smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C1CCC(=O)N1CCn1c2ccc(Br)cc2c2nc3ccccc3nc21 6148185 SMZJBHZIRJPNLR-UHFFFAOYSA-N 423.270 3.649 5 50 HHBA CCCc1[nH]nc(-c2nc(-c3ccc(OCc4cccnc4)cc3)no2)c1[N+](=O)[O-] 170609051 NWAAYNXEBSDREK-UHFFFAOYSA-N 406.402 3.961 5 50 HHBA COc1ccc(C2(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCCC2)cc1OC 4811793 BFDDJLOCCJLSRL-UHFFFAOYSA-N 414.458 3.862 5 50 HHBA O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 2112659 IASVUFZJYHCHAS-UHFFFAOYSA-N 417.765 3.784 5 50 HHBA Cc1ccc2[nH]c(C)c(CCNS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)c2c1 4594445 MSDGEQMGANJYMF-UHFFFAOYSA-N 407.879 3.867 5 50 HHBA O=[N+]([O-])c1c(Br)cccc1S(=O)(=O)NC[C@@H](F)C1CCCCC1 2325874351 JOUVVQMBWOZRAS-GFCCVEGCSA-N 409.277 3.554 5 50 HHBA C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 252693383 DBFROQUVDRUPBV-JYJNAYRXSA-N 423.465 3.721 5 50 HHBA biogenic O=C(O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 13304093 LWZQESOJUIEURN-UHFFFAOYSA-N 414.395 3.886 5 50 HHBA COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2C)cc1 1013801 ZAMGLPFIIJJYIS-UHFFFAOYSA-N 419.484 3.805 5 50 HHBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CCC2 252441142 IDLJIYQNWQWRCQ-QILISPFLSA-N 415.554 3.740 5 50 HHBA biogenic O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 1892000 DEYMPUOVOUAIGL-UHFFFAOYSA-N 423.859 3.790 5 50 HHBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1142628 NHLFUCHKZZATOG-UHFFFAOYSA-N 411.867 3.577 5 50 HHBA C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 170591395 HHZJHHFVAZCACV-LLVKDONJSA-N 402.289 3.702 5 50 HHBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1C1CCCCC1 1155305 KFFXKXIUYISEFM-CAZKKTPXSA-N 402.450 3.600 5 50 HHBA Cc1cc(C)cc(Oc2cc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc([N+](=O)[O-])c2)c1 2112729 BVVYKYLKPZLQEU-UHFFFAOYSA-N 411.374 3.747 5 50 HHBA CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N=C1S 4754415 AHNHUUODYFKCRF-DHDCSXOGSA-N 403.847 3.926 5 50 HHBA CCc1[nH]nc(-c2nc(-c3cccc(Cn4cnc5ccccc54)c3)no2)c1[N+](=O)[O-] 170615952 XBCUVYAJLCNDNI-UHFFFAOYSA-N 415.413 3.995 5 50 HHBA O=C(O)c1ccccc1N1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C1=O 754575 NVGRHVCQPBQTRW-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA O=C1OCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(C(F)(F)F)cc1 1429771 XXAQKSDMAWPLOT-OAHLLOKOSA-N 418.327 3.945 5 50 HHBA O=C(NCCCN(C(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 4725043 RXIHZGDEZOOEAG-UHFFFAOYSA-N 407.426 3.584 5 50 HHBA CCCCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 1772492960 DAECYOJSYCGTFP-FUVXTPHSSA-N 411.610 3.650 5 50 HHBA C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4690828 RRJHPHLJAONTNK-ZDUSSCGKSA-N 413.459 3.594 5 50 HHBA O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 1173178 DECWXYLFHMBUJC-UHFFFAOYSA-N 420.450 3.974 5 50 HHBA aggregator CCCc1noc2nc(C3CC3)cc(C(=O)N3CCC(n4ccc([N+](=O)[O-])n4)CC3)c12 225608241 UMXOYCAAPOSVDX-UHFFFAOYSA-N 424.461 3.635 5 50 HHBA Cc1c(OCC(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)ccc2c1oc(=O)c1ccccc12 252695012 TTXZRTYXXNRVMA-WKILWMFISA-N 423.465 3.641 5 50 HHBA biogenic CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 8816311 JKWJEJFMKXNETI-UHFFFAOYSA-N 423.391 3.975 5 50 HHBA CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 410153152 CTHKTOMDGMFMAU-AWEZNQCLSA-N 416.865 3.985 5 50 HHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cccc(Br)c1 4286195 GNASZWQGPSQJQL-CYBMUJFWSA-N 404.264 3.708 5 50 HHBA CCCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C(=O)OC)c1C 2101689 GODRPULDMWJCAH-UHFFFAOYSA-N 406.416 3.570 5 50 HHBA Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 20608064 KABRMRMZYISQAP-UHFFFAOYSA-N 420.351 3.663 5 50 HHBA Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1179674 BSEULLFKUPKDHR-XMMPIXPASA-N 416.433 3.911 5 50 HHBA O=c1[nH]c2cc3c(cc2cc1-c1c2cn[nH]c2nc2c1oc1cc(O)ccc12)OCO3 217725603 AIZYDUCVGQZSBV-UHFFFAOYSA-N 412.361 3.800 5 50 HHBA biogenic COc1ccc(NC(=O)[C@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 229532418 PUEVFUWZZZORGM-ORAYPTAESA-N 419.865 3.657 5 50 HHBA CC(C)N1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 245326894 MZVZMHPMTUOEQK-AVRDEDQJSA-N 422.441 3.642 5 50 HHBA O=C(C[C@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(F)cc1 12377264 BHCPHHOOLGXSQY-HSZRJFAPSA-N 420.396 3.741 5 50 HHBA CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1[N+](=O)[O-] 1065290 MQDGPGWXCMBTHA-UHFFFAOYSA-N 405.838 3.736 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 672152 QNKZOHTVUYJJFX-UHFFFAOYSA-N 423.450 3.599 5 50 HHBA Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1 754876 UHUATJNUORCTRS-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA CCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)c1 4688235 SIQXKMIFKGGHNE-UHFFFAOYSA-N 410.474 3.530 5 50 HHBA Cc1cc(C(F)(F)F)nn1CC(=O)Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 825510 BQOXKADXLYUJLY-UHFFFAOYSA-N 421.335 3.945 5 50 HHBA CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1OC 3401452 ACOHJDJOEDMPTI-UHFFFAOYSA-N 413.459 3.613 5 50 HHBA Cc1cc(F)cc2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 731329594 AZBFVRJQLYPHOF-AWEZNQCLSA-N 415.396 3.514 5 50 HHBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1218610 GUEXVLXKTXWQQL-KRWDZBQOSA-N 400.822 3.823 5 50 HHBA Cc1[nH]c2c(Cl)cccc2c1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3624205 GWIFYTXFVJTXGI-UHFFFAOYSA-N 402.794 3.919 5 50 HHBA biogenic,in-vitro Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)Cc1csc(NC(=O)c2ccco2)n1 225712704 IWSBCYHESQAGRF-UHFFFAOYSA-N 404.379 3.525 5 50 HHBA O=C(Nc1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1 2052728 CHDMXHTXDKNRIV-UHFFFAOYSA-N 407.338 3.975 5 50 HHBA O=C1OCC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429739 RDOJXINXNHTMPN-HNNXBMFYSA-N 418.327 3.945 5 50 HHBA CCOC(=O)COc1ccc(Br)cc1/C=C/c1onc(C)c1[N+](=O)[O-] 4770215 YFHOJYKFOLCZLG-GQCTYLIASA-N 411.208 3.766 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 1196492 CLTOCKBOKYYFOW-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA O=C(NCCC12CC3CC(CC(C3)C1)C2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4185035 PMZCRKCSQZWJNE-UHFFFAOYSA-N 413.518 3.768 5 50 HHBA Cc1ccnc(N2CCC[C@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)c1[N+](=O)[O-] 328605487 NZKOUISZRIBWMN-HNNXBMFYSA-N 406.446 3.751 5 50 HHBA O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1Nc1cc(C(F)(F)F)ccc1Cl 4179533 ZYBXJZGMPBMSIB-UHFFFAOYSA-N 419.659 3.693 5 50 HHBA CCN(CC)C(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4644966 SYVGUFPMISAAKO-LZGZYFLISA-N 413.518 3.778 5 50 HHBA CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 1082752 ZLEHULCBBTUBOY-KRWDZBQOSA-N 414.845 3.912 5 50 HHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 1135922 HFDCVNKAGQLSSK-UHFFFAOYSA-N 402.362 3.752 5 50 HHBA Cc1ccc(F)c2c1CCCN2C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 731583498 QMCHQDWWWSJPNR-CYBMUJFWSA-N 415.396 3.514 5 50 HHBA Cc1cc(C(=O)OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c2ccccc2n1 2746456 FJGZJRJETDKPHE-UHFFFAOYSA-N 422.422 3.857 5 50 HHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc(Br)cc1 18218092 HVBAHMYMUZIDPM-UHFFFAOYSA-N 407.249 3.964 5 50 HHBA CN(Cc1nccs1)c1ccc([N+](=O)[O-])c(N(C)Cc2nccs2)c1[N+](=O)[O-] 771145879 YERLKMRWKJEQLK-UHFFFAOYSA-N 420.476 3.689 5 50 HHBA O=c1c([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)c2ccccc2n1-c1ccccc1 4263728 IVCAQNKDMHLAQO-UHFFFAOYSA-N 418.497 3.964 5 50 HHBA C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1151288 MIPIEJOYRGIRJV-QMMMGPOBSA-N 408.197 3.525 5 50 HHBA O=C(c1cccs1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 5073439 OGPCMCDOICSQBZ-UHFFFAOYSA-N 418.494 3.748 5 50 HHBA O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1 1174351 HJALXLJNLNLPSG-UHFFFAOYSA-N 420.450 3.974 5 50 HHBA O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Cl)c(Cl)c1 850476 REALZGVUHOAMJU-UHFFFAOYSA-N 408.197 3.526 5 50 HHBA O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(c2ccnn2CCO)CC1 170609471 MZLILZRKRCJZPB-UHFFFAOYSA-N 418.803 3.840 5 50 HHBA O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 1155307 KFFXKXIUYISEFM-ZRDDSIGQSA-N 402.450 3.600 5 50 HHBA CC[C@@H](CO)N(Cc1ccccc1Br)C(=O)Cc1ccccc1[N+](=O)[O-] 1875327004 OJZFFSLRBKOEGC-INIZCTEOSA-N 421.291 3.700 5 50 HHBA O=[N+]([O-])c1ccccc1Cc1nc(-c2ccc(I)cc2)no1 4839963 VTYNZYOLDDDLOK-UHFFFAOYSA-N 407.167 3.840 5 50 HHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 170622638 KFUFKNNBHIPKBM-MRXNPFEDSA-N 414.220 3.958 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 832275 YRYGSKJRWWHSQK-UHFFFAOYSA-N 423.878 3.675 5 50 HHBA Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@H]3C)CC2)c([N+](=O)[O-])c1 1875252477 XWXWESPMFKXAQK-MRXNPFEDSA-N 415.515 3.508 5 50 HHBA CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4740904 FJOYYLOGYFRRLF-UHFFFAOYSA-N 424.501 3.920 5 50 HHBA O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cn2cc(Br)cn2)cc1 2762342 JGVGHUJLQMRQBD-UHFFFAOYSA-N 419.210 3.994 5 50 HHBA CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 6690841 DOPLQWLYDGVSPU-UHFFFAOYSA-N 417.487 3.800 5 50 HHBA Cc1cc(I)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] 1185106 KBPAJUVPKSSVHD-UHFFFAOYSA-N 412.183 3.525 5 50 HHBA O=[N+]([O-])c1ccc(Nc2cc(Nc3ccc(O)cc3)c3nonc3c2[N+](=O)[O-])c(O)c1 16513101 WKGAGYJRUMOKHC-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA COc1cc([N+](=O)[O-])cc2cc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c(=O)oc12 4393779 VBVSWTNTQURHAB-UHFFFAOYSA-N 412.442 3.656 5 50 HHBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1C 4694628 QEIYDFODCBCSAI-LICLKQGHSA-N 411.439 3.887 5 50 HHBA COC(=O)c1c(NC(=O)CCCn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCC2 4717621 AGTQHECQSFONCL-UHFFFAOYSA-N 420.491 3.554 5 50 HHBA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 907738 VGUXHXLBEGGGGO-IBGZPJMESA-N 411.414 3.536 5 50 HHBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1174859 IUEBFKYYKRVJCB-UHFFFAOYSA-N 406.354 3.922 5 50 HHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 708986 FFZXDGUHEBCAQU-MRXNPFEDSA-N 402.863 3.680 5 50 HHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 845686 