXFUDK-UHFFFAOYSA-N 405.410 3.420 5 50 HGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 754831 BZWYJJLETWSHPI-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NC(c1ccccc1)c1ccccc1 1177735 CSQVPOBJVGHQMG-UHFFFAOYSA-N 415.405 3.097 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)NNC(=S)Nc2cc(Cl)cc(Cl)c2)c1 15150298 YMHPCBUSPIKVGM-UHFFFAOYSA-N 421.287 3.082 5 50 HGBA CCOC(=O)CCCOc1cc([N+](=O)[O-])c([C@H](C)NC(=O)C(F)(F)F)cc1OC 43214663 VJJPGRANBSTQRO-JTQLQIEISA-N 422.356 3.065 5 50 HGBA COC(=O)c1sc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C(=O)OC)c1C 2746754 UZJCJRPEVHKRSZ-UHFFFAOYSA-N 412.807 3.444 5 50 HGBA COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCCCC2)cc1 825115 RCJKUVOWZILGOZ-HMMYKYKNSA-N 409.442 3.387 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 4119315 WFWDDUXXHPQROS-LLVKDONJSA-N 404.220 3.349 5 50 HGBA O=Cc1ccccc1OC(=O)C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8462986 HPBBIFGUVAGHDO-HHHXNRCGSA-N 401.318 3.139 5 50 HGBA O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 653808 SLGKSQAZXZMAEC-UHFFFAOYSA-N 402.414 3.337 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1432273 YXWCXUATMXLQMI-HXUWFJFHSA-N 423.425 3.268 5 50 HGBA COc1nn([C@@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@@H](C)CC5)cc1[N+](=O)[O-] 2788904 FUWGAJWLNYVFKO-UWVGGRQHSA-N 413.463 3.186 5 50 HGBA COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1 2987008 XFXRYJFOGQZGBK-UHFFFAOYSA-N 414.414 3.447 5 50 HGBA O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 247330340 OUEVNJFJTWRQDM-QUCCMNQESA-N 414.458 3.333 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1014031 JYCINFKAGWJTLI-QGZVFWFLSA-N 423.878 3.348 5 50 HGBA CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 4143367 UUKRSZSKURUMHQ-MRXNPFEDSA-N 418.519 3.240 5 50 HGBA aggregator O=C1C[C@H](C(=O)N2CCCc3cc(F)cc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 917694545 CCMDNMZLNDFLFB-LBPRGKRZSA-N 419.359 3.344 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccccc1Br 4551566 PFUPTYKYABTTHY-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA COc1cc(CC(=O)N(Cc2ccccc2)[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])cc1OC 2325809431 CAKNDKOJSWIWRA-MJGOQNOKSA-N 414.458 3.097 5 50 HGBA CCNC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 858396 QVFVIHAUAPKVHT-UHFFFAOYSA-N 403.460 3.302 5 50 HGBA O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 170615670 NTZLFDXCFBXGSA-UHFFFAOYSA-N 422.422 3.299 5 50 HGBA COC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 845140 ULSRSHSQIAJTBX-VIFPVBQESA-N 406.464 3.020 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(C)c(C)c1)S(C)(=O)=O 2888499 VRUDKWKAWNJVQI-AWEZNQCLSA-N 421.475 3.013 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 4676942 NSNBFXPYRBQTOP-UHFFFAOYSA-N 415.393 3.125 5 50 HGBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1Cc1ccco1 1156433 DADPRFQNFDMKOD-XLLHFJCQSA-N 400.390 3.060 5 50 HGBA O=C(Nc1ccc(O)cc1)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1234973 ADWHURACOUQMDB-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA O=C(c1sc2cc([N+](=O)[O-])ccc2c1Cl)N1CCN(c2ncccn2)CC1 1056679 PJLSVQRXVIFECT-UHFFFAOYSA-N 403.851 3.215 5 50 HGBA Cc1c(NC(=O)[C@@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2877119 BOJMNVPJUCMSJH-GFCCVEGCSA-N 411.867 3.350 5 50 HGBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1C 4125265 XEFQLGUMKNPBQC-UHFFFAOYSA-N 424.501 3.011 5 50 HGBA O=C(O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2ccnn2C1 1875324132 IQKWAHURTQHWHZ-GFCCVEGCSA-N 416.821 3.421 5 50 HGBA COC(=O)c1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 2081334 GOEKMFPWDNLBET-BQYQJAHWSA-N 404.400 3.190 5 50 HGBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccccc1C(=O)O)C2=O 3146365 BEWPGFNXMSWZTM-UHFFFAOYSA-N 416.345 3.325 5 50 HGBA CCn1nccc1CN(CCc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602503 BADQXHLFTYGHJG-UHFFFAOYSA-N 414.487 3.245 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1 4353992 QVFGFRLCIUOHDY-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA CCOc1ccc(C(=O)Nc2ccc(I)cn2)cc1[N+](=O)[O-] 16448280 IXGQUZFUNXKLBX-UHFFFAOYSA-N 413.171 3.245 5 50 HGBA Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)no1 17091016 HCUMXGVEIFXJNO-UHFFFAOYSA-N 417.403 3.336 5 50 HGBA O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 101961593 FXUAGKWMODMEET-LSOMNZGLSA-N 404.378 3.126 5 50 HGBA CCOC(=O)c1sc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc(=O)c2c1C 2675121 MOEOYQIPAIKVLA-UHFFFAOYSA-N 419.440 3.364 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4809380 KJPFKXBWDMXDGS-UHFFFAOYSA-N 409.427 3.414 5 50 HGBA O=C(c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)N1N=CC[C@@]1(O)C(F)(F)F 6925911 MZGGONGSBZQBMF-QGZVFWFLSA-N 409.320 3.256 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1432272 YXWCXUATMXLQMI-FQEVSTJZSA-N 423.425 3.268 5 50 HGBA CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)N(C)C)c1C 2767835 SWKAUPMFQROGNM-UHFFFAOYSA-N 405.432 3.096 5 50 HGBA O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccccc2CN2CCC(O)CC2)n1 170606834 MSWJSAXEYCPJJU-SFTDATJTSA-N 413.522 3.022 5 50 HGBA Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@H]5N=NN(c6ccccc6[N+](=O)[O-])[C@@H]45)[C@H]3C2=O)cc1 245238192 FUDXRGXMLQXLPF-JJDILSOYSA-N 417.425 3.283 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(I)cc1 8833748 MXCCNBVTNOJUHU-UHFFFAOYSA-N 418.212 3.309 5 50 HGBA COc1cc(-c2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)c(OC)cc1Cl 13895954 OVHKEVPZSOLSIF-HWKANZROSA-N 419.777 3.485 5 50 HGBA CCOC(=O)c1cc(C(=O)NCc2cc(N(C)C)nc3ccccc23)cc([N+](=O)[O-])c1 440619960 ALVCGIQBUHSGTE-UHFFFAOYSA-N 422.441 3.316 5 50 HGBA CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCc1nc(COc2ccccc2)n[nH]1 472666039 BBVJYJPLEXSLFL-UHFFFAOYSA-N 415.381 3.220 5 50 HGBA O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 1114689 MISUPGADEVNJEK-UHFFFAOYSA-N 420.878 3.212 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N[C@H](Cn3cccn3)C(C)(C)C)o2)c(C)c1[N+](=O)[O-] 2781011 MYZDWLLOBZKCCW-QGZVFWFLSA-N 414.466 3.091 5 50 HGBA O=C(c1ccc(F)cc1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4543896 CACZVILNBQHETK-UHFFFAOYSA-N 416.428 3.436 5 50 HGBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 4740923 OGVOKPIFRCFYAY-MRXNPFEDSA-N 416.503 3.210 5 50 HGBA CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2978962 ICISZYINDAMKIN-UHFFFAOYSA-N 402.432 3.079 5 50 HGBA COc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 4705255 LIGBFBFFPZDXFY-UHFFFAOYSA-N 414.443 3.302 5 50 HGBA Cc1nc(-c2nc(C[C@@H](O)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 2325821985 SJNOFVTVGMMIQP-CQSZACIVSA-N 405.208 3.387 5 50 HGBA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 4594607 CZPUJZMCCONFNV-OAHLLOKOSA-N 402.403 3.256 5 50 HGBA O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc12 2245084 PMHHKICSNAYXGR-UHFFFAOYSA-N 407.382 3.288 5 50 HGBA COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9202807 JQUKZFKQELDRPK-UHFFFAOYSA-N 420.805 3.402 5 50 HGBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)Cc1ccccc1 4561623 ICVGYYZPGWMVHZ-AWEZNQCLSA-N 409.895 3.289 5 50 HGBA COc1ccc(Cn2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)cc1 40398798 LSRJJKGSXJTWQM-UHFFFAOYSA-N 424.460 3.212 5 50 HGBA C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1049605 HIOHHDUGFZNPKC-SECBINFHSA-N 418.258 3.207 5 50 HGBA C[C@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 222017601 ATCPTFFRGRUOTI-XAQRPHPSSA-N 420.437 3.326 5 50 HGBA CS(=O)(=O)c1cccc(C(=O)COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 791600583 CHHSVWNPBTUGFS-UHFFFAOYSA-N 419.436 3.253 5 50 HGBA O=[N+]([O-])c1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 19799434 CFMOSIAYRPWXCV-UHFFFAOYSA-N 411.487 3.300 5 50 HGBA CC(C)CNc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] 4740928 RZSBFVFYKVXQCO-UHFFFAOYSA-N 418.519 3.174 5 50 HGBA CCN(c1ccccc1)S(=O)(=O)c1ccc(Sc2ncnn2C)c([N+](=O)[O-])c1 170613070 DJPFNGQWSNKDBO-UHFFFAOYSA-N 419.488 3.090 5 50 HGBA CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 672346 MHXCDLPXBAKZSO-UHFFFAOYSA-N 403.460 3.268 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3ccccc3F)cc2Cl)cc1 2804567 OXJCIHZSFFWRKH-UHFFFAOYSA-N 410.814 3.433 5 50 HGBA COCCNC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 2252120 NXFWENWCUTUNJU-UHFFFAOYSA-N 403.460 3.164 5 50 HGBA CC1CCN(C[C@@H](CS(=O)(=O)c2ccc([N+](=O)[O-])cc2)N2CCC(C)CC2)CC1 4776308 WHFSSAKYWSYLOQ-FQEVSTJZSA-N 423.579 3.201 5 50 HGBA O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 1156869 SKJPSGHBXPGARJ-UHFFFAOYSA-N 406.847 3.475 5 50 HGBA Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-] 6686568 DOBSFZOHFAENBR-QGZVFWFLSA-N 405.204 3.078 5 50 HGBA CC(C)C(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 2682793 IFWUVYVUKGETIM-NSHDSACASA-N 413.714 3.350 5 50 HGBA