WUQBMXBDGUAPQJ-MRXNPFEDSA-N 402.863 3.680 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1218146 QMDSURCEVKEOBB-KRWDZBQOSA-N 400.822 3.823 5 50 HHBA COc1ccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)cc1 2239374 ATHYUXWJPHCNJA-UHFFFAOYSA-N 401.404 3.678 5 50 HHBA CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2cnc3cc(F)ccc3c12 3124324 WCLJHDQIAATYMX-UHFFFAOYSA-N 407.357 3.943 5 50 HHBA O=C(Oc1ccccc1C(=S)N1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2188409 NSKAFWQIZLASTP-UHFFFAOYSA-N 415.427 3.884 5 50 HHBA aggregator C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1C 4690829 RRJHPHLJAONTNK-CYBMUJFWSA-N 413.459 3.594 5 50 HHBA Cc1nn([C@@H](C)C(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] 2884891 YXZNKBGAHPELHV-QMMMGPOBSA-N 403.183 3.649 5 50 HHBA Cc1ccc(S(=O)(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 4575586 WHHSOOYKGTYRJA-UHFFFAOYSA-N 417.409 3.703 5 50 HHBA O=C(/C=C/c1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5093027 AVPVANVJTWNLPH-RMKNXTFCSA-N 405.376 3.976 5 50 HHBA CCN1C(=O)N[C@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCc2ccccc2)=C1C 844328 WDPKBRZXCXWHCN-HXUWFJFHSA-N 409.442 3.741 5 50 HHBA Cc1nn(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c(C)c1[N+](=O)[O-] 845133 CBSSAUXJTLMION-UHFFFAOYSA-N 420.491 3.552 5 50 HHBA C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4980324 FBKFVHLTUCCXFF-GJZGRUSLSA-N 417.487 3.799 5 50 HHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 11582353 FKTXAJQBICUBOF-QHAWAJNXSA-N 415.405 3.646 5 50 HHBA CCCCCC[N@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1772492961 DAECYOJSYCGTFP-KUBXJNQVSA-N 411.610 3.650 5 50 HHBA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]21 101319364 FTBGEBZVDYQPMO-ZNZDAUKMSA-N 406.394 3.516 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] 1135159 SRBUJRGGRVRZGS-UHFFFAOYSA-N 414.487 3.721 5 50 HHBA aggregator C[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 17987617 IFNQRPOBVCDZRH-VVFCZOMOSA-N 406.394 3.516 5 50 HHBA CC(C)N1C(=O)[C@@H]2[C@@H](ON(c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 135682429 NOMVSDQTOAIXOV-OKZBNKHCSA-N 415.833 3.503 5 50 HHBA COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1OC 1128560 VRMUSDJYNBSKBQ-UHFFFAOYSA-N 414.443 3.615 5 50 HHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1cc2nn(-c3ccccc3)nc2cc1Cl 1129343 JIIBLTZIFYOGRF-UHFFFAOYSA-N 423.816 4.000 5 50 HHBA COc1ccc(Cl)cc1C(=O)N[C@@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl 4743384 OLIBYZGANJGQFJ-AWEZNQCLSA-N 413.213 3.856 5 50 HHBA O=C1N/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 1147348 TYIMXYJOTRWKRP-XDHOZWIPSA-N 406.373 3.618 5 50 HHBA O=C(N[C@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3217853 WDEBWQVPVVEHFW-SNVBAGLBSA-N 414.723 3.857 5 50 HHBA Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4687950 SRHNLJPPBWIXCB-UHFFFAOYSA-N 408.502 3.856 5 50 HHBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C(C)=O)c1C 4749978 OIWFCEZUOQGHFH-UHFFFAOYSA-N 406.416 3.605 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1189834 IWFKGCPTAUUZGL-MRXNPFEDSA-N 402.863 3.680 5 50 HHBA CN1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC(C)(C)C)C1 1775965154 VUWNNVVYGBHJNP-UHFFFAOYSA-N 417.487 3.852 5 50 HHBA Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2Br)CC1 4703652 SOGWZBCYRVFVBF-UHFFFAOYSA-N 404.264 3.628 5 50 HHBA COc1cc(CN2CCN(Cc3ccccc3Cl)CC2)c([N+](=O)[O-])cc1OC 865219 YFHQCKBIYISACF-UHFFFAOYSA-N 405.882 3.583 5 50 HHBA CCN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1 4998638 CMKQIXCMQLXGBG-UHFFFAOYSA-N 402.882 3.951 5 50 HHBA CCn1c(COc2ccc3c(c2)OCO3)nnc1SCc1ccc([N+](=O)[O-])cc1 952742 HTYPFIRLGFGCNU-UHFFFAOYSA-N 414.443 3.806 5 50 HHBA Cc1cc(O[C@@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl 4842534 GXEFVVCRILUEIR-HNNXBMFYSA-N 403.866 3.673 5 50 HHBA O=C(COc1ccccc1[N+](=O)[O-])Nc1nnc(Cc2ccc(Cl)cc2)s1 17042543 JVUYTUBAVXOIRU-UHFFFAOYSA-N 404.835 3.708 5 50 HHBA O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 9601757 VLQPLZZTZGAEKW-UHFFFAOYSA-N 424.432 3.901 5 50 HHBA CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 13575311 GLGOQMPRORJPLA-UHFFFAOYSA-N 423.447 3.753 5 50 HHBA Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1c([N+](=O)[O-])ccc(C)c1C 225465709 WDNFPKPTRNEXSP-MJGOQNOKSA-N 415.515 3.517 5 50 HHBA O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1N1C(=O)c2ccccc2C1=O 1136707 LFDKHSIUTBYUCJ-UHFFFAOYSA-N 402.362 3.752 5 50 HHBA COc1ccc(CN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1Br 4724719 UWJZUZBPZFJWRZ-UHFFFAOYSA-N 420.307 3.684 5 50 HHBA O=[N+]([O-])c1cc(F)cc(S(=O)(=O)N[C@@H](CC(F)(F)F)c2ccc(F)cc2)c1 1875255314 BPTYPRMAIMFLAS-AWEZNQCLSA-N 410.320 3.845 5 50 HHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O 1136136 YMHFGYQUBUXBFJ-UHFFFAOYSA-N 420.352 3.892 5 50 HHBA CCCCCn1c(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c2ccccc21 100469616 VAUDCLVMJCRQQU-UHFFFAOYSA-N 411.414 3.763 5 50 HHBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 9520020 XQKDTKLTBAPOOS-UHFFFAOYSA-N 423.800 3.657 5 50 HHBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N=C3O)c2)cc1 15746227 VGHZHVJSUJMLRU-ZROIWOOFSA-N 422.465 3.692 5 50 HHBA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 100580377 MXMQSSRBPPKJAF-ZNZDAUKMSA-N 408.410 3.740 5 50 HHBA CCCCCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 252460273 DAECYOJSYCGTFP-LCONKVMRSA-N 411.610 3.650 5 50 HHBA biogenic O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(/C=C3\SC(=S)N=C3O)cc2)c1 15746257 LOLJLGYVCNXSIU-ZSOIEALJSA-N 422.465 3.692 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 1119820 WLDFSPWXYFTKTC-QHCPKHFHSA-N 402.406 3.602 5 50 HHBA COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] 1207471 ASBVWCJKXMIGDR-UHFFFAOYSA-N 407.361 3.729 5 50 HHBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 1215707 KYSMXXAUCIXJLB-UHFFFAOYSA-N 417.377 3.781 5 50 HHBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 4703596 ZHVGYEGJXOGAPV-UHFFFAOYSA-N 414.893 3.811 5 50 HHBA CC1(C)Cc2c(sc3ncn4nc(-c5cc([N+](=O)[O-])ccc5O)nc4c23)C(C)(C)N1 846175 YDQFGKBWXOUTFB-UHFFFAOYSA-N 424.486 3.779 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)n1nc(-c2cccnc2)nc1NCc1cccs1 4821241 PLOXDMDMPSWXRJ-UHFFFAOYSA-N 406.427 3.610 5 50 HHBA COc1cc(OC)cc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c1 2763283 XYNNCNXGQOGHOP-UHFFFAOYSA-N 400.309 3.805 5 50 HHBA CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 4599327 WBIJNYXNMQUBID-UHFFFAOYSA-N 403.866 3.999 5 50 HHBA CCN(CC)C[C@H](O)Cn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 4952176 CJXJWCLAAMVCPX-KRWDZBQOSA-N 416.547 3.769 5 50 HHBA COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 5073195 BYXSADRWAJZHFS-UHFFFAOYSA-N 410.257 3.873 5 50 HHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 225494046 RHJXFEDGASQVJP-LCCNJJIFSA-N 417.469 3.890 5 50 HHBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 4177676 QYFCJQGLHVNPTE-MRXNPFEDSA-N 400.818 3.869 5 50 HHBA Cn1c(-c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])c(N)c3)cc2)nc2ccccc21 252495380 OPHHZDRKPXPRFB-UHFFFAOYSA-N 401.426 3.912 5 50 HHBA O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 5126556 HHKWKSOUQOQHPO-UHFFFAOYSA-N 413.286 3.618 5 50 HHBA O=C1[C@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 4727092 RMJNJNUYUHXAPW-ZBFHGGJFSA-N 405.888 3.996 5 50 HHBA Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2C1=O 1188331 NIJRJXKYNBSHQL-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA O=C(O)c1ccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1208673 GHQRQHAJLXQLGB-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA CCN(CC)C(=O)c1sc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2c1C 2793447 ITRHIDCCFBGVFR-UHFFFAOYSA-N 410.459 3.705 5 50 HHBA Cc1sc2ncn3nc(-c4ccc(Cn5cc([N+](=O)[O-])cn5)cc4)nc3c2c1C 2808475 JBEHULSERABJND-UHFFFAOYSA-N 405.443 3.776 5 50 HHBA CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 170614919 ACRAJDKTNXFECX-GOSISDBHSA-N 405.495 3.727 5 50 HHBA Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 825803 AAPQOEXCOUBDMR-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA C[Si](C)(C)CCOCN1C(=O)[C@]2(Cc3ccc([N+](=O)[O-])cc3C2)c2cccnc21 200325239 KDGIPVFZTWMOLH-NRFANRHFSA-N 411.534 3.685 5 50 HHBA Cc1nc(-c2ccc(C)c(NC(=O)c3cc(-c4ccccc4[N+](=O)[O-])on3)c2)n[nH]1 2325739595 YXFONWWGQPACSD-UHFFFAOYSA-N 404.386 3.904 5 50 HHBA O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 9720932 HLXKNCJXYZLVSL-UHFFFAOYSA-N 424.693 3.945 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 55058877 SSLHFCOBNDBXMI-VMPITWQZSA-N 412.515 3.631 5 50 HHBA Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cn12 170623484 MZZOBBBXYYIGRH-IYBDPMFKSA-N 421.501 3.963 5 50 HHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)c1cccc(Br)c1 4286196 GNASZWQGPSQJQL-ZDUSSCGKSA-N 404.264 3.708 5 50 HHBA O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1 1434252 YSPYJKGFGGHFPD-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA Cc1nonc1O[C@H](C)CNc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1 4181177 GFGMSZZKNPUQTK-CQSZACIVSA-N 413.434 3.657 5 50 HHBA O=C(c1ccco1)N1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 4998236 SZQHIFSKWOVHPF-UHFFFAOYSA-N 416.453 3.670 5 50 HHBA COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 1185689 ZVHXJQCCWYUEKJ-UHFFFAOYSA-N 419.484 3.805 5 50 HHBA COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 1130349 SSVVSVVKQFARCB-LKBVRNOZSA-N 416.411 3.761 5 50 HHBA Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1185053 DKIXMJOHQBNQAF-UHFFFAOYSA-N 403.398 3.655 5 50 HHBA CCN(CC)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl 2982236 LBXSAFKSZBPHMC-AQTBWJFISA-N 401.850 3.888 5 50 HHBA CCc1cnc(CNc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])o1 480193340 JFSICAJINRFQOV-UHFFFAOYSA-N 402.432 3.558 5 50 HHBA O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8768989 GNAAGUIMYCTKAG-UHFFFAOYSA-N 418.862 3.947 5 50 HHBA Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@@H](O)c1ccccc1 1106043 OPIJHEVWUOHSPT-AWEZNQCLSA-N 410.377 3.975 5 50 HHBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 4602027 OYKBAAQGEPXQGS-KRWDZBQOSA-N 406.822 3.983 5 50 HHBA C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 16286116 FBKFVHLTUCCXFF-GASCZTMLSA-N 417.487 3.799 5 50 HHBA Nc1cc(O)c([N+](=O)[O-])cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 170597828 NGMQPKQAIUJIPG-UHFFFAOYSA-N 400.778 3.976 5 50 HHBA Cc1ccnc(N2CCC[C@@H](c3nn(-c4ccccc4)cc3C(=N)O)C2)c1[N+](=O)[O-] 328605488 NZKOUISZRIBWMN-OAHLLOKOSA-N 406.446 3.751 5 50 HHBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)c1 4561465 ZLIDYERQJKCCPQ-UHFFFAOYSA-N 403.460 3.909 5 50 HHBA O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809705 QHINTVLKYBQALS-UHFFFAOYSA-N 414.805 3.517 5 50 HHBA Cc1ccccc1Cn1nc(C)c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)c1C 884551 TYBGRTSTPCRKPE-UHFFFAOYSA-N 416.869 3.562 5 50 HHBA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 4492053 AJFAFMACKFUGBN-UHFFFAOYSA-N 411.867 3.531 5 50 HHBA COc1ccc(/C=C/c2c(N(C)C(C)=O)cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC 4687010 ZBXHBWDNZVFRRK-FNORWQNLSA-N 401.375 3.673 5 50 HHBA O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 782964 OQJSVTXOBJGEHC-UHFFFAOYSA-N 415.449 3.860 5 50 HHBA CC(C)n1ccc2cc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)ccc21 886024649 XPWXZXIGZNZCPJ-MAUKXSAKSA-N 420.469 3.552 5 50 HHBA O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O 1210352 HFYPTENHTPNXGP-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA in-vitro CCOC(=O)c1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 1771523 MFSIPHZSVUCPFC-UHFFFAOYSA-N 420.443 3.879 5 50 HHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc2ccccc2c1 4687598 DQJSCJBQOZFVMN-MRXNPFEDSA-N 411.483 3.647 5 50 HHBA COC(=O)C1=CN(C2CCCCC2)C=C(C(=O)OC)C1c1ccc(C)c([N+](=O)[O-])c1 1120430 AOLCCJAONUAQKX-UHFFFAOYSA-N 414.458 3.749 5 50 HHBA Cc1nn([C@H](C)C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 2786315 RFOOHZJRYZFJBO-SNVBAGLBSA-N 404.224 3.610 5 50 HHBA CC(C)COC(=O)N1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 170619470 OIBRSLSICZNJID-UHFFFAOYSA-N 400.273 3.662 5 50 HHBA O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 1119822 WLDFSPWXYFTKTC-HSZRJFAPSA-N 402.406 3.602 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC1CCN(Cc2ccccc2)CC1 5041942 XKXLUUAGGMPLQZ-UHFFFAOYSA-N 400.504 3.554 5 50 HHBA Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cc(Br)ccc1O 2885048 NGTIZFJHKJTDKF-UHFFFAOYSA-N 417.647 3.640 5 50 HHBA O=c1[nH]c(/C=C/c2c(OCc3ccccc3)ccc3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 13607235 WRJXZZWTIBRSQV-VAWYXSNFSA-N 415.405 3.874 5 50 HHBA COc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 1214954 PEWUVDPTGAATDM-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20100673 YNHSXVLGQBDGQZ-UHFFFAOYSA-N 424.501 3.670 5 50 HHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cnn(Cc2ccc(Cl)cc2Cl)c1 13961319 HKFJTVPHSGEQIJ-UHFFFAOYSA-N 417.208 3.947 5 50 HHBA Cc1ccc(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1[N+](=O)[O-] 16225453 IKCYWSYICROTJA-UHFFFAOYSA-N 418.899 3.907 5 50 HHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1116794 ZAOYZUCRAFMRDG-RMKNXTFCSA-N 405.376 3.976 5 50 HHBA CC(=O)c1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 12380120 YHDFOPZBGZHOOD-CPNJWEJPSA-N 419.393 3.800 5 50 HHBA NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 1156892 CDJPTINILZTWBV-SOFGYWHQSA-N 405.863 3.939 5 50 HHBA CCOC(=O)c1c(N2CCOCC2)nc2ccc([N+](=O)[O-])cc2c1-c1ccccc1 19118815 VFHVASMCQSYVHD-UHFFFAOYSA-N 407.426 3.823 5 50 HHBA O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 170614591 NICAHBUCGUENLF-RBUKOAKNSA-N 421.419 3.564 5 50 HHBA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 239310135 IFNQRPOBVCDZRH-NRXGSXMXSA-N 406.394 3.516 5 50 HHBA COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I 4616506 XZKFIKNOGVPBIP-UHFFFAOYSA-N 412.183 3.769 5 50 HHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1 2864711 DEZYPEHKTUSNJB-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 4258197 ISEAWJBYBCSFAT-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NC[C@@H]1CCCO1 4421693 ZDSPXSAWYHYABC-SFHVURJKSA-N 415.402 3.523 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] 9355147 JAPDHGLXGCMZLG-UHFFFAOYSA-N 422.466 3.716 5 50 HHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1[N+](=O)[O-] 1070936 IPVDCYDKOGLNTI-UHFFFAOYSA-N 411.439 3.782 5 50 HHBA CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 2993135 PFCZGSYRVKNVHD-SXGWCWSVSA-N 416.411 3.763 5 50 HHBA C[C@@H]1CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 239403238 RQYNFXLABWOWGX-ZNOIYHFQSA-N 408.410 3.740 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 867196 ZYUISEXGZHFDOS-KRWDZBQOSA-N 416.890 3.988 5 50 HHBA O=[N+]([O-])c1cc(I)cc(-c2nnc(-c3ccccc3O)o2)c1 1071837 MTMCXQDBTYMLQT-UHFFFAOYSA-N 409.139 3.622 5 50 HHBA COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc2c1OCO2 1145480 YWHBSLWZTJXTMG-LZYBPNLTSA-N 414.395 3.569 5 50 HHBA Cc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 2269408 AWSGTNHKAHAWME-UHFFFAOYSA-N 402.378 3.577 5 50 HHBA COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4331194 RPHGVZIIVDQKHK-UHFFFAOYSA-N 424.501 3.556 5 50 HHBA CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4749617 QUMCETXQVUVDBY-UHFFFAOYSA-N 403.866 3.754 5 50 HHBA COc1ccc(OC)c2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 4982178 QYHFBPOCEOXMPA-UHFFFAOYSA-N 408.458 3.795 5 50 HHBA COc1cc(CN2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC 5032651 WXZMFLDJLUMIIC-GCJKJVERSA-N 403.523 3.841 5 50 HHBA COC(=O)c1ccccc1NC(=O)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 8454106 SCLXYZUVIMRRON-UHFFFAOYSA-N 424.457 3.756 5 50 HHBA CC(C)(C)OC(=O)NC[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 170614918 ACRAJDKTNXFECX-SFHVURJKSA-N 405.495 3.727 5 50 HHBA O=C(NCCNc1ccccc1[N+](=O)[O-])c1nc(Br)sc1C1CC1 253425570 FGHBEYGFFWPSMR-UHFFFAOYSA-N 411.281 3.533 5 50 HHBA Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1Cc1ccc(Cl)cc1 2761863 DDAIZTFOUOSBPK-UHFFFAOYSA-N 406.851 3.602 5 50 HHBA COc1ccc(C(=O)Nc2ccc3nn(-c4cccc([N+](=O)[O-])c4)nc3c2)cc1OC 1217558 SSCXYIRDUYZBAN-UHFFFAOYSA-N 419.397 3.598 5 50 HHBA O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-] 32620549 QEWPLKIICNLJES-DTQAZKPQSA-N 410.389 3.787 5 50 HHBA CC(=O)Nc1ccc(-n2ccc3nc4ccn(CCC(C)C)c(=O)c4cc3c2=O)cc1 38829434 NCNBFYAGPJUGGJ-UHFFFAOYSA-N 416.481 3.705 5 50 HHBA biogenic CC(C)=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21 169682301 JGFKJRJPMAOZLQ-XYPYXGAPSA-N 403.232 3.615 5 50 HHBA O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 1139191 SNPVLGUNUSTUJR-UHFFFAOYSA-N 421.438 3.865 5 50 HHBA C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(-c2cccc(F)c2)n1 225401731 YQDCSENDAIHXIP-LLVKDONJSA-N 402.407 3.581 5 50 HHBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 4602022 OYKBAAQGEPXQGS-QGZVFWFLSA-N 406.822 3.983 5 50 HHBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)C[C@@H](C)N1 4455675 JPFRBOZKXOCNQU-GASCZTMLSA-N 404.898 3.926 5 50 HHBA O=C(c1cccc(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4575401 NHMJUWHQLQCLPN-UHFFFAOYSA-N 400.866 3.785 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 2952617 QRGZYVIFQNWJIZ-UHFFFAOYSA-N 412.379 3.567 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21)c1ccc(F)cc1 12377265 BHCPHHOOLGXSQY-QHCPKHFHSA-N 420.396 3.741 5 50 HHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)cc1 4687415 AVEANYYBJDJHKI-UHFFFAOYSA-N 419.485 3.668 5 50 HHBA CCc1cc(C(=O)OC)c(NC(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 13961529 YXYHOLRKLPIESB-UHFFFAOYSA-N 417.487 3.860 5 50 HHBA CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 1072687 CCRUVJWLGUSKEF-UHFFFAOYSA-N 414.443 3.854 5 50 HHBA CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 1127683 RWYSWBGRTSWNGT-UHFFFAOYSA-N 409.471 3.555 5 50 HHBA O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccco1 2991355 LJZBDNNFDWFCOJ-UHFFFAOYSA-N 410.411 3.567 5 50 HHBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 9720342 NCOGXZYPLPDRAP-UHFFFAOYSA-N 424.693 3.945 5 50 HHBA CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCn1cc([N+](=O)[O-])cn1 17088124 RYBJOUCZDRJKRI-UHFFFAOYSA-N 408.871 3.693 5 50 HHBA O=C(Nc1ccc(Cl)cc1F)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 18172582 CIHIEARCUKYCOE-ORMMXULVSA-N 419.844 3.913 5 50 HHBA Cn1c(-c2cccc(Br)c2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157535 HWGYNBDPXJELIX-UHFFFAOYSA-N 415.247 3.527 5 50 HHBA COc1cccc(NC(=O)Nc2nnc(COc3ccc([N+](=O)[O-])cc3)s2)c1 2300851 ICMDCOACUCJNGY-UHFFFAOYSA-N 401.404 3.678 5 50 HHBA Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 1196539 UXYLNJFSLIVBTJ-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA Cn1ncc2c(-c3cc4cccc5c4n(c3=O)CC5)c3oc4cc(O)cc(O)c4c3nc21 409415505 MCDAQDZUQGJRCW-UHFFFAOYSA-N 424.416 3.817 5 50 HHBA biogenic COc1ccc(C[C@H](C)COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F 2325862539 XXKYLXVWGRQWGJ-AWEZNQCLSA-N 413.405 3.964 5 50 HHBA Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 5008442 URQMDPGDDYPDED-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 1022393 ZERHPNCUKYBRGT-UHFFFAOYSA-N 413.345 3.564 5 50 HHBA O=C(N[C@@H](SC1=NCCS1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 3217854 WDEBWQVPVVEHFW-JTQLQIEISA-N 414.723 3.857 5 50 HHBA CC[C@H](OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)OC 225518255 YIJWVKUPNYTAAK-INIZCTEOSA-N 417.439 3.656 5 50 HHBA O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 2246700 PUXXSRDVAMYXPM-INIZCTEOSA-N 405.391 3.908 5 50 HHBA COc1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)c([N+](=O)[O-])c1 16671557 RGSKCXLPDHFNSP-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA COc1cc([N+](=O)[O-])cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc12 1158134 WRLLKQDRTIJOCV-UHFFFAOYSA-N 419.187 3.725 5 50 HHBA O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1 32620544 HIJKYGHQGCKLOO-QGOAFFKASA-N 410.389 3.787 5 50 HHBA COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229532320 OWCHBYNTAGFZKE-ORAYPTAESA-N 419.865 3.657 5 50 HHBA CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 1082751 ZLEHULCBBTUBOY-QGZVFWFLSA-N 414.845 3.912 5 50 HHBA O=[N+]([O-])c1ccc([C@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 33353687 RMOUWVCHCMBBMC-CYBMUJFWSA-N 416.268 3.576 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1218705 YFZLQNJPSDAPQW-QGZVFWFLSA-N 416.890 