COC(=O)C1=CN(Cc2cccs2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 1077090 ZCILCSILUITAPB-UHFFFAOYSA-N 414.439 3.370 5 50 HGBA N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 100627850 HSZQDZSTRYKMPZ-UHFFFAOYSA-N 405.502 3.306 5 50 HGBA CCN(CCn1cccn1)C(=O)[C@H](C)Oc1ccc2c(c1)oc(=O)c1ccccc12 952969420 NGPQXIOZEHOQCU-INIZCTEOSA-N 405.454 3.459 5 50 HGBA O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 896134 AIBHVSCYYROVJY-GOSISDBHSA-N 412.398 3.122 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])cc1 2895901 GUTKGMSGEGCJLQ-UHFFFAOYSA-N 404.429 3.104 5 50 HGBA O=C(N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 4534285 CJERUMAUMMIPRF-HXUWFJFHSA-N 405.410 3.280 5 50 HGBA CCOC(=O)c1ccc(-c2ccc(/C=C/c3nn4cnnc4c(O)c3[N+](=O)[O-])o2)cc1 9234754 ORHNSDGMSIWRRJ-VQHVLOKHSA-N 421.369 3.345 5 50 HGBA CCOc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 855165 HLTBQYVTVIEEAF-SFHVURJKSA-N 424.500 3.438 5 50 HGBA COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 240668562 HNKOZKAQDUDYED-PERKRYKHSA-N 418.493 3.487 5 50 HGBA Cc1nc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c([N+](=O)[O-])cc1Br 1875316983 KNOLBWCNYSWXCD-HNNXBMFYSA-N 420.311 3.414 5 50 HGBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1[N+](=O)[O-] 4980373 BKWKUPPJHHTEFQ-UHFFFAOYSA-N 415.427 3.227 5 50 HGBA O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 35877061 LWFHKGBDMPFXCS-UHFFFAOYSA-N 417.377 3.349 5 50 HGBA O=C(NC(=S)Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1[N+](=O)[O-] 1065389 MPJWXRZCQFUHKT-UHFFFAOYSA-N 420.878 3.212 5 50 HGBA O=C1C[C@H](C(=O)N2CCc3cccc(Cl)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 916420127 QOSRFOMNLYYUCI-LBPRGKRZSA-N 403.797 3.330 5 50 HGBA CCOC(=O)C1=C(CNc2cccc([N+](=O)[O-])c2)NC(=O)N[C@H]1c1cc(C)ccc1C 1061573 DLNLQHLUAWUZKO-FQEVSTJZSA-N 424.457 3.495 5 50 HGBA COc1cc(Cl)ccc1NC(=O)Cn1nc([N+](=O)[O-])c(Br)c1C 1300830 ZZYSPKIMXSDBQE-UHFFFAOYSA-N 403.620 3.163 5 50 HGBA Cc1ccc(C(=O)Nn2c(=S)[nH]c3sc4c(c3c2=O)CCC4)cc1[N+](=O)[O-] 17082386 CQWCWXKLUMQCCW-UHFFFAOYSA-N 402.457 3.210 5 50 HGBA CCCCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 2830041 JPZAORVRXLIMHR-MDWZMJQESA-N 403.460 3.325 5 50 HGBA CC(C)(C)c1ccc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 17091152 MISVUSFOWOGVIK-UHFFFAOYSA-N 417.531 3.399 5 50 HGBA COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 252441135 HWQOIKLWBXMRDS-WYINNJGHSA-N 402.511 3.252 5 50 HGBA O=[N+]([O-])c1cccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 19852658 SOIPEJOKTIENQA-UHFFFAOYSA-N 411.483 3.255 5 50 HGBA O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4543943 AFEUTOYOPNUBFO-UHFFFAOYSA-N 408.227 3.459 5 50 HGBA Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 6373261 NSCXENSANYQONJ-UHFFFAOYSA-N 404.423 3.396 5 50 HGBA CCO[C@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(Br)cc1C2=O 12411229 ZFDNBMSIXWFZSM-QGZVFWFLSA-N 418.203 3.442 5 50 HGBA COc1ccc(C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)C[C@@]2(O)C(F)(F)F)cc1 1161001 KDXSHMJXPIXJFF-QGZVFWFLSA-N 409.320 3.105 5 50 HGBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC1CCCCC1 835123 QOCFCJIZXGWEQB-UHFFFAOYSA-N 417.487 3.239 5 50 HGBA O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 1166399 VZOKRDOPYRRZEH-DHDCSXOGSA-N 401.375 3.409 5 50 HGBA O=C1C[C@H](C(=O)N2CCCc3cc(F)c(F)cc32)CN1c1ccc(F)c([N+](=O)[O-])c1 914726716 YGQVFRCWTPYVKI-LBPRGKRZSA-N 419.359 3.344 5 50 HGBA Cc1cc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)c(F)cc1[N+](=O)[O-] 4182173 CNGPNYNKFQHUGI-UHFFFAOYSA-N 406.345 3.052 5 50 HGBA COc1ccccc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 4820987 JFHHEWDKVDBXLA-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA CCOc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1 9234663 GPWYDNNIGMJTMB-VQHVLOKHSA-N 423.425 3.428 5 50 HGBA COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2cc(-c3ccc4c(c3)OCO4)nn12 13645790 FORRICLDZYCOGA-UHFFFAOYSA-N 418.365 3.487 5 50 HGBA O=C(Cc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2834385 HDRPAGGZKVRPFN-UHFFFAOYSA-N 403.441 3.065 5 50 HGBA CCCOc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 5853506 CTCRQEJWSMQTHI-SFQUDFHCSA-N 408.439 3.063 5 50 HGBA COc1c(O)ccc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c1[N+](=O)[O-] 2744907 GXEUAJPACXWYRQ-INIZCTEOSA-N 413.415 3.386 5 50 HGBA COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)o2)c([N+](=O)[O-])c1 14152623 JKMGEHHTDOROBY-UHFFFAOYSA-N 416.415 3.296 5 50 HGBA O=C1C[C@@H](C(=O)N2CCCc3ccc(F)cc32)CN1c1ccc(F)c([N+](=O)[O-])c1 918628544 YRTSZMNZHYAVAK-CYBMUJFWSA-N 401.369 3.205 5 50 HGBA Cc1ccc2nc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)sc2c1 1910483 IJXGZZNYTNIEDC-UHFFFAOYSA-N 410.411 3.138 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1Br 881899 JDIFMCZAERMWCH-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(C(=O)O)ccc1Cl 2832991 FVENUUMMAXEEOU-QPJJXVBHSA-N 405.819 3.473 5 50 HGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C)cc1 4188671 NFEHRYDCPMZCNX-AWEZNQCLSA-N 409.895 3.456 5 50 HGBA COc1cccc(NC(=O)Cc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 1074547 IYKWDBURHMDEQQ-UHFFFAOYSA-N 413.459 3.205 5 50 HGBA O=C(Nc1cccc(O)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1202334 HVHRDHXLAGKNON-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 2841701 ZUYAUTMCYCCOQA-UHFFFAOYSA-N 405.476 3.100 5 50 HGBA CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 845597 DNQTYGIFESUMEO-GOSISDBHSA-N 412.471 3.425 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O 2883171 PNIBPPKZAFXEIM-UHFFFAOYSA-N 401.806 3.345 5 50 HGBA CC(C)C(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 3877976 MRTZPWBBASWJKG-NSHDSACASA-N 413.714 3.350 5 50 HGBA CCCCOC(=O)C(C(=O)OCCCC)n1c(=O)sc2cc([N+](=O)[O-])ccc21 4948411 CQPAAMXWYXVLLK-UHFFFAOYSA-N 410.448 3.199 5 50 HGBA CCOc1ccc(-c2nnc(NS(=O)(=O)c3c(C)ccc([N+](=O)[O-])c3C)o2)cc1 170609123 KKMRHGDUXIKWBD-UHFFFAOYSA-N 418.431 3.461 5 50 HGBA COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)cc1[N+](=O)[O-])N(C(C)=O)CC2 759643 FGDLKWIUDQYJBW-NRFANRHFSA-N 416.430 3.123 5 50 HGBA COC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)OC)c1C 2951724 AVHHMOCASWXUDR-UHFFFAOYSA-N 412.807 3.444 5 50 HGBA CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1[N+](=O)[O-] 170618945 UMCOKQFDLBIQEL-FQEVSTJZSA-N 410.474 3.023 5 50 HGBA Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C(C)C)N1CCC(C)CC1 464020212 PJMDMWWWMGPOQH-GOSISDBHSA-N 404.511 3.023 5 50 HGBA O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)N1CC=C(c2ccccc2)C1 758517987 MZHGOBKEVAKIQD-UHFFFAOYSA-N 409.261 3.445 5 50 HGBA CCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)c(F)c1 2878688 UJVJZJFSZDJIPD-UHFFFAOYSA-N 403.385 3.428 5 50 HGBA COc1ccc(Cn2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)cc1 36125562 NUIRXHHPVLARJO-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H]5N=NN(c6ccccc6[N+](=O)[O-])[C@@H]45)[C@H]3C2=O)cc1 245238191 FUDXRGXMLQXLPF-CZOCOAOWSA-N 417.425 3.283 5 50 HGBA O=[N+]([O-])c1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 4748044 CAGWFMCZXTYJRN-UHFFFAOYSA-N 418.452 3.179 5 50 HGBA CC[C@]1(C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 896637 LTZZMGVLESYPMC-DYESRHJHSA-N 411.410 3.304 5 50 HGBA CCO[C@@]12ON=C(c3cccc([N+](=O)[O-])c3)N1c1ccc(Br)cc1C2=O 12411231 ZFDNBMSIXWFZSM-KRWDZBQOSA-N 418.203 3.442 5 50 HGBA O=C1N/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 16115918 KZKOEKRPGBIJBX-NTUHNPAUSA-N 418.203 3.156 5 50 HGBA Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 480503101 RFLDOLCQDCFXDC-SFHVURJKSA-N 419.485 3.493 5 50 HGBA O=C(O[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(F)c(F)ccc2[nH]1 2325727417 HVPGTNKABGCCSD-INIZCTEOSA-N 401.325 3.317 5 50 HGBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccn1 792982 DQTKIEVZKQDUMS-UHFFFAOYSA-N 412.427 3.351 5 50 HGBA O=C(NCCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1 4844896 NEYQQNXLNGBTOU-XDJHFCHBSA-N 405.410 3.318 5 50 HGBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1cccc(C(F)(F)F)c1 850447 SQJBQIGITOJZGA-UHFFFAOYSA-N 407.304 3.238 5 50 HGBA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 2827538 ADQVDRFJCYMEOM-UHFFFAOYSA-N 402.432 3.079 5 50 HGBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccccc2CN2CCC(O)CC2)n1 170606835 MSWJSAXEYCPJJU-NHCUHLMSSA-N 413.522 3.022 5 50 HGBA O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)c1 1097996 WBFBYHNADSHSJL-UHFFFAOYSA-N 414.443 3.486 5 50 HGBA Cc1ccc(OCc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)c([N+](=O)[O-])c1 2802466 GJFDQIJJDMZOMD-UHFFFAOYSA-N 415.413 3.474 5 50 HGBA CC(C)Oc1ccc(-c2nc3s/c(=C/c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 5690082 KOKULQMNUBAGHB-GZTJUZNOSA-N 408.439 3.061 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1n[nH]cc1[N+](=O)[O-] 8450368 ATDJJOYVAWAKBF-UHFFFAOYSA-N 421.822 3.024 5 50 HGBA CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778920 RBYQTSLAIIOGSU-NWDGAFQWSA-N 424.841 3.363 5 50 HGBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccnc1 1114939 VSDZRKMRBJKBRC-UHFFFAOYSA-N 401.382 3.005 5 50 HGBA COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027931 BGUGASPJWGDSCN-UHFFFAOYSA-N 402.384 3.232 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2Br)CC1 19782415 AATNFDCYOQIMOK-UHFFFAOYSA-N 404.264 3.315 5 50 HGBA CCOC(=O)CCCOc1cc([N+](=O)[O-])c([C@@H](C)NC(=O)C(F)(F)F)cc1OC 43214662 VJJPGRANBSTQRO-SNVBAGLBSA-N 422.356 3.065 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101056566 JSULNELSKPGYHD-UHFFFAOYSA-N 411.124 3.426 5 50 HGBA O=C1C[C@@H](C(=O)N2CCCc3cc(F)cc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 917694544 CCMDNMZLNDFLFB-GFCCVEGCSA-N 419.359 3.344 5 50 HGBA CS/C=C/C(=O)N1C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 2325872424 XKACKAIYDDXOJH-APPUJDCNSA-N 417.512 3.257 5 50 HGBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2ccc(Cl)cc2)CC1 1055451 SCHIBCMUHRJKBE-UHFFFAOYSA-N 413.817 3.317 5 50 HGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(I)cc1F 1069380 SQRJSVZQUWRNEZ-UHFFFAOYSA-N 416.146 3.356 5 50 HGBA COc1cc(NC(=O)COc2ccccc2[N+](=O)[O-])ccc1NC(=O)c1ccco1 1218111 KNDRYTLOFPFYCJ-UHFFFAOYSA-N 411.370 3.466 5 50 HGBA O=c1c(Cl)c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1ccccc1 4703618 QMEOHNOLJDRUPG-UHFFFAOYSA-N 411.849 3.121 5 50 HGBA CCOC(=O)c1sc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3[nH]2)nc1C 38346887 LTFDMSOSUGGLFT-UHFFFAOYSA-N 421.460 3.144 5 50 HGBA COc1ccc(CCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1OC 4687379 BODYEEATMVHDSX-UHFFFAOYSA-N 400.479 3.018 5 50 HGBA CCc1cccc(C)c1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 1129909 GXVCYIIKWHGPDE-UHFFFAOYSA-N 405.476 3.179 5 50 HGBA O=C1N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 1143655 CFPPTHILAAFIIC-OQLLNIDSSA-N 402.204 3.450 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](CC(C)C)N1C(=O)c2ccccc2C1=O 951462 QMESYSVTHHTWPB-QGZVFWFLSA-N 411.414 3.253 5 50 HGBA COc1cc(CO)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1141859 RRHXGZMHJQYQFH-UHFFFAOYSA-N 415.183 3.279 5 50 HGBA O=c1c(-c2ccccc2Cl)[n+]([O-])c2ccccc2n1OCc1ccc([N+](=O)[O-])cc1 2864177 YQVZLFYMLPBEAL-UHFFFAOYSA-N 423.812 3.492 5 50 HGBA CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccc(Br)cc2)CC1 4845989 SCZAVKYSJQFZQE-UHFFFAOYSA-N 404.264 3.340 5 50 HGBA Cc1cc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(C)cc1Cl 6399742 LLANGSNXSCMLJG-UHFFFAOYSA-N 409.895 3.376 5 50 HGBA O=C(CS[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Cl)cc1 22016048 WDNNQFFDNZUMRR-HNNXBMFYSA-N 419.846 3.252 5 50 HGBA Cc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 1151735 KIXMAOKFFVRPHQ-SFHVURJKSA-N 407.348 3.333 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 101733108 CFDWYVNTLZLSIP-AAVKCTGRSA-N 411.458 3.123 5 50 HGBA CC[C@]1(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 896641 LTZZMGVLESYPMC-LAUBAEHRSA-N 411.410 3.304 5 50 HGBA O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 1190506 XWIGDJWQAJXIEA-UHFFFAOYSA-N 403.438 3.311 5 50 HGBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCC12CC3CC(CC(C3)C1)C2 4127324 UZEWKQRDYQFJCB-UHFFFAOYSA-N 411.300 3.195 5 50 HGBA O=C(CCc1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8424408 GMTZJCZKVBKBQV-UHFFFAOYSA-N 417.468 3.455 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(I)c2)cc1 869526 JYMXGHKUVUZOMC-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA COc1cc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc(OC)c1OC 5014642 DACYKYFQRGFHIW-UHFFFAOYSA-N 405.432 3.056 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252461076 KIPHTHYSVQAMJV-OJMPBSRPSA-N 417.573 3.270 5 50 HGBA biogenic CC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1144321 BAXHYFZJRKMLIZ-UHFFFAOYSA-N 410.430 3.044 5 50 HGBA Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H]5N=NN(c6ccccc6[N+](=O)[O-])[C@H]45)[C@H]3C2=O)cc1 245238193 FUDXRGXMLQXLPF-UJZMIBOKSA-N 417.425 3.283 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 1772493045 UKHLKPBTNRMFRJ-KUBXJNQVSA-N 409.594 3.426 5 50 HGBA Cc1ccc(CC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 2832535 SPKGSKIIRMMFFA-UHFFFAOYSA-N 417.468 3.374 5 50 HGBA C=Cn1cc[n+](-c2nc3ccccc3nc2N=[S@](=O)(O)c2ccc([N+](=O)[O-])cc2)c1 334157879 ZXEGPAJZNCKKKP-UHFFFAOYSA-O 423.434 3.348 5 50 HGBA Cc1cc([N+](=O)[O-])c(N2CCOCC2)cc1NC(=S)NC(=O)c1ccccc1F 4091852 VVENRQZYLUQLKP-UHFFFAOYSA-N 418.450 3.006 5 50 HGBA Cc1cc(I)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 16383152 GEUUBFHZNZYZJH-UHFFFAOYSA-N 418.212 3.309 5 50 HGBA O=[N+]([O-])c1cc(CSc2nnnn2-c2ccc(O)cc2)ccc1Br 225506391 CEZKPJWQOQUEMN-UHFFFAOYSA-N 408.237 3.331 5 50 HGBA O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 9601704 UDFIJMXJSBFDQV-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)OC)c1C 1113188 XOWJULPICLFHOY-UHFFFAOYSA-N 419.459 3.486 5 50 HGBA Cc1cc([N+](=O)[O-])nn1CCNC(=O)c1ccc(COc2ccccc2Cl)o1 2796363 WNMVHDIAJBAEJH-UHFFFAOYSA-N 404.810 3.355 5 50 HGBA Cn1c(=O)c2ccc3c4ccc5c(=O)n(C)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 11612116 PJQYNUFEEZFYIS-UHFFFAOYSA-N 418.408 3.037 5 50 HGBA in-vitro O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NCc1ccccc1 1114787 BTHIANXJPXDUTE-UHFFFAOYSA-N 414.421 3.288 5 50 HGBA Cc1cc(=O)oc2cc(NC(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)ccc12 2800334 HGDNZWLWPWRSQP-UHFFFAOYSA-N 420.381 3.495 5 50 HGBA CS(=O)(=O)c1ccc2nc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)sc2c1 9111509 VKRDDWOCODWNCD-VMPITWQZSA-N 403.441 3.260 5 50 HGBA CS/C=C/C(=O)N1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@H](c2ccccc2)C1 2325871975 CGEGYOOVVURMQX-LWLVDVGCSA-N 417.512 3.257 5 50 HGBA CCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100627811 VVCBVVVSMOBCJF-HNNXBMFYSA-N 401.470 3.030 5 50 HGBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(O)cc1 658168 PBPQYRUFENEUCY-ZRDDSIGQSA-N 412.401 3.177 5 50 HGBA Cc1c(Br)c(C(F)(F)F)nn1CC(=O)Nc1cc(O)cc([N+](=O)[O-])c1 825519 CYUCGWOGAMQKCF-UHFFFAOYSA-N 423.145 3.225 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Cl)c1 4008107 YXKWCSGGAWMBQE-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccs1 5101260 OQIGTHOJPNETFH-UHFFFAOYSA-N 410.908 3.147 5 50 HGBA O=C(O)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 6184295 WHCYEWNWDCDDAI-CYBMUJFWSA-N 419.242 3.396 5 50 HGBA CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100642535 HXPPPWGSOJQUCH-OAHLLOKOSA-N 422.510 3.241 5 50 HGBA COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 8441383 QDFUCZFFQHKYLZ-GOSISDBHSA-N 424.500 3.357 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)O)c2C)cc1[N+](=O)[O-] 3001275 NEUWDQHNFGKWAD-UHFFFAOYSA-N 403.416 3.127 5 50 HGBA Cc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 2884337 YYCXWSMPIJSTMX-UHFFFAOYSA-N 410.415 3.087 5 50 HGBA COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)C(C)C 2886468 JASZDSGTSKBQSY-UHFFFAOYSA-N 416.459 3.325 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 1137986 CFVGJVGUSRNYLB-UHFFFAOYSA-N 417.365 3.018 5 50 HGBA Cc1nn(C)c(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1[N+](=O)[O-] 2727061 XNDRWUBJNPIIPY-UHFFFAOYSA-N 406.464 3.395 5 50 HGBA COc1ccc(NC(=S)NC(=O)c2ccc(Br)o2)cc1[N+](=O)[O-] 1115817 DZYDYDBFHMUVBU-UHFFFAOYSA-N 400.210 3.086 5 50 HGBA O=C(c1cccc(COc2ccc([N+](=O)[O-])cc2)c1)N1N=CC[C@]1(O)C(F)(F)F 6925913 MZGGONGSBZQBMF-KRWDZBQOSA-N 409.320 3.256 5 50 HGBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccncc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 226991340 AFCTZKYPTZBVGN-SLFFLAALSA-N 416.393 3.041 5 50 HGBA O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(c2ccc(Cl)cc2)CC1 6918940 QWDSBRUNVBFAFO-UHFFFAOYSA-N 418.884 3.464 5 50 HGBA O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1 1155220 CNWBWBSLTSHVHS-LLVKDONJSA-N 404.220 3.349 5 50 HGBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 244719225 LZEPUEPGRQUISN-IQGAEYHTSA-N 417.421 3.467 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1Br 170617368 CMIHFLMRZDFFDP-UHFFFAOYSA-N 423.248 3.344 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 4005950 WYBXRVMITWZYLR-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA CCOC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@@H]1c1cccc([N+](=O)[O-])c1 17087289 IHXFSSCETBZFCV-QGZVFWFLSA-N 406.402 3.100 5 50 HGBA CCOc1ccccc1N1CCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 55543503 DGKNXJMFCVDFRO-UHFFFAOYSA-N 401.463 3.333 5 50 HGBA O=C1C[C@@H](C(=O)N2CCCc3cccc(F)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 751074185 UGAQTINHUAQAAJ-CYBMUJFWSA-N 401.369 3.205 5 50 HGBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 101280844 VCBBKUKHEKXBJD-FVCZOJIISA-N 419.437 3.183 5 50 HGBA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1[N+](=O)[O-] 2827537 VGPOFLHUTYLPRV-UHFFFAOYSA-N 418.456 3.413 5 