3.988 5 50 HHBA O=[N+]([O-])c1cccc(Cl)c1NCCCNS(=O)(=O)c1ccc(Cl)cc1 5101904 ULDYZBAMXOCYKW-UHFFFAOYSA-N 404.275 3.682 5 50 HHBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 853809 MNNWCTSDMAOOOM-HNNXBMFYSA-N 400.818 3.869 5 50 HHBA COC(=O)CSc1cc([N+](=O)[O-])cc(S(=O)(=O)c2ccc(Cl)cc2)c1C 1085878 OPIIMRKVXNXRSJ-UHFFFAOYSA-N 415.876 3.655 5 50 HHBA Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 2779774 JPHPEAIUYYYSDH-UHFFFAOYSA-N 419.353 3.765 5 50 HHBA CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 8816591 UGCONJXCBMDNAS-AWEZNQCLSA-N 422.821 3.601 5 50 HHBA O=C(Nc1ccc2c3c(cccc13)CC2)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4809886 ZTPVUBGGOUJVIP-UHFFFAOYSA-N 403.438 3.936 5 50 HHBA O=C(Nc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccs1 5077750 NPTZIDNKQVCGSQ-UHFFFAOYSA-N 403.441 3.709 5 50 HHBA O=C(Nc1cc([N+](=O)[O-])ccc1F)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 13882183 LJJNKGFMSLLFBY-ORMMXULVSA-N 419.844 3.913 5 50 HHBA COc1cc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc(OC)c1OC 16213202 VYBRGQCJQWWHDU-UHFFFAOYSA-N 423.853 3.506 5 50 HHBA O=[N+]([O-])c1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)OCO2 55543838 TWMIYUODTIBIKT-UHFFFAOYSA-N 409.364 3.665 5 50 HHBA CCCCCC[N@@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 1772492955 DAECYOJSYCGTFP-DMOAXGPISA-N 411.610 3.650 5 50 HHBA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1 1132388 YMSMPGJHUVNIGA-UHFFFAOYSA-N 419.503 3.966 5 50 HHBA COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 5027927 GWHUTOVJHGPQPV-UHFFFAOYSA-N 412.423 3.639 5 50 HHBA O=[N+]([O-])c1ccc(/C=C/c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1 4754910 BUGFEYNFFKGJLN-JXMROGBWSA-N 403.427 3.662 5 50 HHBA Cn1ncc(C(=O)O)c1C(=O)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 20614403 YOGQWILECMNAEW-UHFFFAOYSA-N 416.777 3.725 5 50 HHBA Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 1218725 YFCYNXMFCVINMJ-UHFFFAOYSA-N 417.425 3.963 5 50 HHBA COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)cc1 819838 DMPQATWENMVNDX-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2ccc(Cl)cc2Cl)n1C 4625024 VTDGVLHPPBBHIT-UHFFFAOYSA-N 413.290 3.876 5 50 HHBA O=C(c1cccc(Br)c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8816215 BEQJOERGUSPECL-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1cc(CN2CCN3CCC[C@@H]3[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC 239432936 WXZMFLDJLUMIIC-XMSQKQJNSA-N 403.523 3.841 5 50 HHBA O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1186389 KQWCDWMKRKARGO-UHFFFAOYSA-N 420.450 3.974 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 912861 BFXOLCSVPUZNHY-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1F 170603718 RSNMIAWZCNDAJW-UHFFFAOYSA-N 417.256 3.626 5 50 HHBA O=C(CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)cc1 4746798 NTVRXFMKEKEDFJ-UHFFFAOYSA-N 401.850 3.560 5 50 HHBA CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 14165758 TWJFSYZRKYLQGM-UHFFFAOYSA-N 424.500 3.821 5 50 HHBA Cn1c(Sc2ccc(C(=O)c3ccncc3)cc2[N+](=O)[O-])nc2ccccc2c1=O 1058671 FBRDJWVQYQBJDE-UHFFFAOYSA-N 418.434 3.619 5 50 HHBA O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OC(c1ccccc1)c1ccccc1 1136475 WKAOLMBDFCFEKQ-UHFFFAOYSA-N 416.389 3.524 5 50 HHBA CCCCC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC 2819089 QFBFVDZCWCLDJL-UHFFFAOYSA-N 401.419 3.750 5 50 HHBA O=C(OCc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 2850632 OKRLAIPTOUZCDL-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA COc1ccc(/C=C/C(=O)NC(=S)Nc2c(C)cc(C)cc2[N+](=O)[O-])cc1OC 3878135 PBUVTJMRDSTHAB-SOFGYWHQSA-N 415.471 3.755 5 50 HHBA O=C(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)c1ccc(Br)cc1 100721491 ZRXCUURJZYYTBE-UHFFFAOYSA-N 419.231 3.918 5 50 HHBA COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 1132514 WBYPQYMGJNIIJJ-UHFFFAOYSA-N 417.849 3.748 5 50 HHBA CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 1148915 SCNFYWBMGACKGJ-UHFFFAOYSA-N 406.851 3.724 5 50 HHBA O=C(O)C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCCC2)cc1 4698295 WYWNPPJDKVDBNU-FQEVSTJZSA-N 412.442 3.791 5 50 HHBA CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 253370487 RIMMFJNLNBAKMV-ZMYBRWDISA-N 418.490 3.936 5 50 HHBA Cc1ncc([N+](=O)[O-])n1Cc1nnc(SCc2c(Cl)cccc2Cl)n1C 1428999 IUYGGRSDNQEBMX-UHFFFAOYSA-N 413.290 3.876 5 50 HHBA O=C(/C=C/c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5020837 WOTMBWGCFFTAAF-XCVCLJGOSA-N 416.275 3.719 5 50 HHBA COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@](O)(c2ccccc2)CC1 225811998 IRPNBQBWSKIMTB-FQEVSTJZSA-N 404.850 3.913 5 50 HHBA Cc1ccc(O)c(NC(=O)c2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2)c1 1208498 BGMVXHRPWVIQOX-UHFFFAOYSA-N 417.377 3.662 5 50 HHBA Cc1cc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)ccc1[N+](=O)[O-] 1060293 XUCZTDFHBKBJQS-YBFXNURJSA-N 403.419 3.934 5 50 HHBA Cc1ccc(O)c(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 1210657 MGYLYZKDJMJEBK-UHFFFAOYSA-N 402.362 3.640 5 50 HHBA O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1c1nccs1 2246701 PUXXSRDVAMYXPM-MRXNPFEDSA-N 405.391 3.908 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] 2955562 OYHADOVJBOPUKE-UHFFFAOYSA-N 423.450 3.599 5 50 HHBA COc1ccccc1N1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1234968 VIJLRNWHOWVZBI-UHFFFAOYSA-N 402.362 3.635 5 50 HHBA CC(=O)c1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 6211309 BYGHNDKSVDDITB-CPNJWEJPSA-N 419.393 3.800 5 50 HHBA Nc1ncnc(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 20389331 VBKXRKTZAJYNTK-SFHVURJKSA-N 424.892 3.532 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1189421 ZZLGUAHGVQBRNE-QGZVFWFLSA-N 416.890 3.988 5 50 HHBA CN(C)c1ccc2c(SCCN3CCOCC3)c3ccc(N(C)C)cc3nc2c1 71767289 WDTAJTITCPIQRC-UHFFFAOYSA-N 410.587 3.944 5 50 HHBA O=C(c1ccccc1Br)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8816317 YSUUKAAHSFUDIO-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C 15522011 GAIPCBUELKAFDC-UHFFFAOYSA-N 418.866 3.572 5 50 HHBA CC[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 18324601 DTRAZJRUFOWLIL-OAHLLOKOSA-N 408.443 3.924 5 50 HHBA Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc([N+](=O)[O-])c1 1141320 ZTEPYMVWPYCWEL-UHFFFAOYSA-N 403.851 3.775 5 50 HHBA Cc1nn([C@H](C)C(=O)Nc2c(F)cc(F)cc2Br)c(C)c1[N+](=O)[O-] 2884892 YXZNKBGAHPELHV-MRVPVSSYSA-N 403.183 3.649 5 50 HHBA CCOC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 2899433 IWESDZOGLZUPGE-UHFFFAOYSA-N 417.761 3.637 5 50 HHBA CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4310978 QUUIZPFTYKWDAE-UHFFFAOYSA-N 424.501 3.919 5 50 HHBA CS/C=C/C(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 2325872274 PMLHCJWAUCXYNY-JTOMGZGXSA-N 417.512 3.605 5 50 HHBA O=C(OCc1cccc(F)c1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1075540 NKCIUTAMOCTKNA-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA O=C(NC(=S)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1 1131101 VCUMQBWUEULJNT-UHFFFAOYSA-N 420.450 3.974 5 50 HHBA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1144646 IMQOSURYRDIJGC-XMMPIXPASA-N 416.433 3.645 5 50 HHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCC(=O)c1ccccc1Cl 4912949 BZYJVYZLTYBWQQ-UHFFFAOYSA-N 404.806 3.701 5 50 HHBA O=c1/c(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2nc3ccccc3n12 6457539 HYESQVDBEHAVEI-WQRHYEAKSA-N 416.418 3.552 5 50 HHBA CC[C@@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8441620 VVZQLOQVPSWDPU-MRXNPFEDSA-N 422.470 3.934 5 50 HHBA CCc1cnc(CNc2ccc(S(=O)(=O)NC3CCC(C)CC3)cc2[N+](=O)[O-])o1 170598731 BIDQSMNADBLGHH-UHFFFAOYSA-N 422.507 3.614 5 50 HHBA Cc1ccc(S(=O)(=O)N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c([N+](=O)[O-])c1 1875252476 XWXWESPMFKXAQK-INIZCTEOSA-N 415.515 3.508 5 50 HHBA CCCCC(=O)N1CCN(c2cc(N3CCCC[C@@H]3C)c(F)cc2[N+](=O)[O-])CC1 4998251 RIUTWNHTYWPRHP-INIZCTEOSA-N 406.502 3.952 5 50 HHBA CC[C@H](CO)N(Cc1ccccc1Br)C(=O)Cc1ccccc1[N+](=O)[O-] 1875327006 OJZFFSLRBKOEGC-MRXNPFEDSA-N 421.291 3.700 5 50 HHBA COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 5059915 AKVVHTXQCVJFBV-NRFANRHFSA-N 412.467 3.980 5 50 HHBA Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1I 13067930 IPXIIAHJVOECRH-UHFFFAOYSA-N 417.590 3.809 5 50 HHBA Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@@H](C)C[C@H](C)C4)c([N+](=O)[O-])c3)cn12 170623485 MZZOBBBXYYIGRH-HOTGVXAUSA-N 421.501 3.963 5 50 HHBA Cc1c(I)cc([N+](=O)[O-])cc1C(=O)Nc1cc(F)ccc1O 225767593 RGONFQXPLOFSNK-UHFFFAOYSA-N 416.146 3.605 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1[N+](=O)[O-] 1173447 GUEDPYDINALLLD-UHFFFAOYSA-N 409.851 3.782 5 50 HHBA COC(=O)c1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1233025 PFRRHEGSSRMFEY-UHFFFAOYSA-N 418.361 3.974 5 50 HHBA O=C1N/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1 1137991 YJFBSIPAHAWNBR-XDHOZWIPSA-N 406.373 3.618 5 50 HHBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C 1143583 RLGHVXVGTVYKOB-UHFFFAOYSA-N 413.459 3.650 5 50 HHBA C[C@@H](c1ccco1)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 9090851 MDMDZGQSMQCCTE-INIZCTEOSA-N 422.441 3.827 5 50 HHBA CCOC(=O)c1c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)sc2c1CCCC2 13080883 XSPZUTVWNLDMFR-UHFFFAOYSA-N 421.500 3.838 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 14921424 PCEXWOSXGHWVTM-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA O=C(O)c1ccc(CN2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 1209792 JVPBKODEQYWOKA-UHFFFAOYSA-N 418.361 3.882 5 50 HHBA CCc1nnc2sc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nn12 1065311 GQHRRNYLNZDYQC-UHFFFAOYSA-N 408.443 3.884 5 50 HHBA COc1ccc(C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c2ccccc12 4846126 JLIXMFKFXLFZRQ-UHFFFAOYSA-N 405.454 3.739 5 50 HHBA O=C(O)CCCNc1c(C(=O)Nc2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 13143154 GJRPJZVQDGIPDW-UHFFFAOYSA-N 422.781 3.685 5 50 HHBA Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1196665 ZNMHVIJFFWMDRY-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA CSc1ccccc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 17136225 DSQOUHGKDHUNHE-LWYUSKRHSA-N 413.503 3.842 5 50 HHBA O=c1[nH]c(/C=C/c2cn(CCOc3ccccc3)c3ccccc23)nc(O)c1[N+](=O)[O-] 9234838 OVCMNUHOFVUXMI-ZHACJKMWSA-N 418.409 3.588 5 50 HHBA