50 HGBA COc1cc(CC(=O)N(Cc2ccccc2)[C@H]2CCC[C@H]2O)c([N+](=O)[O-])cc1OC 2325809432 CAKNDKOJSWIWRA-PKOBYXMFSA-N 414.458 3.097 5 50 HGBA O=C(O[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cc2c(F)c(F)ccc2[nH]1 2325727418 HVPGTNKABGCCSD-MRXNPFEDSA-N 401.325 3.317 5 50 HGBA C[C@H](NC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4688195 RYWQMHGZCLKYJN-SCUMNGBJSA-N 412.534 3.339 5 50 HGBA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc([N+](=O)[O-])ccc1OC 100837232 JWFIHTIDURKPGM-GOSISDBHSA-N 413.455 3.097 5 50 HGBA Cc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 2835768 UXKKLTQSIUSXNF-UHFFFAOYSA-N 413.459 3.342 5 50 HGBA O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 893021 QKYJONNSQNVXAD-UHFFFAOYSA-N 419.437 3.111 5 50 HGBA COCCN1C(=O)C[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)[C@@H]1c1cnn(C(C)C)c1 328604199 IUYRORDCALFOCC-HRAATJIYSA-N 415.494 3.329 5 50 HGBA N=c1n(CCN2CCCCC2)c2ccccc2n1CC(=O)c1cccc([N+](=O)[O-])c1 2940005 WUPRQQSXICDUSQ-UHFFFAOYSA-N 407.474 3.199 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 4982115 GHXOSHZDHAPFGC-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1052324 COLUFNDMMVAVHD-CQSZACIVSA-N 403.460 3.268 5 50 HGBA O=C(Oc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 101961591 FXUAGKWMODMEET-KODHJQJWSA-N 404.378 3.126 5 50 HGBA COC(=O)c1cc(Br)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] 942078 LPJJFQPRMNDDLG-UHFFFAOYSA-N 409.192 3.161 5 50 HGBA Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1O 13843424 UNJPOIRKRVEOJP-UHFFFAOYSA-N 419.850 3.480 5 50 HGBA O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 245227571 JTDISTKAIXMLIC-MBZVMHRFSA-N 404.378 3.126 5 50 HGBA CC(C)COc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 1161276 YQKPFKRRBIUPTD-WQRHYEAKSA-N 422.466 3.309 5 50 HGBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccccc2CN2CCC(O)CC2)n1 170606836 MSWJSAXEYCPJJU-LEWJYISDSA-N 413.522 3.022 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(C)cc(C(F)(F)F)n1 4833425 GHNMZYJBUQNPIR-UHFFFAOYSA-N 402.354 3.451 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Br)cc1 5094398 BDGHPRDVLPAHAT-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 4719227 KAABZCWLBHQZPK-UHFFFAOYSA-N 404.879 3.085 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 4951083 FQARSGQIPUOFRP-UHFFFAOYSA-N 401.430 3.050 5 50 HGBA COc1cccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)c1 22289191 XZIRAAMDHDOLPA-GOSISDBHSA-N 423.347 3.033 5 50 HGBA CCCCOc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807585 DIXKGVPTYLCCMS-UHFFFAOYSA-N 411.414 3.399 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101056562 TZHQTMMEWVDEPD-UHFFFAOYSA-N 411.124 3.426 5 50 HGBA Cc1nc([C@H](C)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])no1 170682464 MBFXSBDUGSVPIQ-LBPRGKRZSA-N 409.468 3.024 5 50 HGBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 4619004 COALAJMVVAMTDI-MRXNPFEDSA-N 402.403 3.338 5 50 HGBA O=C(c1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c3nonc23)CC1 914863002 ZHLOMWVVUPAARF-UHFFFAOYSA-N 403.398 3.247 5 50 HGBA CCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 1825244 CQZYGCWNCLZQDL-UHFFFAOYSA-N 422.510 3.070 5 50 HGBA O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)c1ccc(F)cc1 43137668 YFUPCECXOAHNPJ-UHFFFAOYSA-N 400.435 3.349 5 50 HGBA Cc1c(NC(=O)[C@H](C)N(c2ccc(Cl)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 2877120 BOJMNVPJUCMSJH-LBPRGKRZSA-N 411.867 3.350 5 50 HGBA COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 252441136 HWQOIKLWBXMRDS-YSIBLPFHSA-N 402.511 3.252 5 50 HGBA biogenic COc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 2310555 CTQPCFNCGHGUMI-UHFFFAOYSA-N 405.838 3.228 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C(F)(F)F)c1 4543535 KCSUKIOLAFDHQY-UHFFFAOYSA-N 415.393 3.125 5 50 HGBA O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(C/C=C/c2ccccc2)CC1 19792386 WWGLYYFBGKRSDN-QPJJXVBHSA-N 419.437 3.172 5 50 HGBA CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100642536 HXPPPWGSOJQUCH-HNNXBMFYSA-N 422.510 3.241 5 50 HGBA O=C(CN1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O)Nc1cccc([N+](=O)[O-])c1 101549978 RPHSVRKAPNYPTL-LZQZEXGQSA-N 407.426 3.102 5 50 HGBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(O)cc1 658165 PBPQYRUFENEUCY-CAZKKTPXSA-N 412.401 3.177 5 50 HGBA COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 8441386 QDFUCZFFQHKYLZ-SFHVURJKSA-N 424.500 3.357 5 50 HGBA COC(=O)C1=CN(c2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1 1119985 HBVIHLKCDKYCBE-UHFFFAOYSA-N 412.373 3.452 5 50 HGBA O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NC1CCCCC1 870055 YRXZNPLHMYJKHI-UHFFFAOYSA-N 417.487 3.239 5 50 HGBA CC(C)C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 241124295 JHAUKKFYJPCIKZ-KZNAEPCWSA-N 400.431 3.004 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCC2)c1 1023031 OROXGWJRBYYEOX-UHFFFAOYSA-N 403.460 3.248 5 50 HGBA COCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1OC 170595813 XGRNWGBIWWQDEN-CQSZACIVSA-N 408.451 3.198 5 50 HGBA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] 17087520 DBUZZODYEISQID-UHFFFAOYSA-N 406.845 3.144 5 50 HGBA Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 480503100 RFLDOLCQDCFXDC-GOSISDBHSA-N 419.485 3.493 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CC)cc2)cc1[N+](=O)[O-] 2984010 DLSGPSVPEOIBNK-UHFFFAOYSA-N 416.459 3.469 5 50 HGBA O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1125490 PCAIINKYNOONFO-UHFFFAOYSA-N 401.850 3.417 5 50 HGBA O=[N+]([O-])c1cccc(C2c3c(nc(=S)[nH]c3O)Oc3nc(=S)[nH]c(O)c32)c1 13786022 YQUTVYJZCJEZAE-UHFFFAOYSA-N 403.401 3.197 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1I 9526080 OJZGUVHFXXZZPJ-UHFFFAOYSA-N 418.212 3.309 5 50 HGBA CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@H]4CCC[C@H]43)c([N+](=O)[O-])c2)CC1 230168064 LJUJKJKVFZEDCW-KUIQPFCPSA-N 423.535 3.210 5 50 HGBA COc1ccccc1Cn1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O 36359022 METKZEVMXYGYQT-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA CCN(CCNC(=O)c1cccc([N+](=O)[O-])c1C)C(=O)c1cccc([N+](=O)[O-])c1C 225444445 BFLJLIZOKXZWAD-UHFFFAOYSA-N 414.418 3.012 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(I)c2)c1 4957256 MDCFGPZGXVGMCU-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 55054016 HJIULPLNPYVPBY-UHFFFAOYSA-N 418.881 3.408 5 50 HGBA CN(Cc1cc(Br)ccc1F)C(=O)c1cc([N+](=O)[O-])c(N)cc1F 328590172 ZWRIAIPFMPOCMQ-UHFFFAOYSA-N 400.179 3.490 5 50 HGBA COc1ccc(NC(=O)c2ccco2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 1109181 AUTIDDRMNKVXRJ-UHFFFAOYSA-N 411.370 3.466 5 50 HGBA O=C(Oc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc([N+](=O)[O-])cc1 299811133 FXUAGKWMODMEET-YXUGBTPSSA-N 404.378 3.126 5 50 HGBA Cc1cccc(-n2ncc3c(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)ncnc32)c1 4954835 DWYVBLXENFKVOW-UHFFFAOYSA-N 415.457 3.359 5 50 HGBA C/C(Cl)=C/CN1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 4951500 DZUGVVXEURRXCB-BQGBLBLGSA-N 408.841 3.410 5 50 HGBA Cc1onc(C(=O)Nc2ccc(F)cc2OC(F)F)c1Cn1cc([N+](=O)[O-])cn1 13961080 XQQCYFQYAWFYKJ-UHFFFAOYSA-N 411.296 3.129 5 50 HGBA O=C(O)[C@H]1[C@@H](c2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)[C@H]2C=C[C@H]1C2 229537639 TVBNDFOIIJKQQP-STEAMIEHSA-N 410.433 3.295 5 50 HGBA COc1ccccc1N1CCN(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 4600000 CNJOBTJGAOARBV-UHFFFAOYSA-N 410.518 3.390 5 50 HGBA O=[N+]([O-])c1cccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)c1 1097318 ZDUZEPMEWATCKU-UHFFFAOYSA-N 413.234 3.406 5 50 HGBA COc1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1OC 1132806 LHCDYLYQGFHTQT-UHFFFAOYSA-N 405.432 3.476 5 50 HGBA CC(C)Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4193013 AQBXFLROOODGIZ-UHFFFAOYSA-N 403.504 3.304 5 50 HGBA COCOc1cc([N+](=O)[O-])c(C(=O)NCc2ccccc2OC(C)C)cc1OC 170595778 WKSUTJGHVNURRB-UHFFFAOYSA-N 404.419 3.303 5 50 HGBA O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCOc2c(Br)cccc21 225710207 OIORKIFPRUCVKF-OAHLLOKOSA-N 407.220 3.376 5 50 HGBA COc1cccc2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 914841466 TZFZZGLMJAKSKC-AWEZNQCLSA-N 413.405 3.075 5 50 HGBA CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 4671940 NMPCIEWZXDGSOT-UHFFFAOYSA-N 421.475 3.195 5 50 HGBA Cc1c(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)oc2ccccc12 1134359 KSXVKVXVAVGQSG-YBEGLDIGSA-N 404.407 3.329 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCc1ccc(OC)c(OC)c1 4744614 WJCUWSOHNWUVDO-UHFFFAOYSA-N 417.462 3.124 5 50 HGBA C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 821535 NKPZLUSHDXQMBB-CQSZACIVSA-N 403.460 3.410 5 50 HGBA O=C(c1ccccc1Br)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 4818963 LWSMGJHDSVCKEB-UHFFFAOYSA-N 408.227 3.459 5 50 HGBA CCOC(=O)C1=C(C)Nc2nc(-c3ccncc3)nn2[C@H]1c1cccc([N+](=O)[O-])c1 17087290 IHXFSSCETBZFCV-KRWDZBQOSA-N 406.402 3.100 