O=C1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]2CCCC[C@H]2N1 473819812 SSNKIDIVZXBZLI-RTBURBONSA-N 410.430 3.662 5 50 HHBA COc1cc(C(=O)Nc2nnc(CCc3ccccc3)s2)c([N+](=O)[O-])cc1OC 1113789 DONAJFIRILPGQJ-UHFFFAOYSA-N 414.443 3.501 5 50 HHBA COc1cc(-c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc(OC)c1OC 1144500 CGDVTYBQHWPUIL-UHFFFAOYSA-N 416.459 3.708 5 50 HHBA Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731183 UCPXSHSWAXKIGZ-ZDUSSCGKSA-N 410.463 3.549 5 50 HHBA CCN(CC)c1cc(N2CCN(C(=O)c3ccccc3F)CC2)c([N+](=O)[O-])cc1F 4701544 PESBOIWNFKLORY-UHFFFAOYSA-N 418.444 3.682 5 50 HHBA CN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)N(C)C1=S 4881530 SMBCCHHEQUXAIC-ODLFYWEKSA-N 406.467 3.627 5 50 HHBA Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 2984871 JMKGWFJNNWPBLS-UHFFFAOYSA-N 404.806 3.701 5 50 HHBA CC(C)N1C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(Cl)cc3)O[C@H]2C1=O 229968603 NOMVSDQTOAIXOV-RCCFBDPRSA-N 415.833 3.503 5 50 HHBA Cn1c(/C=C/C=C/CN2CCN(Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc21 4754950 GQYDQBSDOPYKIF-ASVGJQBISA-N 417.513 3.869 5 50 HHBA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1C[C@@H]1CCCO1 38829106 QJCXCBKVYICVDR-INIZCTEOSA-N 407.857 3.533 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 1205800 KYHUUJQMJFCMCE-UHFFFAOYSA-N 423.450 3.599 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 2979345 YNLBYABAETZEHN-UHFFFAOYSA-N 414.487 3.721 5 50 HHBA C[C@@H]1CCc2c(sc3nc4c5ccccc5c(NCCCN(C)C)nn4c(=O)c23)C1 1801814 FPPLCDJJNTVUQF-CQSZACIVSA-N 421.570 3.946 5 50 HHBA CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 1165706 ALRJALWYWJSPOQ-MDZDMXLPSA-N 412.471 3.716 5 50 HHBA Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cccc1[N+](=O)[O-] 2831876 RIQZHTOJNVJFLQ-UHFFFAOYSA-N 424.438 3.875 5 50 HHBA C[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4687577 HCYGPGVBZBCHSY-SCUMNGBJSA-N 413.518 3.766 5 50 HHBA C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]2C1 239403237 RQYNFXLABWOWGX-VMDGZTHMSA-N 408.410 3.740 5 50 HHBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2cccc(Br)c2)c1=N 334157581 OHEGGDJBHBSZOL-UHFFFAOYSA-N 415.247 3.527 5 50 HHBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1I 1185061 XOCLUNHWUFHJBH-UHFFFAOYSA-N 416.146 3.599 5 50 HHBA O=C1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]2CCCC[C@H]2N1 473819805 SSNKIDIVZXBZLI-MOPGFXCFSA-N 410.430 3.662 5 50 HHBA CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1908383 AEGMTRFJZYFDRR-SFHVURJKSA-N 415.833 3.634 5 50 HHBA biogenic,in-vitro Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 727331267 NCSOWWCIYJGXRG-OAHLLOKOSA-N 411.433 3.683 5 50 HHBA O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 17082770 FWQIUZYCELRWAH-UHFFFAOYSA-N 403.910 3.975 5 50 HHBA Cc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 4664368 HCPKOYBHVLAQOM-UHFFFAOYSA-N 400.909 3.768 5 50 HHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@@H]21 239121073 JGFKJRJPMAOZLQ-WVATUKLVSA-N 403.232 3.615 5 50 HHBA Cc1ccc(-n2c(C)nc3ccc(I)cc3c2=O)c([N+](=O)[O-])c1 2982209 QDRYTKBCAURNLO-UHFFFAOYSA-N 421.194 3.515 5 50 HHBA C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1noc(-c2cccc(F)c2)n1 225401690 YQDCSENDAIHXIP-NSHDSACASA-N 402.407 3.581 5 50 HHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)NC2CCCC2)c1 16212784 IWAKMZLYDOVMJK-UHFFFAOYSA-N 423.878 3.721 5 50 HHBA C[Si](C)(C)CCOCn1nc(I)c2ccc([N+](=O)[O-])cc21 169794281 QBMKTNPVTMKYFL-UHFFFAOYSA-N 419.295 3.861 5 50 HHBA O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])OCc1csc(-c2ncccn2)n1 1875259258 WCGIUNJRTHVULU-UHFFFAOYSA-N 422.875 3.997 5 50 HHBA CC[C@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C 2325862339 QOYIHOPLKVEDFM-DYVFJYSZSA-N 413.305 3.777 5 50 HHBA COc1ccc(C)cc1NC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 2761427 KXUPYKDFSSYMMT-UHFFFAOYSA-N 404.810 3.964 5 50 HHBA Cc1ccccc1N(C)C(=O)c1ccc([S@@](=O)c2nccs2)c([N+](=O)[O-])c1 38192558 YXHLPJQQPOMPGE-MHZLTWQESA-N 401.469 3.803 5 50 HHBA in-vitro CCc1c(C)sc2ncn3nc(-c4ccc(Cn5cc([N+](=O)[O-])cn5)o4)nc3c12 2790253 OLMGCKLCVJNMEG-UHFFFAOYSA-N 409.431 3.623 5 50 HHBA CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4602080 BDNAUONLKXSDAH-QGZVFWFLSA-N 406.822 3.983 5 50 HHBA CC(C)(NC(=O)c1ccc2ccnc(O)c2n1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] 1875351304 RFKRABMYBMYINW-UHFFFAOYSA-N 420.347 3.928 5 50 HHBA O=C(c1cccc(Br)c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8443036 OWXJXMCGAHMPKD-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 990459 BMVVNSOPQXEJLJ-UHFFFAOYSA-N 418.405 3.816 5 50 HHBA Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccccc1[N+](=O)[O-] 1185552 MPNHKPKUBCZOJE-UHFFFAOYSA-N 407.448 3.935 5 50 HHBA COc1ccccc1NC(=O)Nc1nnc(COc2ccc([N+](=O)[O-])cc2)s1 2320922 WHJAVRIXEDLLCR-UHFFFAOYSA-N 401.404 3.678 5 50 HHBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 4334119 MHWWCURBGICTDQ-UHFFFAOYSA-N 417.469 3.564 5 50 HHBA O=C(Nc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4865805 JSZGOSAPAXTSNC-UHFFFAOYSA-N 410.474 3.674 5 50 HHBA CCCN1C(=O)N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 245326369 JPDBFJJDYVWNIZ-AVRDEDQJSA-N 422.441 3.644 5 50 HHBA O=C(O)c1cc(NS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)ccc1F 328596038 OXVJEFUBCWETGC-UHFFFAOYSA-N 409.178 3.540 5 50 HHBA O=[N+]([O-])c1c(Br)cccc1S(=O)(=O)NC[C@H](F)C1CCCCC1 2325874352 JOUVVQMBWOZRAS-LBPRGKRZSA-N 409.277 3.554 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O 1063358 UVGRJWJKGJKXDO-UHFFFAOYSA-N 407.769 3.675 5 50 HHBA O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2831848 IWLWPVDATJSGOM-VOTSOKGWSA-N 400.441 3.838 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1c1ccccc1 136043111 KLSOIPVTUNNHBD-PCCBWWKXSA-N 415.405 3.646 5 50 HHBA Cc1n[nH]c(O)c1[C@H](c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1c(O)n[nH]c1C 4663853 NDEFWMXFLNODHS-UHFFFAOYSA-N 413.365 3.648 5 50 HHBA Cc1cc(=O)oc2cc(NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc12 16347303 BBLCWQSXLCRDAW-UHFFFAOYSA-N 424.482 3.529 5 50 HHBA C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)c2nonc12 20606263 VWYYUHCNZLRBHP-ZDUSSCGKSA-N 411.418 3.527 5 50 HHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 845687 WUQBMXBDGUAPQJ-INIZCTEOSA-N 402.863 3.680 5 50 HHBA CC[C@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1 18324604 DTRAZJRUFOWLIL-HNNXBMFYSA-N 408.443 3.924 5 50 HHBA Cc1c(C(=O)Nc2ccccc2)sc2ncn(Cc3ccc([N+](=O)[O-])cc3)c(=O)c12 955601 MEJFDVWAVCWVCM-UHFFFAOYSA-N 420.450 3.975 5 50 HHBA O=C(NC1CCCCC1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2767279 HSRSZNAPWVKHPU-UHFFFAOYSA-N 407.268 3.665 5 50 HHBA COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)c1nc2cc(Cl)ccc2s1 225694968 YJHZFLBXCDLBQJ-UHFFFAOYSA-N 413.864 3.692 5 50 HHBA CN1CCN(c2ccc(NC(=O)c3ccc4[nH]c5ccccc5c(=O)c4c3)cc2)CC1 780195371 AJTODJPTCPUDRC-UHFFFAOYSA-N 412.493 3.685 5 50 HHBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3ccc(Br)cc3)CC2)cc1 9601656 IXXOGLGLAVCALQ-UHFFFAOYSA-N 421.320 3.876 5 50 HHBA C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 8388728 BLEPKDJBSIIVMJ-CYBMUJFWSA-N 413.459 3.594 5 50 HHBA O=[N+]([O-])c1ccc(O)c(Nc2cc(Nc3ccc(O)cc3)c3nonc3c2[N+](=O)[O-])c1 19606432 BUSKQKWGBCESSM-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 1130040 ZCJAXMKYMUSWLT-CMDGGOBGSA-N 405.376 3.976 5 50 HHBA CN(C)c1noc([C@@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)n1 170601946 YBDUMGSHHFCHJI-QGZVFWFLSA-N 421.457 3.659 5 50 HHBA CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 170599733 RIMMFJNLNBAKMV-CCKFTAQKSA-N 418.490 3.936 5 50 HHBA O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC(=O)c2ccccc2)cc1 1165165 AGZWXWHYXIQWSN-UHFFFAOYSA-N 405.362 3.854 5 50 HHBA O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc(OC(F)F)c3)CC2)cc1 4269933 OCAGNXKOIJDMDM-UHFFFAOYSA-N 408.430 3.715 5 50 HHBA Cc1c(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cccc1[N+](=O)[O-] 2877470 AZNSDKJJFOKGQL-UHFFFAOYSA-N 417.487 3.767 5 50 HHBA CSCC[C@@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1 4591620 YZIQTWPNWQSXAU-JFUPDXTOSA-N 408.520 3.702 5 50 HHBA COCCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 2104878 PIHJIJFBPAHIOY-UHFFFAOYSA-N 404.444 3.591 5 50 HHBA COc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1 4865551 OJGVMFBATDMWQE-UHFFFAOYSA-N 406.394 3.852 5 50 HHBA O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1ccc(F)cc1 9327941 ZEDXJQCDCWLNDO-UHFFFAOYSA-N 418.384 3.750 5 50 HHBA COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC3)cc1[N+](=O)[O-] 695993 STOJFCYLOAPAMD-UHFFFAOYSA-N 404.444 3.971 5 50 HHBA COc1c(Cl)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Cl 4082440 QCWMRVQNIHUXRA-UHFFFAOYSA-N 410.257 3.873 5 50 HHBA O=C(Cn1cnc2scc(-c3cccc([N+](=O)[O-])c3)c2c1=O)Nc1ccccc1 951902 ZBVRWQKECKZNQA-UHFFFAOYSA-N 406.423 3.672 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1Cl 4687353 STECIQGCHPGUKQ-UHFFFAOYSA-N 409.851 3.782 5 50 HHBA Cc1ccc(S(=O)(=O)NCCSCc2cccc(Cl)c2)cc1[N+](=O)[O-] 4701868 VLEGFUABUNZAHZ-UHFFFAOYSA-N 400.909 3.768 5 50 HHBA CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 12412048 UGCONJXCBMDNAS-CQSZACIVSA-N 422.821 3.601 5 50 HHBA Cc1ccc(Cn2nc(C)c(NC(=O)Cn3nc([N+](=O)[O-])c(Cl)c3C)c2C)cc1 647169 MLOBYOSRKRCYOB-UHFFFAOYSA-N 416.869 3.562 5 50 HHBA O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)[n+]([O-])c1Nc1ccccc1Br 16400734 FPRKQYYNFKNXED-UHFFFAOYSA-N 410.615 3.573 5 50 HHBA C[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 4687578 HCYGPGVBZBCHSY-LRYXAPPNSA-N 413.518 3.766 5 50 HHBA Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 8818416 QVICXNWUWISXOG-UHFFFAOYSA-N 424.284 3.938 5 50 HHBA CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 5068970 YLBZGOGGPRBEQK-UHFFFAOYSA-N 406.442 3.859 5 50 HHBA COC(=O)c1cc(C)nc(NCCc2ccc(Br)s2)c1[N+](=O)[O-] 225818500 URUQQAMMKUADSV-UHFFFAOYSA-N 400.254 3.563 5 50 HHBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4144115 UBSYDXRTKMMNKY-UHFFFAOYSA-N 412.471 3.824 5 50 HHBA CN(C)c1noc([C@H]2CCCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])C2)n1 170601947 YBDUMGSHHFCHJI-KRWDZBQOSA-N 421.457 3.659 5 50 HHBA CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1131180 QDEYZNPXDDYJFN-NSHDSACASA-N 411.867 3.577 5 50 