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(Br)cc2)CC1 19782477 AISVPWWLUVGOQS-UHFFFAOYSA-N 404.264 3.315 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@H]4C3(C)C)cc2)c(C)c1[N+](=O)[O-] 241301063 LQAKGEDGRHSJJF-MISYRCLQSA-N 412.490 3.342 5 50 HGBA CC[C@H]1CCc2c(sc3ncn4nc(Cn5cc([N+](=O)[O-])c(OC)n5)nc4c23)C1 2789830 UKCTXUWPGZPFBE-JTQLQIEISA-N 413.463 3.016 5 50 HGBA O=C(O)c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(I)cc1 3150092 OBEMRDJQTKYLLP-UHFFFAOYSA-N 412.139 3.150 5 50 HGBA COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 252441134 HWQOIKLWBXMRDS-TUNHPGHQSA-N 402.511 3.252 5 50 HGBA biogenic Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 2881342 SMSBCOHDOSGFOU-HNNXBMFYSA-N 405.476 3.313 5 50 HGBA Cc1nn(Cc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1n[nH]cc1[N+](=O)[O-] 6413250 SHKKNLCVNBMKNU-UHFFFAOYSA-N 408.340 3.451 5 50 HGBA COc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 4831997 JJLDOGAAPNYCRJ-UHFFFAOYSA-N 402.354 3.451 5 50 HGBA O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1)OCc1ccccc1 5059468 JRZSYBZCORPFOK-HXUWFJFHSA-N 411.458 3.491 5 50 HGBA CN(CC1(c2ccc(Br)cc2)CC1)C(=O)c1cc([N+](=O)[O-])cnc1O 170638212 JMTDHULNGOKRQQ-UHFFFAOYSA-N 406.236 3.262 5 50 HGBA COc1c(F)c(F)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1F 4810549 VMTNLUIGDJKCCX-UHFFFAOYSA-N 413.327 3.122 5 50 HGBA O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCCC3)c(F)cc2[N+](=O)[O-])CC1 4499185 RXRGXQWLGAJNSN-UHFFFAOYSA-N 416.428 3.436 5 50 HGBA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)CC1 20109749 IYVAGEWTVIFIOU-GOSISDBHSA-N 405.882 3.119 5 50 HGBA C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 3610100 COLUFNDMMVAVHD-AWEZNQCLSA-N 403.460 3.268 5 50 HGBA Cc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 4688535 HWDCBFDCWPYLHY-UHFFFAOYSA-N 418.906 3.394 5 50 HGBA O=C(Oc1ccc(Br)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4846138 HJYDZIRQLSKOQG-UHFFFAOYSA-N 407.220 3.413 5 50 HGBA Cc1ccc2c(CN3CCN(C(=O)c4ccc(C)c([N+](=O)[O-])c4)CC3)cc(=O)oc2c1 20375702 UMNQNRUUGMFJSD-UHFFFAOYSA-N 421.453 3.276 5 50 HGBA CC(C)(C)[C@@H]1CCCC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 920054537 NKGBIGYYDAHSCO-NXWXRZEISA-N 407.511 3.141 5 50 HGBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(Cl)c(Cl)c1 1136821 WIBDOKCMONHHAY-UHFFFAOYSA-N 409.181 3.241 5 50 HGBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccn1 4354059 OMPMYIJNHGPYGB-UHFFFAOYSA-N 412.427 3.351 5 50 HGBA O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 13942224 MNJBSFUGHFASAM-CXUHLZMHSA-N 414.395 3.295 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252441211 KIPHTHYSVQAMJV-DUWQSBIQSA-N 417.573 3.270 5 50 HGBA COc1ccc(CN(CC2CCC2)c2nc3ccccn3c(=O)c2[N+](=O)[O-])c(OC)c1 225751418 KXMUEMLUISTTFP-UHFFFAOYSA-N 424.457 3.427 5 50 HGBA COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc(C(=O)N(C)C)c1C 656871 CWHAIZFYHLYHCM-CMDGGOBGSA-N 417.443 3.105 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Br 5014653 QVIBCAOUPLDKHT-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 100987460 YHAIIFKULHAYLW-RTBURBONSA-N 406.394 3.407 5 50 HGBA COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] 1138137 WERNFRODVAWWHS-UHFFFAOYSA-N 419.459 3.030 5 50 HGBA CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Cl)cc1 2884238 VWCPTVFXNKUZIB-UHFFFAOYSA-N 411.867 3.206 5 50 HGBA Cc1nn(CCC(=O)Nc2nccn2Cc2ccccc2Cl)c(C)c1[N+](=O)[O-] 225390960 PFOJRNADUHPNBT-UHFFFAOYSA-N 402.842 3.335 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 1772493046 UKHLKPBTNRMFRJ-WEWYMXTJSA-N 409.594 3.426 5 50 HGBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(C)cc(C)c1)S(C)(=O)=O 2871859 VBSNQWHCRREONV-AWEZNQCLSA-N 421.475 3.013 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl 4663505 GZQFMIBABLCMQK-UHFFFAOYSA-N 404.879 3.085 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1014032 JYCINFKAGWJTLI-KRWDZBQOSA-N 423.878 3.348 5 50 HGBA COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1NC(=O)[C@](F)(OC)C(F)(F)F 12417690 DGEOAACOOJUAPU-ZDUSSCGKSA-N 410.301 3.409 5 50 HGBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1176931 HAYBKCHPEBZNGW-UHFFFAOYSA-N 403.460 3.412 5 50 HGBA in-vitro CCOc1ccccc1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 13322855 YDZQLHPOUSXVIN-UHFFFAOYSA-N 414.462 3.352 5 50 HGBA COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1 13961486 BHWUYDNBPCLKOD-CRAIPNDOSA-N 404.444 3.279 5 50 HGBA O=C(NCc1cccnc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4863820 YHTPBCLIURXLPA-MOSHPQCFSA-N 402.410 3.077 5 50 HGBA CCc1csc(NC2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)n1 225390100 DLEOSVKCQHUQPE-UHFFFAOYSA-N 414.484 3.018 5 50 HGBA CCCC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1787043 YGQQUZSFYHWVSE-LLVKDONJSA-N 413.714 3.494 5 50 HGBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 4986502 CZJPNYQWHMICQN-KRWDZBQOSA-N 408.863 3.078 5 50 HGBA O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1ncnc2nc[nH]c12 8846509 BICNRUFKCWJSQG-UHFFFAOYSA-N 410.238 3.180 5 50 HGBA O=C(c1ccc2nc3cc(Cl)ccc3c(=O)n2c1)N1CCN(c2ccccc2)CC1 2965721 ROIQSWIWVWQNCY-UHFFFAOYSA-N 418.884 3.464 5 50 HGBA CCOC(=O)N[C@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 13879137 WRYKDVKNCSDFIN-VIFPVBQESA-N 415.686 3.324 5 50 HGBA O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 804971 TVTAROZZZQUKMA-UHFFFAOYSA-N 420.425 3.403 5 50 HGBA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 2813172 QSGJUNCVBOTHID-OVCLIPMQSA-N 418.383 3.073 5 50 HGBA COC(=O)c1ccccc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 679951 QXWLJHHXBQPCMO-UHFFFAOYSA-N 418.793 3.433 5 50 HGBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4)CC3)ccc2[N+](=O)[O-])n1 4687419 VASRYFLLGQNRIT-UHFFFAOYSA-N 405.458 3.360 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)O)ccc1Br 6166202 RUEDLDXSANCGSO-UHFFFAOYSA-N 415.221 3.165 5 50 HGBA CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 1053006 UCBGLAUGKGPDFP-IBGZPJMESA-N 416.459 3.054 5 50 HGBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCC4)c3)CC2)cc1 4331634 PMHQCZCBRFBTMN-UHFFFAOYSA-N 410.474 3.166 5 50 HGBA COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O 5041732 GNXKESWXIIZLHU-UHFFFAOYSA-N 413.459 3.210 5 50 HGBA C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 253426607 KIDVRWPGMGZIJA-WFASDCNBSA-N 404.467 3.297 5 50 HGBA O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(c3)OCO4)no2)n(Cc2ccc(F)cc2)n1 12374480 WNCAHQNMIZCQGQ-UHFFFAOYSA-N 409.333 3.424 5 50 HGBA O=C(Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)NCc1ccccc1 951903 VBMVMUKRDGWOFA-UHFFFAOYSA-N 420.450 3.350 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 662977 NJBGOMYMJXCUOM-QGZVFWFLSA-N 401.375 3.054 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)c1 6373293 UCJAJFLALSZLRT-UHFFFAOYSA-N 410.814 3.433 5 50 HGBA COc1cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)cc([N+](=O)[O-])c1O 19843000 JAAYBASAFUIYJC-INIZCTEOSA-N 413.415 3.386 5 50 HGBA Cc1nn(Cc2ccc(C(=O)N(C)[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc2)c(C)c1[N+](=O)[O-] 170636570 LQAKGEDGRHSJJF-RLLQIKCJSA-N 412.490 3.342 5 50 HGBA C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](Cc2nccn2C)C1 230091922 PZMRRKWELFZTSM-KBPBESRZSA-N 405.886 3.263 5 50 HGBA NC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(CCC2)c2cc(Br)ccc21 170614729 CODMPIZQXBHMLO-UHFFFAOYSA-N 403.236 3.425 5 50 HGBA CCCCOCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4181960 QXAAXRZYHZLSPO-UHFFFAOYSA-N 412.398 3.369 5 50 HGBA COc1ccccc1N1CCN(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 1166315 GXLQDUYZOPSYSV-UHFFFAOYSA-N 410.518 3.390 5 50 HGBA COc1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c([N+](=O)[O-])c1 13959925 MMFUQUBIZZOSQC-UHFFFAOYSA-N 411.374 3.317 5 50 HGBA O=C(Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 5068122 JQYQXXJLNLDRMR-UHFFFAOYSA-N 408.502 3.476 5 50 HGBA O=c1nc2ccc(Cl)cn2c2cc(Cl)c(S(=O)(=O)N3CCCCC3)cc12 4770011 FTLUTFIBCKKRMU-UHFFFAOYSA-N 412.298 3.329 5 50 HGBA Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 2794348 XLDMPRBXMQPERM-CQSZACIVSA-N 408.414 3.368 5 50 HGBA O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCc4ccccc43)cc12 4753539 JHOZXRWQAQDXBF-UHFFFAOYSA-N 411.870 3.253 5 50 HGBA Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 2885106 ODGSIKSADAOYBG-HNNXBMFYSA-N 405.476 3.313 5 50 HGBA O=C(O)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc([N+](=O)[O-])c1 6184298 WHCYEWNWDCDDAI-ZDUSSCGKSA-N 419.242 3.396 5 50 HGBA COc1ccc([C@@H](NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)c2ccccc2)cc1 15161884 AYTVHFQFLLOYCA-FQEVSTJZSA-N 423.450 3.432 5 50 HGBA Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 16400475 XWVIMIGDGMWZEO-UHFFFAOYSA-N 424.335 3.045 5 50 HGBA COc1ccc(Oc2cc(NC(=O)c3nn(C)cc3[N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 2735426 FRZIAIPAFVZFID-UHFFFAOYSA-N 