HHBA O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1 1206348 UXOGDTCLODBPDM-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA Cc1nonc1O[C@@H](C)CNc1ccc([N+](=O)[O-])c(NCCOc2ccccc2)c1 4181175 GFGMSZZKNPUQTK-AWEZNQCLSA-N 413.434 3.657 5 50 HHBA O=C(c1ccc(Br)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15821899 IGVHVKFQCKAPDU-UHFFFAOYSA-N 414.643 3.566 5 50 HHBA O=C1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@H]2CCCC[C@@H]2N1 473819808 SSNKIDIVZXBZLI-OALUTQOASA-N 410.430 3.662 5 50 HHBA O=C(Nc1ccc(F)cc1)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 1196984 XRDQKXCKODFXIC-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2[N+](=O)[O-])c1 3832690 XBAVQNDBEIRWAR-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA Cn1cnc([N+](=O)[O-])c1COC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)s1 2325740180 GNBQQESDKHEWOQ-UHFFFAOYSA-N 412.349 3.828 5 50 HHBA CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1908380 AEGMTRFJZYFDRR-GOSISDBHSA-N 415.833 3.634 5 50 HHBA biogenic,in-vitro O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccccc1[N+](=O)[O-] 8443298 HEOFRNITGUSDRQ-UHFFFAOYSA-N 413.345 3.564 5 50 HHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc(OC)c1O 263586012 OXQVKFSQUHGOGS-UHFFFAOYSA-N 407.382 3.669 5 50 HHBA biogenic Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4614221 DRQJVVICKROGQM-OAHLLOKOSA-N 403.866 3.673 5 50 HHBA CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(N2CCNC2=O)c1 410153153 CTHKTOMDGMFMAU-CQSZACIVSA-N 416.865 3.985 5 50 HHBA CCCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5125615 UFZYSPKQCLFDNH-QGOAFFKASA-N 401.850 3.935 5 50 HHBA O=C(c1c2ccccc2cc2ccccc12)N1CCC[C@]12CCCN(CCO)C2=O 2356168089 OVCUFBBSUMLTQG-VWLOTQADSA-N 402.494 3.583 5 50 HHBA Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c12 6275823 IJDNWJFJFJCGMS-UHFFFAOYSA-N 406.370 3.802 5 50 HHBA COc1cc(CN2CCN3CCC[C@H]3[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC 239432935 WXZMFLDJLUMIIC-PGRDOPGGSA-N 403.523 3.841 5 50 HHBA COc1ccc(CC(=O)OC[C@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1Br 252441059 CROUFIXEGPEITQ-TVTNDZMWSA-N 411.360 3.953 5 50 HHBA biogenic COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1 1139320 LGMGOARUUJWCBK-UHFFFAOYSA-N 404.835 3.951 5 50 HHBA C[C@H](c1ccco1)N(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccn1 9090852 MDMDZGQSMQCCTE-MRXNPFEDSA-N 422.441 3.827 5 50 HHBA Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCCC4)c3nc12 100559625 PMBBLHWSKNDLKJ-UHFFFAOYSA-N 419.529 3.615 5 50 HHBA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)ccc1[N+](=O)[O-] 1116468 XRGVPNOEWHICOW-UHFFFAOYSA-N 417.487 3.576 5 50 HHBA O=[N+]([O-])c1ccc(OCn2ccc(-c3nc4c5ccccc5ncn4n3)n2)c(Cl)c1 2807957 YEKRQBUIPVLODR-UHFFFAOYSA-N 421.804 3.739 5 50 HHBA CCN1c2ccc(S(=O)(=O)C(F)(F)F)cc2N[C@@H]1c1cccc([N+](=O)[O-])c1 5568461 DLGFMNXOKOGCIK-HNNXBMFYSA-N 401.366 3.839 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 867197 ZYUISEXGZHFDOS-QGZVFWFLSA-N 416.890 3.988 5 50 HHBA O=C(N[C@H](C(=O)N1CCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4957839 RTQRKUVSGBGEMT-LZGZYFLISA-N 411.502 3.532 5 50 HHBA O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c(S(=O)(=O)N2CCCC2)c1 4498690 LCNQWEDOKSRHMX-UHFFFAOYSA-N 415.515 3.763 5 50 HHBA CC(C)Cn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 1095918 QPGILSXEKPZYHZ-UHFFFAOYSA-N 412.471 3.692 5 50 HHBA O=C(Nc1cc(Br)cnc1Cl)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 253421547 XQPPLKZKELZDJN-UHFFFAOYSA-N 422.626 3.844 5 50 HHBA COc1ccc(NC(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2ccco2)cc1 4837216 YZWFWCVTKPWILK-QGOAFFKASA-N 407.382 3.606 5 50 HHBA Cn1cc(C(=N)O)c([C@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)n1 328607909 XJCSVQQYTRUJKC-HNNXBMFYSA-N 406.446 3.658 5 50 HHBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 5050422 RLOJBUSGKVPMJG-UHFFFAOYSA-N 416.865 3.559 5 50 HHBA Cn1cc(C(=N)O)c([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)n1 328607910 XJCSVQQYTRUJKC-OAHLLOKOSA-N 406.446 3.658 5 50 HHBA CCOc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 990046 GBTBDCOKSYTUAB-UHFFFAOYSA-N 403.398 3.980 5 50 HHBA CC[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(SC)c([N+](=O)[O-])c1)C(=O)OC 225518280 YIJWVKUPNYTAAK-MRXNPFEDSA-N 417.439 3.656 5 50 HHBA Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)cc1[N+](=O)[O-] 1051272 YLYXEMZAWTXBKX-UHFFFAOYSA-N 401.423 3.569 5 50 HHBA CCc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(Br)c1 4702877 JCRPDKUWBJTFRX-UHFFFAOYSA-N 409.236 3.946 5 50 HHBA Cn1c(-c2cccc([N+](=O)[O-])c2)cn(CC(=O)c2ccc(Br)cc2)c1=N 334157556 LCSIRZQUJXNXBE-UHFFFAOYSA-N 415.247 3.527 5 50 HHBA C[C@H](Nc1nccc2ccc([N+](=O)[O-])cc12)c1cccc(S(=O)(=O)N(C)C)c1 1875323915 WKIWZFABZFDLOZ-ZDUSSCGKSA-N 400.460 3.566 5 50 HHBA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 101008563 VLYFVRCSFKTVID-QGZVFWFLSA-N 417.874 3.741 5 50 HHBA aggregator COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(Cl)cc2)C1 229532310 OWCHBYNTAGFZKE-BFUOFWGJSA-N 419.865 3.657 5 50 HHBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 669890 KBBCRRQUQOZPLF-UHFFFAOYSA-N 403.398 3.898 5 50 HHBA COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)N2Cc1ccccc1 19931832 UWYNVTPPBIKMBJ-NRFANRHFSA-N 418.453 3.893 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 1151732 GCRWRHBQPJWKRA-MRXNPFEDSA-N 413.739 3.749 5 50 HHBA Cc1cc(C)c2c(c1)N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 727331266 NCSOWWCIYJGXRG-HNNXBMFYSA-N 411.433 3.683 5 50 HHBA COc1ccc(-c2[nH]nc(P(=O)(OC)OC)c2-c2ccc([N+](=O)[O-])cc2)cc1 1848444150 QVFXOIOLGMELMK-UHFFFAOYSA-N 403.331 3.772 5 50 HHBA CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1114009 BSAYUQVFGNKOIT-UHFFFAOYSA-N 405.476 3.658 5 50 HHBA Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(C)c1 5103079 JPFDCOVFEOESJL-UHFFFAOYSA-N 403.866 3.593 5 50 HHBA O=C(C[C@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1cccc([N+](=O)[O-])c1 16381818 MBKMCFVXELPSJM-HSZRJFAPSA-N 420.396 3.741 5 50 HHBA O=C(c1cncc([N+](=O)[O-])c1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 1875389698 YTCFUSGDCFXJPE-HNNXBMFYSA-N 400.193 3.649 5 50 HHBA Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 1120999 ORFIAODUXZZEPW-UHFFFAOYSA-N 400.460 3.625 5 50 HHBA O=[N+]([O-])c1ccc(O)c(Nc2cc(Nc3cccc(O)c3)c3nonc3c2[N+](=O)[O-])c1 19606431 FLVYHTYNTOZZQY-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA Cc1cc(=O)oc2cc(NC(=O)c3ccccc3Cn3nc([N+](=O)[O-])cc3C)ccc12 2794352 VMIBQIPYSBUNNV-UHFFFAOYSA-N 418.409 3.815 5 50 HHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc2ccccc2nc1Br 240934429 JCABJFRLAOZYGU-UHFFFAOYSA-N 402.204 3.923 5 50 HHBA CS(=O)(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2c1 2475297 QCEKYCZBEODSMN-UHFFFAOYSA-N 411.848 3.514 5 50 HHBA O=C(OCc1ccccc1F)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1074386 QDKDJZINIDRKSY-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA CCc1cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cs1 17082674 ZTSRYHWDMOYINX-UHFFFAOYSA-N 403.489 3.745 5 50 HHBA CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(Br)c1 4978282 MKPZDJKKRHJRNB-UHFFFAOYSA-N 409.236 3.946 5 50 HHBA Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1 20351000 PHYZEZSWRYSPLZ-UHFFFAOYSA-N 411.303 3.832 5 50 HHBA O=[N+]([O-])c1cc(Cl)ccc1NCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 14008772 LYYUBVFHAQURGS-UHFFFAOYSA-N 424.693 3.945 5 50 HHBA CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1218611 GUEXVLXKTXWQQL-QGZVFWFLSA-N 400.822 3.823 5 50 HHBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 4593254 UYGXERJJHHXBGQ-INIZCTEOSA-N 406.822 3.983 5 50 HHBA O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 853077 NZSLVOUJUXDSLI-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA aggregator COc1ccc(Cl)cc1CN1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1 13324402 NGDCIHHDNUVWDV-UHFFFAOYSA-N 404.854 3.607 5 50 HHBA C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 13559483 KJMFOTCDISOHDX-MRXNPFEDSA-N 402.300 3.521 5 50 HHBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cc(Cl)cc(Cl)c1 1430644 MXLYELXQWYAJJE-UHFFFAOYSA-N 408.039 3.808 5 50 HHBA CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC4CC4)c3)CC2)cc1 4575566 RAJMRNSHBURIFX-UHFFFAOYSA-N 410.474 3.530 5 50 HHBA COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1 971862 LAPWELGPYFSJGN-UHFFFAOYSA-N 419.393 3.886 5 50 HHBA CCN(CC)c1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1F 4701877 HCTWHPBJMIDZEA-UHFFFAOYSA-N 418.444 3.682 5 50 HHBA COc1cc(CN2CCN3CCC[C@H]3[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC 5577880 WXZMFLDJLUMIIC-AVRDEDQJSA-N 403.523 3.841 5 50 HHBA Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 4687943 LNCJGCQTTVGHJF-UHFFFAOYSA-N 408.502 3.856 5 50 HHBA Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15534254 JXSXHDADQSNEPS-UHFFFAOYSA-N 424.284 3.938 5 50 HHBA O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1cccc([N+](=O)[O-])c1 1861100 OKUSJZCENHRGFL-UHFFFAOYSA-N 406.394 3.893 5 50 HHBA CCCCC(=O)N1CCN(c2cc(N3CCCC[C@H]3C)c(F)cc2[N+](=O)[O-])CC1 4998253 RIUTWNHTYWPRHP-MRXNPFEDSA-N 406.502 3.952 5 50 HHBA CC[C@@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 2848556 PXZXVXVVRNDMOT-MRXNPFEDSA-N 412.475 3.778 5 50 HHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2cc(Br)ccc2oc1=O 1052188 FVIIMHKIXXHBEC-UHFFFAOYSA-N 419.187 3.725 5 50 HHBA Cc1cccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Br)c(C)c3)[n+]2[O-])c1 4757748 OZSJOVZVXJFESI-UHFFFAOYSA-N 404.224 3.537 5 50 HHBA Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 12446607 UHZKVRDYEXKRBS-UHFFFAOYSA-N 422.376 3.595 5 50 HHBA COc1ccc(-c2csc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 2999677 OKCZHTYFRWJEPG-UHFFFAOYSA-N 414.468 3.854 5 50 HHBA Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c2)c(C)c1 170593661 SXMTYXQCVRJDSC-LJQANCHMSA-N 421.519 3.831 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-] 881986 ZJHANEPMISVVLP-UHFFFAOYSA-N 407.451 3.982 5 50 HHBA O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccco1 4678065 HIJYSDJUICNCMM-UHFFFAOYSA-N 410.411 3.567 5 50 HHBA Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 4757052 COWQIXXWFOFXOV-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA Cc1cc(C(F)F)nc2sc(C(N)=O)c(NC(=O)c3cccc([N+](=O)[O-])c3)c12 6275824 ALMWBPZCBDLTKY-UHFFFAOYSA-N 406.370 3.802 5 50 HHBA Cc1ccccc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 710932 ZOJNEWCFSFVAPB-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA CCOc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 1142329 YYSMRDRRQPJWTA-UHFFFAOYSA-N 413.459 3.520 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 17091038 ZNSXYHNSJYECDB-KBPBESRZSA-N 417.443 3.738 5 50 HHBA CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2C1=O 4695705 QNERBQNFLYWXMX-UHFFFAOYSA-N 401.806 3.895 5 50 HHBA Cc1cc(Cl)ccc1OCC(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 9355133 WVEFLXCANXOQEL-UHFFFAOYSA-N 424.284 3.938 5 50 HHBA COc1ccc([C@@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2796489 APPFZWKHWGJRDY-CQSZACIVSA-N 408.458 3.956 5 50 HHBA COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(OC(C)=O)c(COC(C)=O)c32)cc1 2940814 LMACLBOHFAUHHQ-UHFFFAOYSA-N 412.398 3.844 5 50 HHBA COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)COc1ccc(C(C)C)c(C)c1 950468 JBUSAOPRKIATRV-UHFFFAOYSA-N 417.487 3.927 5 50 HHBA CCOc1ccc([N+](=O)[O-])cc1[C@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C 4821005 PRXBLEMFMAZCQX-LJQANCHMSA-N 410.430 3.569 5 50 HHBA CCN(CC)S(=O)(=O)c1cc2cccc3c(=O)n4c5ccccc5nc4c(c1)c23 1230846 OKIQARUFFUZNTD-UHFFFAOYSA-N 405.479 3.622 5 50 HHBA COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)N2Cc1ccccc1 19931835 UWYNVTPPBIKMBJ-OAQYLSRUSA-N 418.453 3.893 5 50 HHBA CCN1c2ccc(S(=O)(=O)C(F)(F)F)cc2N[C@H]1c1cccc([N+](=O)[O-])c1 5568468 DLGFMNXOKOGCIK-OAHLLOKOSA-N 401.366 3.839 5 50 HHBA CC[N+]1(C)CCC(OC(=O)[C@H](c2noc3ccccc23)N2CCCCCC2)CC1 5688398 CNTJFDRCJSXDAU-ZRTADFRUSA-N 400.543 3.917 5 50 HHBA in-man O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 170614592 NICAHBUCGUENLF-RTBURBONSA-N 421.419 3.564 5 50 HHBA Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 4757085 FTADBTFDUJDCAC-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H]1Cc1ccccc1 2325828051 XNBUVZHTPNYZNP-VNTMZGSJSA-N 421.497 3.549 5 50 HHBA O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CN2CCOCC2)cc1 20363908 XCXKSUYHVOJHPT-UHFFFAOYSA-N 407.264 3.769 5 50 HHBA Cc1cc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)cc1[N+](=O)[O-] 8855113 YNUCCCLKOPOVJI-UHFFFAOYSA-N 422.254 3.767 5 50 HHBA COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 8871957 ZDYISSLRXMOPQF-UHFFFAOYSA-N 424.818 3.890 5 50 HHBA CSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 1168947 OEPQNMNHXDFSCK-GOSISDBHSA-N 409.427 3.613 5 50 HHBA COc1ccc(NC(=O)CSc2nccc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 6642278 UKPFIVLIPQJSJG-UHFFFAOYSA-N 414.418 3.930 5 50 HHBA COc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 1130804 HHTZZLOSHSTKLX-UHFFFAOYSA-N 420.834 3.940 5 50 HHBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1 2318393 NUOJETVSCSIFPX-UHFFFAOYSA-N 407.407 3.973 5 50 HHBA CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 2856422 JPPDXYCREIELMV-UHFFFAOYSA-N 415.471 3.987 5 50 HHBA O=C(Oc1ccccc1OC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3123148 WDMQJHNVVMTJLB-UHFFFAOYSA-N 408.322 3.941 5 50 HHBA CSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 2603010 QXXMPSKMQBYYTL-GOSISDBHSA-N 409.427 3.613 5 50 HHBA CC[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@H](O)Cn1c([N+](=O)[O-])cnc1C 2325862341 QOYIHOPLKVEDFM-SUMWQHHRSA-N 413.305 3.777 5 50 HHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 4043758 UEVPSEKVGOVQSS-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(OC)cc2[N+](=O)[O-])c1 4746946 ZJMDHGNEEYLSFC-UHFFFAOYSA-N 403.460 3.909 5 50 HHBA O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 16384502 AFOKREIUUQFDNW-UHFFFAOYSA-N 419.894 3.760 5 50 HHBA Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 2797439 WYGATYDZORZIHK-UHFFFAOYSA-N 419.850 3.521 5 50 HHBA CCCCc1cc2c(O)cc(C(=O)OCC)nc2c2c(O)cc(C(=O)OCC)nc12 71769154 ABZJUJKOPZWQPB-UHFFFAOYSA-N 412.442 3.890 5 50 HHBA Cc1cc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)cc1[N+](=O)[O-] 8855083 NNVRYQDMWNEACV-UHFFFAOYSA-N 422.254 3.767 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1Br 9635875 FVAPYIGTZQYPBP-UHFFFAOYSA-N 424.276 3.883 5 50 HHBA COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 857424 ZEXPCKLSSJCOFN-UHFFFAOYSA-N 400.416 3.693 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 2880968 HCZZWVMQPZFMRX-UHFFFAOYSA-N 419.368 3.588 5 50 HHBA O=C(OCc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1116079 FCILIHNZVONXJE-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 1165693 LYNWMKKYVHGYTF-DEOSSOPVSA-N 416.433 3.645 5 50 HHBA CCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 3966770 WNIPBGJWMANRGA-UHFFFAOYSA-N 412.512 3.518 5 50 HHBA in-vitro Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1[N+](=O)[O-] 4872667 JMNNQKFAGJLTBK-UHFFFAOYSA-N 417.487 3.767 5 50 HHBA CN(C)C(=O)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 5005409 IAAXQQJYRUAEKY-XMHGGMMESA-N 405.410 3.714 5 50 HHBA C[Si](C)(C)/C=C(\Br)COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 169833741 ZUKRUYLDSZRBJN-NTMALXAHSA-N 403.261 3.816 5 50 HHBA O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1C(=O)O 1187319 BRYFPKDHQIOYQZ-UHFFFAOYSA-N 402.366 3.860 5 50 HHBA CCN(CC)C[C@@H](O)Cn1c(-c2cccc([N+](=O)[O-])c2)nc(=S)c2c1CCCC2 4952180 CJXJWCLAAMVCPX-QGZVFWFLSA-N 416.547 3.769 5 50 HHBA O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 71769260 SFMGOVOOHVVYAQ-UHFFFAOYSA-N 413.729 3.900 5 50 HHBA C[Si](C)(C)CCOCN1C(=O)[C@@]2(Cc3ccc([N+](=O)[O-])cc3C2)c2cccnc21 200325206 KDGIPVFZTWMOLH-OAQYLSRUSA-N 411.534 3.685 5 50 HHBA O=C(CSCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(Cl)c2)CC1 1119287 YFVQAMPXHKWQPV-UHFFFAOYSA-N 405.907 3.830 5 50 HHBA CCN(CC)c1cc(N2CCN(C(=O)c3ccccc3)CC2)c([N+](=O)[O-])cc1F 4702001 RZUFPVDSTPPBIL-UHFFFAOYSA-N 400.454 3.543 5 50 HHBA CCCOc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 5103026 DHPPWFCSPBCQJJ-UHFFFAOYSA-N 403.866 3.999 5 50 HHBA COc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[N+](=O)[O-])cc3C2=O)cc1 16663350 FRYUTZBPJPZRFK-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)c1 17087896 SUHPBLYYVPFGMX-UHFFFAOYSA-N 408.439 3.794 5 50 HHBA Cc1cc(NS(=O)(=O)c2cc(C)c(F)c(C)c2)n(-c2ccc([N+](=O)[O-])cc2)n1 437402931 DXYZQPFEVYKJRQ-UHFFFAOYSA-N 404.423 3.646 5 50 HHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 1149432 MQZJZZGCSXRWOV-BQYQJAHWSA-N 405.376 3.976 5 50 HHBA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]12 17987611 FTBGEBZVDYQPMO-UPRAQXHNSA-N 406.394 3.516 5 50 HHBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1 2325828050 XNBUVZHTPNYZNP-UAFMIMERSA-N 421.497 3.549 5 50 HHBA COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])s2)cc1 2818355 IZJKMXVHYBXAQZ-UHFFFAOYSA-N 404.835 3.951 5 50 HHBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(Cl)c1Cl 1430643 MZOKHJVWAHYYRC-UHFFFAOYSA-N 408.039 3.808 5 50 HHBA Nc1ccc(-c2nc3ccccc3nc2-c2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 4531766 GDENZHRSNFSAMZ-UHFFFAOYSA-N 402.370 3.945 5 50 HHBA Cc1cc2nc3s/c(=C\c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n3c2cc1C 832924 BZPIZCZZTXEPGD-NDENLUEZSA-N 416.462 3.773 5 50 HHBA Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1CN1C(=O)c2ccccc2C1=O 1132623 RJQVWLMTOKYGJD-UHFFFAOYSA-N 415.405 3.952 5 50 HHBA CN(C)C(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)c1ccccc1 19798913 SGOSWKHGNGVAIQ-XMHGGMMESA-N 405.410 3.714 5 50 HHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNS(=O)(=O)c1ccc(Cl)cc1 9554194 IKTAOOQPXWPEKL-UHFFFAOYSA-N 423.800 3.657 5 50 HHBA O=C(Nc1ncc(Br)cc1Br)c1cccc([N+](=O)[O-])c1 823261 PACPMQQHWWIZLU-UHFFFAOYSA-N 401.014 3.767 5 50 HHBA Cn1c(-c2ccc(Br)cc2)cn(CC(=O)c2cccc([N+](=O)[O-])c2)c1=N 334157637 WXPYFUXNOGGFRF-UHFFFAOYSA-N 415.247 3.527 5 50 HHBA Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 170622637 KFUFKNNBHIPKBM-INIZCTEOSA-N 414.220 3.958 5 50 HHBA O=C(c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@]1(O)C(F)(F)F 724138 IWEOJDZREPNXFJ-INIZCTEOSA-N 413.739 3.749 5 50 HHBA O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136791 AZTWWKXBXWDVRB-UHFFFAOYSA-N 400.387 3.819 5 50 HHBA CCc1cccc2c1N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 733869039 MAJGHYZGAUUYFZ-INIZCTEOSA-N 411.433 3.629 5 50 HHBA COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c([N+](=O)[O-])c1 14137178 DFDLHEIQRAQNOA-UHFFFAOYSA-N 419.850 3.773 5 50 HHBA O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N(c1ccccn1)C1CCCCC1 4192452 LHLBBAHGENSETG-UHFFFAOYSA-N 410.474 3.806 5 50 HHBA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19333787 DBFSSIRJZFKEPO-HNNXBMFYSA-N 402.665 3.811 5 50 HHBA Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 4553111 PXOGFGHVOITCSX-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1ccccc1[N+](=O)[O-] 17093464 OGEGEERGKOBOFJ-UHFFFAOYSA-N 423.300 3.658 5 50 HHBA COc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] 870321 XSJZUWUKACTUOM-UHFFFAOYSA-N 412.183 3.769 5 50 HHBA CC(C)CNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 4740913 LOAPAMOOLTXIPA-UHFFFAOYSA-N 400.454 3.764 5 50 HHBA O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c1 4158471 JICDZAAVBRZTCD-UHFFFAOYSA-N 413.411 3.948 5 50 HHBA Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(C)c1Cl 5090800 UWQSGVHTXPUYRW-UHFFFAOYSA-N 403.866 3.593 5 50 HHBA Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1[N+](=O)[O-] 2796401 IXQSBAOLJFHJIO-UHFFFAOYSA-N 413.365 3.756 5 50 HHBA CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1 4759718 VZXNFDUOWBIZQF-UHFFFAOYSA-N 423.517 3.589 5 50 HHBA O=C(NC(=S)NCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1Cl 5123690 OWQSQCMHAOKBIV-UHFFFAOYSA-N 413.286 3.618 5 50 HHBA Cc1nn(CCC(=O)Nc2ccn(C34CC5CC(CC(C5)C3)C4)n2)c(C)c1[N+](=O)[O-] 6526346 DLFULPQKTLUZGB-UHFFFAOYSA-N 412.494 3.559 5 50 HHBA CC[C@H](Sc1nnc(-c2ccncc2)n1CC)C(=O)Nc1cccc([N+](=O)[O-])c1 2848555 PXZXVXVVRNDMOT-INIZCTEOSA-N 412.475 3.778 5 50 HHBA O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1[N+](=O)[O-])c1ccccc1 253496121 HKYNVJXJYRVKTL-HNENSFHCSA-N 413.861 3.945 5 50 HHBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl 1892003 IZAKADJYFWNFHM-UHFFFAOYSA-N 423.859 3.790 5 50 HHBA