413.346 3.290 5 50 HGBA CCOC(=O)c1c(NC(=O)[C@@H](C)n2nc(C)c([N+](=O)[O-])c2C)sc(C(C)=O)c1C 16474727 AGUCPBBPVBJLLC-LLVKDONJSA-N 422.463 3.357 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2OC)cc1[N+](=O)[O-] 1173750 KQGQZEOBVDITSG-UHFFFAOYSA-N 405.432 3.138 5 50 HGBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1nnc(-c2ccc(C(F)(F)F)cc2)[nH]1 225700662 RSISERYUDGZSTG-UHFFFAOYSA-N 407.308 3.416 5 50 HGBA O=C(NC1CCCCC1)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1049639 MJBOGHYLHKXHTF-UHFFFAOYSA-N 403.460 3.458 5 50 HGBA CCOC(=O)C1=C(CNc2cccc([N+](=O)[O-])c2)NC(=O)N[C@@H]1c1cc(C)ccc1C 1061580 DLNLQHLUAWUZKO-HXUWFJFHSA-N 424.457 3.495 5 50 HGBA COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CC[C@H](C(C)(C)C)C2 1178715 ODVHPLMHGKDEOC-NSHDSACASA-N 420.491 3.429 5 50 HGBA CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2C)cc1[N+](=O)[O-] 2999134 NZKYMXJDONIOIY-UHFFFAOYSA-N 403.416 3.127 5 50 HGBA O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 9892784 WXNWDDBDYIZLOE-UHFFFAOYSA-N 420.425 3.403 5 50 HGBA O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCCCCC1 839656 SKOXITIZGFTLGL-UHFFFAOYSA-N 417.487 3.193 5 50 HGBA O=C(Nc1ccc(Cl)cc1)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1 5064953 YXSVYRPGMYFCTH-UHFFFAOYSA-N 416.821 3.061 5 50 HGBA C[C@H]1CCCCN1C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5077857 VNSIQQLBKWFHKO-AWEZNQCLSA-N 403.460 3.410 5 50 HGBA O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 819726 CSYIHAJAMFENCL-CYBMUJFWSA-N 419.231 3.454 5 50 HGBA COC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 1118117 NNTFXJOJOXTEEI-UHFFFAOYSA-N 408.410 3.308 5 50 HGBA CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)s1 253418464 QVLOCKYDOSHGSJ-RBSFLKMASA-N 408.501 3.069 5 50 HGBA CCCCOc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 2508896 MQZKDRSBUZFXPE-AQTBWJFISA-N 422.466 3.453 5 50 HGBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4740924 GKJWJOQYPGHZCO-IBGZPJMESA-N 410.474 3.148 5 50 HGBA CN1CCN(c2ccccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 4688523 XXUBLUUZEVGFPN-UHFFFAOYSA-N 409.490 3.199 5 50 HGBA Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 36144289 MNJOBZVDZSUCLN-SXGWCWSVSA-N 413.411 3.284 5 50 HGBA COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1ccc([N+](=O)[O-])c(C)c1 13961489 BHWUYDNBPCLKOD-YJBOKZPZSA-N 404.444 3.279 5 50 HGBA C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 1049603 HIOHHDUGFZNPKC-VIFPVBQESA-N 418.258 3.207 5 50 HGBA Cc1c(NC2=NN=C(c3ccc([N+](=O)[O-])cc3)CS2)c(=O)n(-c2ccccc2)n1C 15659850 CYQONNAANMSEDT-UHFFFAOYSA-N 422.470 3.312 5 50 HGBA COc1cc(Cl)c(C)cc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 951530 GIGCUIIICNWKNS-UHFFFAOYSA-N 417.805 3.190 5 50 HGBA Cn1c(CN2CCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 6130200 WRSIRGMQCLTABN-UHFFFAOYSA-N 409.446 3.095 5 50 HGBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1 4543473 JGCDFHQJYOLVDM-UHFFFAOYSA-N 403.382 3.394 5 50 HGBA CC(C)(C)C(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4977860 ZYNZSXSPQROUHZ-UHFFFAOYSA-N 418.441 3.183 5 50 HGBA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 5094337 DEIHVLPTCSQTCT-UHFFFAOYSA-N 418.906 3.394 5 50 HGBA CCOC(=O)C1=C(C)NC(=O)N(C(=O)Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1432822 LLDXNDAQAYKMLZ-HXUWFJFHSA-N 423.425 3.268 5 50 HGBA CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@@H]4CCC[C@H]43)c([N+](=O)[O-])c2)CC1 230168057 LJUJKJKVFZEDCW-XUGKHLCVSA-N 423.535 3.210 5 50 HGBA O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1119216 LOWFMXNQDIAODS-UHFFFAOYSA-N 406.489 3.188 5 50 HGBA COc1ccc(C)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 18172626 WVWMMHDSSLGIRX-XFKLWTPLSA-N 411.462 3.438 5 50 HGBA Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccncc1 3578141 VPDPHLIBROTRIS-UHFFFAOYSA-N 404.839 3.170 5 50 HGBA Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)cc1 4091913 XMOSKEBAPAPKJJ-AWEZNQCLSA-N 409.895 3.456 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc([N+](=O)[O-])c1 1146377 QITMXBDOONHBDR-UHFFFAOYSA-N 418.258 3.306 5 50 HGBA Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 2885105 ODGSIKSADAOYBG-OAHLLOKOSA-N 405.476 3.313 5 50 HGBA COCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C(C)C)N2CCC(C)CC2)cc1OC 170595918 BXKFDZGKAMEMGI-GOSISDBHSA-N 423.510 3.072 5 50 HGBA O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2795496 ICVSWTCAWSVEJI-UHFFFAOYSA-N 420.404 3.476 5 50 HGBA O=C(NCc1cn(-c2cccc(Br)c2)nn1)Nc1ccccc1[N+](=O)[O-] 2325825179 HPRFKFMTVCOJKR-UHFFFAOYSA-N 417.223 3.260 5 50 HGBA COc1cc(OC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 4064191 QNECUEGDJBFBOE-UHFFFAOYSA-N 405.838 3.228 5 50 HGBA CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)CC1 1172060 LUKNWHLSEVCRCR-UHFFFAOYSA-N 403.460 3.268 5 50 HGBA CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 16381611 WDVZAXYDZCINSX-UHFFFAOYSA-N 418.258 3.161 5 50 HGBA COc1ccccc1Cn1ccc2nc3ccn(-c4ccccn4)c(=O)c3cc2c1=O 36359640 FCPUNEFMIZSYIO-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA CCOC(=O)c1c(NC(=O)[C@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 647849 HHULJJQVWFJLMA-NSHDSACASA-N 406.464 3.498 5 50 HGBA CCn1nccc1CN(Cc1ccccc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 20602718 WDAZSJBKEWBFEH-UHFFFAOYSA-N 400.460 3.202 5 50 HGBA Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 20109734 VTUDFSVNHJBEGW-QGZVFWFLSA-N 405.882 3.119 5 50 HGBA CCc1ccc(OCn2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cn2)cc1 2804886 NSBREDUOZMYQBX-UHFFFAOYSA-N 402.432 3.191 5 50 HGBA CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl 12413987 YQFQTDXYGVPYFT-UHFFFAOYSA-N 418.258 3.404 5 50 HGBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 1105268 NEXSMSCCTBHEKM-LFYBBSHMSA-N 401.444 3.031 5 50 HGBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(F)cc1 9087690 IKBSLVAUOGZARK-UHFFFAOYSA-N 422.869 3.224 5 50 HGBA COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1Br 2853419 HDCPBOXBTCQZIU-UHFFFAOYSA-N 401.238 3.475 5 50 HGBA Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cccc1[N+](=O)[O-] 3991739 QSTNIUWYTMLALR-UHFFFAOYSA-N 418.456 3.413 5 50 HGBA Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2cccnc2)cc1 5935697 ZXNASIQZEHRMGP-BKUYFWCQSA-N 416.437 3.386 5 50 HGBA O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccccc2CN2CCC(O)CC2)n1 170606833 MSWJSAXEYCPJJU-RTWAWAEBSA-N 413.522 3.022 5 50 HGBA COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O 5027806 RDSAELJKYQOREN-UHFFFAOYSA-N 421.475 3.132 5 50 HGBA Cn1c(C(=O)NCc2ccc(O)c([N+](=O)[O-])c2)c(Br)c2ccccc21 2325862756 HLLDHEQTBHGUBN-UHFFFAOYSA-N 404.220 3.485 5 50 HGBA CCOC(=O)c1sc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)nc1C 45068019 WSMIWDJZTBEJAV-UHFFFAOYSA-N 422.444 3.408 5 50 HGBA COc1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 2344497 KBRLGGSZUWYEGD-UHFFFAOYSA-N 414.414 3.447 5 50 HGBA O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4090351 RBPYEVYOVCRZHW-UHFFFAOYSA-N 404.264 3.249 5 50 HGBA O=[N+]([O-])c1ccc(-n2cc(CN=c3[nH]c4ccc(Br)cc4[nH]3)cn2)cc1 1875353439 SMWCJIBVIJYBFO-UHFFFAOYSA-N 413.235 3.453 5 50 HGBA COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c2ncccc2c1 4311721 SKGNGPLZCASGNB-UHFFFAOYSA-N 421.457 3.156 5 50 HGBA biogenic C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(-n2ccnc2)cc1 4623913 CSZNAUMEUWTBGB-ZDUSSCGKSA-N 404.382 3.378 5 50 HGBA CCN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 4998716 QYRKFNCPLIZLQG-UHFFFAOYSA-N 418.881 3.408 5 50 HGBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1143196 HBUQHERWHXDQST-INIZCTEOSA-N 404.398 3.305 5 50 HGBA CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 806951 QTEYXGUOISQTCJ-UHFFFAOYSA-N 420.853 3.398 5 50 HGBA COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1Br 1111690 DFFJAMHOGILRLD-UHFFFAOYSA-N 417.237 3.175 5 50 HGBA CCOC(=O)c1c(NC(=O)CCCn2cc([N+](=O)[O-])cn2)sc2c1CCCC2 4686842 COLDTGNJXQIXQX-UHFFFAOYSA-N 406.464 3.327 5 50 HGBA CCOc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1 19878573 SFHZBMUHVBHBQH-INIZCTEOSA-N 416.411 3.116 5 50 HGBA CCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3018982 GQVRDTOLEUVGMT-NSHDSACASA-N 400.602 3.494 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3cccc4ccccc34)CC2)cc1 19376383 XDTHRGFNNSRKER-UHFFFAOYSA-N 411.483 3.255 5 50 HGBA Cc1cc(C)cc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 2881343 SMSBCOHDOSGFOU-OAHLLOKOSA-N 405.476 3.313 5 50 HGBA COC(=O)c1cc(Br)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 942073 LTBZDMNQYVMVEM-UHFFFAOYSA-N 409.192 3.161 5 50 HGBA O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1cccc(-c2noc(C3CC3)n2)c1 225528548 HYUNCZKLHXETOO-UHFFFAOYSA-N 404.386 3.329 5 50 HGBA COc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3[N+](=O)[O-])N=C2S)cc1 685214 GFPYURWUHJGFBO-ZSOIEALJSA-N 415.427 3.294 5 50 HGBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccccc3)c2)c1 1136817 VQUKWCWEGPQDDF-UHFFFAOYSA-N 418.452 3.228 5 50 HGBA COc1ccc(C(=O)N2N=C(c3ccc([N+](=O)[O-])cc3)C[C@]2(O)C(F)(F)F)cc1 1161000 KDXSHMJXPIXJFF-KRWDZBQOSA-N 409.320 3.105 5 50 HGBA C[C@@H](NC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4688197 RYWQMHGZCLKYJN-LRYXAPPNSA-N 412.534 3.339 5 50 HGBA O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCOc2c(Br)cccc21 225710228 OIORKIFPRUCVKF-HNNXBMFYSA-N 407.220 3.376 5 50 HGBA CC(=O)Oc1ccc2c(c1)oc(=O)c1c3cc(OC(C)=O)c(OC(C)=O)cc3oc21 712672 XZTLRBKHOHDMTG-UHFFFAOYSA-N 410.334 3.468 5 50 HGBA endogenous,in-man Cc1c([N+](=O)[O-])c(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)nn1C 2781499 ZTEFMFFIOCLEJB-JTQLQIEISA-N 419.507 3.200 5 50 HGBA O=C(Nc1ccc(O)cc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4550996 DYFYGJKQIVFRBS-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4715865 NQOPLJSOTYEODX-UHFFFAOYSA-N 413.459 3.342 5 50 HGBA CCOC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 13879136 WRYKDVKNCSDFIN-SECBINFHSA-N 415.686 3.324 5 50 HGBA C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](Cc2nccn2C)C1 230091916 PZMRRKWELFZTSM-KGLIPLIRSA-N 405.886 3.263 5 50 HGBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(I)c1 1217996 AAAHEVGZGBNKFN-UHFFFAOYSA-N 404.185 3.000 5 50 HGBA C[C@H](Cc1ccccc1F)C(=O)N1CC=C[C@@H](NC(=O)c2csc([N+](=O)[O-])c2)C1 1875328285 JGKGGFMGMGMYOJ-CZUORRHYSA-N 417.462 3.171 5 50 HGBA O=[N+]([O-])c1cccc(C2OCC3(CO2)COC(c2cccc([N+](=O)[O-])c2)OC3)c1 1567249 LRYMBMFAOCJSES-UHFFFAOYSA-N 402.359 3.280 5 50 HGBA CCCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21 100894052 SDKIKHGKGDAAHA-MRXNPFEDSA-N 415.497 3.420 5 50 HGBA COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 170604986 KAXGEHOSPJINHU-SNVBAGLBSA-N 414.386 3.041 5 50 HGBA O=C(NCc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1149648 MTIKHHRLNVOJAY-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 34118360 PHVJOZFYTCDHBH-JVSBHGNQSA-N 415.446 3.406 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)CC1 101073269 CFDWYVNTLZLSIP-RPJSYZBDSA-N 411.458 3.123 5 50 HGBA CCCC(=O)N[C@@H](NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl 4017704 BWBXBQNTFCLKDX-NSHDSACASA-N 413.714 3.494 5 50 HGBA Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 20109735 VTUDFSVNHJBEGW-KRWDZBQOSA-N 405.882 3.119 5 50 HGBA COc1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1)CC2 110317422 SXBRJLGYSGGDEQ-NRFANRHFSA-N 423.469 3.101 5 50 HGBA O=C1CCCN1c1cccc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1 253426942 JIKWPKSUZJTBAL-UHFFFAOYSA-N 413.814 3.315 5 50 HGBA O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1 8742273 JJGZUIQANDKONY-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA O=[N+]([O-])[C@]1(Br)[C@H]2CC[C@H]3C2C2[C@H]1CC[C@H]2[C@]3(Br)[N+](=O)[O-] 257355419 APDJUJGOFIVMHZ-HJYWZDCTSA-N 410.062 3.034 5 50 HGBA CC(C)n1nccc1NC(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778921 RBYQTSLAIIOGSU-RYUDHWBXSA-N 424.841 3.363 5 50 HGBA C/C(Cl)=C/CN1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 4951509 DZUGVVXEURRXCB-BOTYTDAASA-N 408.841 3.410 5 50 HGBA Cc1cc(S(=O)(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-] 253428483 LCQFCKVQCHSZHS-UHFFFAOYSA-N 415.402 3.469 5 50 HGBA CC[C@@]1(C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C1(C(=O)OC)C(=O)OC 896639 LTZZMGVLESYPMC-UWJYYQICSA-N 411.410 3.304 5 50 HGBA O=C1[C@H]2[C@H](C(=O)N1Cc1ccco1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1156431 DADPRFQNFDMKOD-JVVKFSLBSA-N 400.390 3.060 5 50 HGBA O=C(COC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1 1312557 KSYQJWVVNLMXQS-UHFFFAOYSA-N 409.148 3.305 5 50 HGBA COc1cc(C(=O)Nc2ccncc2C(=O)C(C)C)c([N+](=O)[O-])c(OC)c1OC 170600386 GOHBXLZOSOYMJM-UHFFFAOYSA-N 403.391 3.107 5 50 HGBA Cc1c(Nc2cc(Cl)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 4211559 VEBFQFOWBNEFAP-UHFFFAOYSA-N 400.782 3.326 5 50 HGBA O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)N1 1167445 AJOGEPNBRSANJX-RIYZIHGNSA-N 418.203 3.117 5 50 HGBA Cc1cc(OCc2ccc(-c3nc4c5cnn(C)c5ncn4n3)o2)ccc1[N+](=O)[O-] 2802618 PVNRZLKDNGITRU-UHFFFAOYSA-N 405.374 3.067 5 50 HGBA CC[C@H](CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)N1CCc2ccccc2C1 464005156 IVIOBDJSNHSCIM-LJQANCHMSA-N 424.501 3.103 5 50 HGBA O=C(NCc1ccncc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 4869711 KREIAAKOZJMRLV-ZHZULCJRSA-N 402.410 3.077 5 50 HGBA CCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)ccc1[N+](=O)[O-] 4703763 USASXDKWKYTLSP-UHFFFAOYSA-N 418.519 3.154 5 50 HGBA O=[N+]([O-])c1ccc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 19853889 QKHSXFQVYUGQAG-UHFFFAOYSA-N 411.483 3.255 5 50 HGBA CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)s1 253418459 QVLOCKYDOSHGSJ-KFWWJZLASA-N 408.501 3.069 5 50 HGBA COc1cc(CO)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1117089 HFAUGWRRTVCOPY-UHFFFAOYSA-N 415.183 3.279 5 50 HGBA Cc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3[N+](=O)[O-])CC2)c(F)cc1[N+](=O)[O-] 15188771 MSVQKXWSCUTACU-UHFFFAOYSA-N 424.335 3.191 5 50 HGBA CCOC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3130803 ZUUXDEJXSMVTKP-SECBINFHSA-N 415.686 3.324 5 50 HGBA O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 4819069 XFTKARZMDBOOAC-UHFFFAOYSA-N 415.393 3.125 5 50 HGBA O=[N+]([O-])[C@]1(Br)[C@H]2CC[C@@H]3[C@H]2[C@H]2[C@H]1CC[C@H]2[C@]3(Br)[N+](=O)[O-] 257355420 APDJUJGOFIVMHZ-RBLWNENSSA-N 410.062 3.034 5 50 HGBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 101280840 VCBBKUKHEKXBJD-CPLUKWAASA-N 419.437 3.183 5 50 HGBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 239231195 VCBBKUKHEKXBJD-XAMWDVODSA-N 419.437 3.183 5 50 HGBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 2082243 PRSGHGJPXZJJBT-NSHDSACASA-N 419.507 3.050 5 50 HGBA CCc1nnc2sc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nn12 2865858 MBIJWUXZXYCIEQ-UHFFFAOYSA-N 424.442 3.341 5 50 HGBA O=[N+]([O-])C1(Br)[C@@H]2CC[C@@H]3C2C2[C@H]1CC[C@H]2C3(Br)[N+](=O)[O-] 86068381 APDJUJGOFIVMHZ-JDSBRCTPSA-N 410.062 3.034 5 50 HGBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccnc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 226985184 SIPUPZSEKHAJRB-SLFFLAALSA-N 416.393 3.041 5 50 HGBA C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 821534 NKPZLUSHDXQMBB-AWEZNQCLSA-N 403.460 3.410 5 50 HGBA Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)c([N+](=O)[O-])c1 6690884 XCEYYOYUEUFYBH-UHFFFAOYSA-N 403.460 3.350 5 50 HGBA O=C(Nc1ccc(O)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1200253 OQWVHOXIDBZWQU-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA O=c1[nH]c(/C=C\c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c(=O)[nH]1 30840499 FTMHUVKYFDNPNO-ALCCZGGFSA-N 404.176 3.164 5 50 HGBA O=C(Nc1cccc(O)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1198793 QVXGEXOIPYJRDZ-UHFFFAOYSA-N 403.350 3.353 5 50 HGBA CC(=O)c1cc2c(cc1NC(=O)CSc1nc3cc([N+](=O)[O-])ccc3[nH]1)OCO2 13153360 YZEDGPGEWQJGHN-UHFFFAOYSA-N 414.399 3.133 5 50 HGBA COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(C)c(Br)c3)[n+]2[O-])cc1 16311832 WFHHTDIXLPIURL-UHFFFAOYSA-N 420.223 3.237 5 50 HGBA 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(CCC=C(C)C)[C@@H]1O 252462577 UKHLKPBTNRMFRJ-YPMHEEFESA-N 409.594 3.426 5 50 HGBA biogenic O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 10003614 YRMMFFKDYCVCQI-UHFFFAOYSA-N 423.347 3.305 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1128296 NADWIAYODRTLEL-UHFFFAOYSA-N 411.439 3.326 5 50 HGBA O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(CN3CCC(O)CC3)cc2)n1 170606828 KHJVUDSKJNIBPC-LEWJYISDSA-N 413.522 3.022 5 50 HGBA O=C(O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)Cc2ccnn2C1 1875324133 IQKWAHURTQHWHZ-LBPRGKRZSA-N 416.821 3.421 5 50 HGBA O=Cc1ccc(OC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1136737 KUJCAGNQVJPJAC-UHFFFAOYSA-N 411.391 3.459 5 50 HGBA CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C 2997468 MWIQYXGVDIHLGG-UHFFFAOYSA-N 406.416 3.489 5 50 HGBA O=C(NC1CCCCC1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 754943 HKWZMVWTJPFESG-FQEVSTJZSA-N 421.453 3.251 5 50 HGBA CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCC2 1068457 UHRQWJQQSBTKKP-UHFFFAOYSA-N 406.464 3.164 5 50 HGBA CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@](O)(c2ccc(Br)cc2)C1 1214666 LVSUZCIUZADZCW-KRWDZBQOSA-N 404.220 3.424 5 50 HGBA Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)c(C)c1[N+](=O)[O-] 2746126 AJUVKLXILVAQCT-UHFFFAOYSA-N 406.464 3.162 5 50 HGBA Cc1ccc(C(=O)[C@@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13582235 TUHGGHNGNPMCAZ-MPGHIAIKSA-N 423.347 3.007 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101906768 RBDWYZDEPMUFOX-IQGAEYHTSA-N 417.421 3.467 5 50 HGBA COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@@H]12 1857526074 HWQOIKLWBXMRDS-UNVYZPBBSA-N 402.511 3.252 5 50 HGBA Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 4550340 BMOMSUIYMJBKFH-UHFFFAOYSA-N 418.906 3.394 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl 1152679 MMPWUESACOZIIO-UHFFFAOYSA-N 418.258 3.306 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 882010 RAVSGESYACOXAL-UHFFFAOYSA-N 410.249 3.493 5 50 HGBA O=C(CCc1ccccc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]1(O)C(F)(F)F 1215297 UZAGSRLMMDNPMO-SFHVURJKSA-N 407.348 3.415 5 50 HGBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 4740922 OGVOKPIFRCFYAY-INIZCTEOSA-N 416.503 3.210 5 50 HGBA O=C(c1ccc(F)cc1Br)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 170631652 CXCLUSZPQXNROP-NSHDSACASA-N 409.215 3.218 5 50 HGBA COCCn1cc([C@H]2[C@H](CNc3ccccc3[N+](=O)[O-])CC(=O)N2C(C)(C)C)cn1 328604272 JEMAOSCCCHXNTA-MGPUTAFESA-N 415.494 3.238 5 50 HGBA COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 2212505 UAVUMEAJRHOCCM-UHFFFAOYSA-N 400.460 3.330 5 50 HGBA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 19831854 BXASVFQKBLRSFH-UHFFFAOYSA-N 410.474 3.280 5 50 HGBA CS(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 1115812 QCTHXIPONSNGOV-UHFFFAOYSA-N 417.365 3.018 5 50 HGBA O=C(Nc1ccccc1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 1232584 JKQPZJOYYFOJSP-HXUWFJFHSA-N 415.405 3.441 5 50 HGBA CCCC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 3878013 YXOAGXRBNQCAEX-LLVKDONJSA-N 413.714 3.494 5 50 HGBA Cc1cccn(C(=O)c2ccccc2[N+](=O)[O-])/c1=N/C(=O)c1ccccc1[N+](=O)[O-] 17083356 XZXSEOJRENPLBE-DYTRJAOYSA-N 406.354 3.043 5 50 HGBA CCOC(=O)[C@H]1CS[C@@H](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1 35636017 ZVYIJXLMBWCGHP-MOPGFXCFSA-N 402.472 3.311 5 50 HGBA in-vitro COc1ccc(C(=O)NC(=S)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] 2845589 HVZJRMTYZGGGHS-UHFFFAOYSA-N 406.420 3.479 5 50 HGBA CC1=NN(C(=O)c2cccc([N+](=O)[O-])c2)[C@](O)(c2ccc(Br)cc2)C1 1214669 LVSUZCIUZADZCW-QGZVFWFLSA-N 404.220 3.424 5 50 HGBA Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 441926402 ZYCLTHKQBQRVIK-KDOFPFPSSA-N 416.503 3.103 5 50 HGBA COc1ccccc1[C@@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 252441133 HWQOIKLWBXMRDS-OXPQSZPRSA-N 402.511 3.252 5 50 HGBA Cc1nc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c([N+](=O)[O-])cc1Br 1875316984 KNOLBWCNYSWXCD-OAHLLOKOSA-N 420.311 3.414 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 8846738 YMFYDZKWYBHYBF-UHFFFAOYSA-N 416.286 3.413 5 50 HGBA O=C(CN1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1 17087519 RAAOIRDDLGTNOY-UHFFFAOYSA-N 406.845 3.144 5 50 HGBA Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 100962398 YQTPUYYGKCUYOL-HZVDNRATSA-N 417.421 3.467 5 50 HGBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 1875363303 ASIICBVDJKCPQD-UHFFFAOYSA-N 413.415 3.435 5 50 HGBA COc1nn([C@@H](C)c2nc3c4c5c(sc4ncn3n2)C[C@H](C)CC5)cc1[N+](=O)[O-] 2788905 FUWGAJWLNYVFKO-ZJUUUORDSA-N 413.463 3.186 5 50 HGBA CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(Cn3cc([N+](=O)[O-])cn3)c2)s1 2735376 WNRVYGYURWEWBW-UHFFFAOYSA-N 413.459 3.376 5 50 HGBA CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(=O)CSC2=N1 4906866 CWIHDRWEGLPXTQ-SFHVURJKSA-N 408.439 3.494 5 50 HGBA COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 944353 DIWNUQMHWZCVJK-SFHVURJKSA-N 406.402 3.123 5 50 HGBA Cc1nc(-c2nc(C[C@H](O)c3ccc(Br)cc3)no2)ccc1[N+](=O)[O-] 2325821984 SJNOFVTVGMMIQP-AWEZNQCLSA-N 405.208 3.387 5 50 HGBA COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c([N+](=O)[O-])c1 4833059 UXVJKPNHZHZFKZ-UHFFFAOYSA-N 400.416 3.308 5 50 HGBA CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2cc([N+](=O)[O-])ccc21 15016803 LYAZIDASBICNOL-GOSISDBHSA-N 419.231 3.184 5 50 HGBA COc1cccc(-n2ccc3nc4ccn(Cc5cccnc5)c(=O)c4cc3c2=O)c1 38829145 UXAHPZXAFRWTHP-UHFFFAOYSA-N 410.433 3.153 5 50 HGBA 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(Cc2ccccc2)[C@H]1O 252441212 KIPHTHYSVQAMJV-MFGYYNSVSA-N 417.573 3.270 5 50 HGBA O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1911521 ZBFIMVREBRDIES-UHFFFAOYSA-N 422.422 3.343 5 50 HGBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)c1 6373292 FYIOYUJLPNKESB-UHFFFAOYSA-N 410.814 3.433 5 50 HGBA O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(COc3cccc(Cl)c3)c2)cc1 2804124 AHXPIPNTIYUGNW-UHFFFAOYSA-N 408.823 3.282 5 50 HGBA Cc1csc(Sc2ccc(C(=O)NC[C@@H](C)c3ncon3)cc2[N+](=O)[O-])n1 1875303184 ADIMMYPFRMPVHW-SECBINFHSA-N 405.461 3.427 5 50 HGBA Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] 100056849 XROZFECVURUPJB-UHFFFAOYSA-N 412.322 3.271 5 50 HGBA CCOC(=O)c1c(NC(=O)[C@@H](C)n2cc([N+](=O)[O-])cn2)sc2c1CCCCC2 2727132 HHULJJQVWFJLMA-LLVKDONJSA-N 406.464 3.498 5 50 HGBA O=C(CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)NC1CCCCC1 2999777 BILCEMFYYPPEFB-UHFFFAOYSA-N 421.504 3.240 5 50 HGBA O=C(COC(=O)c1ccccc1I)c1cccc([N+](=O)[O-])c1 1092725 RMOYRZXIWRUQHR-UHFFFAOYSA-N 411.151 3.239 5 50 HGBA COc1cccc(OC)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1O 2841590 HPGKWYQUCSRBQS-UHFFFAOYSA-N 411.823 3.098 5 50 HGBA O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F 4978457 OXLTWOJACBYUII-UHFFFAOYSA-N 400.410 3.411 5 50 HGBA O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@H]1CC[C@H](C(=O)O)CC1 238950247 XHVFBECDJUGMAD-SHTZXODSSA-N 409.438 3.332 5 50 HGBA biogenic O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8387294 KSQVZTUVPKUFRZ-UHFFFAOYSA-N 424.281 3.154 5 50 HGBA CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1C 2058766 OPFKYNWZMSLJHN-LJQANCHMSA-N 411.414 3.187 5 50 HGBA CCn1nccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 20602578 KSZWEVDRMHNADX-UHFFFAOYSA-N 400.460 3.202 5 50 HGBA CCOc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1 8741843 SFHZBMUHVBHBQH-MRXNPFEDSA-N 416.411 3.116 5 50 HGBA CCOC(=O)C1=C(CN(C(C)C)C(C)C)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 55246622 AHUHMRQRLZOEJP-LJQANCHMSA-N 418.494 3.227 5 50 HGBA COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c(F)cc1F 408515674 WCTDAYOSZKIDAG-UHFFFAOYSA-N 424.740 3.253 5 50 HGBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nnc(S)s1 2976359 BIYQXIUQUCDWAZ-UHFFFAOYSA-N 403.410 3.180 5 50 HGBA CCC[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 2851454 YAZLYXZFWUICEY-OAHLLOKOSA-N 405.476 3.095 5 50 HGBA Cc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccncc2)cc1 4935763 KLQZCVAZYWVIOC-STZFKDTASA-N 416.437 3.386 5 50 HGBA Cc1ccc(S(=O)(=O)N(CC(=O)c2ccccc2)c2ccncc2[N+](=O)[O-])cc1 230138535 AWULAZAWBNVAFF-UHFFFAOYSA-N 411.439 3.376 5 50 HGBA Cn1ncc2c1ncn1nc(-c3cccc(COc4ccc([N+](=O)[O-])cc4)c3)nc21 2802182 WAWFXZKMJKENDT-UHFFFAOYSA-N 401.386 3.165 5 50 HGBA COC(=O)c1ccc(Oc2ccc(C(OC(C)=O)OC(C)=O)cc2[N+](=O)[O-])cc1 8729714 PJDXVUJIKGWDQJ-UHFFFAOYSA-N 403.343 3.299 5 50 HGBA CCn1cc(CN(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 20602074 JFYBZNJLJJWWCB-UHFFFAOYSA-N 400.460 3.202 5 50 HGBA 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(Cc2ccccc2)[C@@H]1O 252461078 KIPHTHYSVQAMJV-WSVHBSHTSA-N 417.573 3.270 5 50 HGBA biogenic O=C(COc1ccc(Br)cc1)NC(=S)Nc1cccc([N+](=O)[O-])c1 1131857 PGUKADDZYNZJPB-UHFFFAOYSA-N 410.249 3.249 5 50 HGBA COc1ccc(C(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1[N+](=O)[O-] 20259360 RGIBZWINOIYRQL-UHFFFAOYSA-N 407.829 3.354 5 50 HGBA O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 1067597 VEEOVOMRNCXOAT-UHFFFAOYSA-N 407.361 3.485 5 50 HGBA O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc([N+](=O)[O-])c1 2790493 ZAPNXIJOKUQUSZ-UHFFFAOYSA-N 404.429 3.104 5 50 HGBA CCCC(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 3018980 GQVRDTOLEUVGMT-LLVKDONJSA-N 400.602 3.494 5 50 HGBA O=C(Nc1cccc2ccccc12)OCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4955677 DDSSRLLVMTVWRT-UHFFFAOYSA-N 415.427 3.275 5 50 HGBA COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1NC(=O)[C@@](F)(OC)C(F)(F)F 12417692 DGEOAACOOJUAPU-CYBMUJFWSA-N 410.301 3.409 5 50 HGBA O=C(COc1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8741133 SNEILHQGIQKOIX-UHFFFAOYSA-N 420.263 3.085 5 50 HGBA CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] 920778919 RBYQTSLAIIOGSU-NEPJUHHUSA-N 424.841 3.363 5 50 HGBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2cccs2)CC1 15161907 OUCSISBSZAYFJI-UHFFFAOYSA-N 421.422 3.186 5 50 HGBA CCCC(=O)N[C@@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 1787044 YGQQUZSFYHWVSE-NSHDSACASA-N 413.714 3.494 5 50 HGBA Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Br)cc32)cc1[N+](=O)[O-] 6686567 DOBSFZOHFAENBR-KRWDZBQOSA-N 405.204 3.078 5 50 HGBA O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 1175918 PPCOQGNQTQFSOS-UHFFFAOYSA-N 403.438 3.311 5 50 HGBA CN1CCN(c2ccc(C(=O)Oc3ccc(Br)cc3)cc2[N+](=O)[O-])CC1 16212850 KJEZAWZHESBRFB-UHFFFAOYSA-N 420.263 3.328 5 50 HGBA O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCS(=O)(=O)c2ccccc2C1 444339076 ONRODFAZZQSHRB-UHFFFAOYSA-N 418.474 3.111 5 50 HGBA