CN1CCN(c2ccccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 4688526 ABUFUXDAZZNBEM-UHFFFAOYSA-N 423.517 3.589 5 50 HHBA Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(=O)n(-c2ccccc2)n1C 1453685 FHPCTUGKGHPIDX-UHFFFAOYSA-N 418.409 3.905 5 50 HHBA CCOC(=O)C1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 4545809 VFSLCOSMIHMTRW-LTGZKZEYSA-N 408.454 3.937 5 50 HHBA O=C(COC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 1183921 RYUZHPKWQLHHKG-UHFFFAOYSA-N 405.362 3.854 5 50 HHBA O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1-c1ccccn1 38829454 ILRZDCYILSESTA-UHFFFAOYSA-N 400.825 3.738 5 50 HHBA O=C(Nc1nc(-c2ccccc2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4865726 SSJVBQZDJRWWNB-UHFFFAOYSA-N 410.455 3.807 5 50 HHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)c1 6373299 VDXJLVRBFXUFRB-UHFFFAOYSA-N 408.439 3.794 5 50 HHBA Cc1cc(I)cnc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 1110367 HVTQURKNQXEFOA-UHFFFAOYSA-N 417.590 3.809 5 50 HHBA O=[N+]([O-])c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 888800 PSGJRONFPBVXPC-IBGZPJMESA-N 403.438 3.975 5 50 HHBA O=[N+]([O-])c1ccc(C2=NN3C(=NC2)SN=C3c2cccc(Br)c2)cc1 4528534 QKGZYOIYCMNIQD-UHFFFAOYSA-N 416.260 3.842 5 50 HHBA O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8424917 SZCWCXRKYQDQEZ-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 16225423 NMESEOKLLVWDIZ-NVNXTCNLSA-N 419.846 3.974 5 50 HHBA O=C(Cc1ccccc1)Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1 990468 GKBATQHVWBZPRO-UHFFFAOYSA-N 418.405 3.816 5 50 HHBA O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 20081922 ZIZGHRDQVXCJKK-UHFFFAOYSA-N 407.426 3.939 5 50 HHBA CSCC[C@H](NC(=O)C1CCC(C)CC1)C(=O)OCc1ccc([N+](=O)[O-])cc1 4591618 YZIQTWPNWQSXAU-PVARCSIZSA-N 408.520 3.702 5 50 HHBA Cc1nn(Cc2ccc(C(=O)Nc3c(C(F)(F)F)n[nH]c3C)cc2)c(C)c1[N+](=O)[O-] 13960127 AKLUWFKNOUTZTN-UHFFFAOYSA-N 422.367 3.759 5 50 HHBA O=[N+]([O-])c1ccc2nc(CN3CCC(COc4ccc(Cl)nc4)CC3)[nH]c2c1 789313037 JOMBUAZORDRPDR-UHFFFAOYSA-N 401.854 3.811 5 50 HHBA O=C1c2cccc3ccc(Cl)c(c23)C(=O)N1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2898664 TUBARWSJGGPBML-UHFFFAOYSA-N 413.729 3.900 5 50 HHBA O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2ccccc2)CC1 4550399 UMAMMKQLNJCCOE-UHFFFAOYSA-N 414.512 3.645 5 50 HHBA O=C(O)c1ccc(CN2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 8915958 RZQQGZWGYIXAIN-UHFFFAOYSA-N 418.361 3.882 5 50 HHBA COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)s2)cc1 1146407 LFCOBSXYYWDBOY-UHFFFAOYSA-N 404.835 3.951 5 50 HHBA O=C(OCc1cccc(F)c1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1051527 FISGFHBRHAPVKK-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA Cc1cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1[N+](=O)[O-] 1055631 LWLXCJAKPNKHTR-UHFFFAOYSA-N 423.391 3.650 5 50 HHBA O=C(Nc1ccc(F)cc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1111857 FEEAXGKRMMWLCM-UHFFFAOYSA-N 405.341 3.787 5 50 HHBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 1137360 SNOZHTGMYJREIJ-UHFFFAOYSA-N 411.867 3.577 5 50 HHBA COC(=O)c1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(C(=O)OC)c1 2965087 NZWHUCXMRRAFLP-UHFFFAOYSA-N 424.365 3.680 5 50 HHBA COc1ccc(NC(=O)[C@@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])c1 229532405 PUEVFUWZZZORGM-BFUOFWGJSA-N 419.865 3.657 5 50 HHBA CCCCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252460276 DAECYOJSYCGTFP-UHXHLFEXSA-N 411.610 3.650 5 50 HHBA biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(I)c1 675403 KOAWGXYYHABNAE-UHFFFAOYSA-N 412.183 3.769 5 50 HHBA O=C(Nc1ccccc1C(=O)NCCOc1ccccc1)c1cccc([N+](=O)[O-])c1 2862568 FZJVIFQWPJAFJI-UHFFFAOYSA-N 405.410 3.656 5 50 HHBA O=[N+]([O-])c1ccc(NCC(O)CNc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 4679095 LJRKVUVDWQZDJB-UHFFFAOYSA-N 401.206 3.695 5 50 HHBA O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2cccnc2)nc1NCc1cccs1 4821189 IPPVHWAEXKVAGU-UHFFFAOYSA-N 406.427 3.610 5 50 HHBA O=[N+]([O-])c1ccc(Nc2cc(Nc3cccc(O)c3)c3nonc3c2[N+](=O)[O-])c(O)c1 16513097 HFBWRVRWOWDQHQ-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1135515 NWTZRMJZOWWISN-UHFFFAOYSA-N 406.851 3.724 5 50 HHBA Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2985274 VDEQCVKYHFIKDF-UHFFFAOYSA-N 404.806 3.701 5 50 HHBA CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 4759828 HGIBXWAWOHRPKB-UHFFFAOYSA-N 416.865 3.559 5 50 HHBA O=c1[nH]c(/C=C/c2cccc(OCc3c(F)cccc3Cl)c2)c([N+](=O)[O-])c(=O)[nH]1 9234630 FLNGCIDWKHKSHW-BQYQJAHWSA-N 417.780 3.513 5 50 HHBA CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 1138332 XZYCLHUSFZSWMK-UHFFFAOYSA-N 411.867 3.577 5 50 HHBA O=C(CNC(=O)c1cccs1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 1136651 RRJIDZKPUFZTIW-UHFFFAOYSA-N 412.423 3.922 5 50 HHBA O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1 4189694 RCFMDFDSUCZBRC-UHFFFAOYSA-N 418.453 3.673 5 50 HHBA O=C1[C@@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 4727087 RMJNJNUYUHXAPW-GOEBONIOSA-N 405.888 3.996 5 50 HHBA O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 13301442 RZFODZWMXIGJKS-WDECGGBJSA-N 405.454 3.934 5 50 HHBA Cc1ccc2nc(NC(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)sc2c1 2800494 VBXINEFUILBCPK-UHFFFAOYSA-N 409.427 3.998 5 50 HHBA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1Cc1ccco1 32071143 KACSNECLHJYTHH-UHFFFAOYSA-N 403.825 3.995 5 50 HHBA CCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4949414 FTEUETCYRVOLHF-UHFFFAOYSA-N 403.504 3.567 5 50 HHBA O=[N+]([O-])c1cnc2c(ccn2S(=O)(=O)c2ccc(Br)cc2)c1Cl 95642056 KGBWZJPKJXWKGA-UHFFFAOYSA-N 416.640 3.597 5 50 HHBA CCCN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 245326372 JPDBFJJDYVWNIZ-PGRDOPGGSA-N 422.441 3.644 5 50 HHBA O=C(NCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 5005988 SPHWVHLYDVBGBT-RCCKNPSSSA-N 401.422 3.682 5 50 HHBA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 2833250 BHYCGXGAIIJJPF-UHFFFAOYSA-N 411.867 3.579 5 50 HHBA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 22204081 PYXMMJJNVSDPPF-OAHLLOKOSA-N 402.665 3.811 5 50 HHBA O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 943247 GUAKDXOZCPXPSK-UHFFFAOYSA-N 413.385 3.538 5 50 HHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(-c2nc3ccccc3c(=O)o2)cc1 1210952 UIJDYJVBRWCQOW-UHFFFAOYSA-N 413.345 3.564 5 50 HHBA CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 758114 JSJVXQYMAHWAPS-UHFFFAOYSA-N 408.197 3.777 5 50 HHBA CCN1C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCc2ccccc2)=C1C 844376 UVZRXCFIJZQORU-HXUWFJFHSA-N 409.442 3.741 5 50 HHBA COc1ccc(C2(CNC[C@@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC 819920 YSFSWUMHZARBOM-LJQANCHMSA-N 400.475 3.747 5 50 HHBA O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225407185 NICAHBUCGUENLF-MOPGFXCFSA-N 421.419 3.564 5 50 HHBA O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 991312 PHOOEKXQGTXCKZ-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1Br 16311829 XAGHDXHPDNSXER-UHFFFAOYSA-N 424.642 3.882 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)cs2)cc1[N+](=O)[O-] 2064381 AYTNDCKLLCUTFC-UHFFFAOYSA-N 414.468 3.854 5 50 HHBA Cc1cc(C)c2nc3s/c(=C/c4cccn4-c4ccc([N+](=O)[O-])cc4)c(=O)n3c2c1 6183452 KGCWOQUUWJHVST-XDHOZWIPSA-N 416.462 3.773 5 50 HHBA CCOc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)c(OC)c2)cc1[N+](=O)[O-] 1120759 MYMLRQVDNIQMPS-UHFFFAOYSA-N 401.419 3.849 5 50 HHBA COc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136289 XGYUNGSPWLTXHR-UHFFFAOYSA-N 412.423 3.689 5 50 HHBA O=[N+]([O-])c1cc(F)cc(S(=O)(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)c1 1875255315 BPTYPRMAIMFLAS-CQSZACIVSA-N 410.320 3.845 5 50 HHBA Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731184 UCPXSHSWAXKIGZ-CYBMUJFWSA-N 410.463 3.549 5 50 HHBA CCOc1ccc(C(=O)Nc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1[N+](=O)[O-] 2850392 UFXJQHLPFFLVAC-UHFFFAOYSA-N 424.442 3.720 5 50 HHBA CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)CNS(=O)(=O)c1ccc(F)cc1 4740948 BAIAJUIHHZKYOQ-UHFFFAOYSA-N 415.874 3.804 5 50 HHBA Cc1onc(C(=O)Nc2nccc(-c3ccco3)n2)c1COc1ccc([N+](=O)[O-])cc1 13641710 KRJAGBKWLJGFOA-UHFFFAOYSA-N 421.369 3.773 5 50 HHBA CCOc1ccc([N+](=O)[O-])cc1[C@@H]1NC(=O)NC(C)=C1C(=O)Nc1ccccc1C 4821006 PRXBLEMFMAZCQX-IBGZPJMESA-N 410.430 3.569 5 50 HHBA Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 4973911 CSEZRCITMPGSFX-UHFFFAOYSA-N 412.423 3.923 5 50 HHBA Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 229799301 KQAUNYYCEYORCU-CVEARBPZSA-N 413.522 3.711 5 50 HHBA O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(S(=O)(=O)c2ccccc2)cc1 5013287 XZJFBYLLVPJHRU-UHFFFAOYSA-N 411.435 3.714 5 50 HHBA COc1cc(C=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1206521 TYGQFUJYVZCZJW-UHFFFAOYSA-N 413.167 3.600 5 50 HHBA COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1 12843072 RDBPBGZUPWSTMM-UHFFFAOYSA-N 424.276 3.801 5 50 HHBA C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 4810365 HSYDLNZSXVGHRJ-LRYXAPPNSA-N 413.518 3.766 5 50 HHBA O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(-c2nc(-c3ccncc3)no2)c1 170610175 FLXJGTIIAIITNQ-UHFFFAOYSA-N 415.409 3.566 5 50 HHBA Cc1cc(O[C@H](C)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl 4842535 GXEFVVCRILUEIR-OAHLLOKOSA-N 403.866 3.673 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 1151731 GCRWRHBQPJWKRA-INIZCTEOSA-N 413.739 3.749 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1234540 MKIAXSPJADUMFM-UHFFFAOYSA-N 423.878 3.675 5 50 HHBA CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36008816 PVZJCGCSLJJQKT-SFHVURJKSA-N 403.435 3.584 5 50 HHBA Cc1ccc([N+](=O)[O-])c(N2CCN(CCNC(=O)Nc3ccc(Cl)cc3)CC2)c1 55549717 SJCBGVAJUMPFCY-UHFFFAOYSA-N 417.897 3.500 5 50 HHBA O=C(c1ccc(Cl)nc1OC1CCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 170595626 SGVUBVIZYSOMKH-UHFFFAOYSA-N 416.865 3.537 5 50 HHBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 4406378 JZBLLLNZQXVHFL-UHFFFAOYSA-N 424.501 3.556 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1Br 9635909 DPJBNAOWLFJMSJ-UHFFFAOYSA-N 424.276 3.801 5 50 HHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc2c1OCO2 409415565 PSCKBAZTSWNZPW-UHFFFAOYSA-N 405.366 3.683 5 50 HHBA biogenic Cc1cccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)c1 12462797 FZYFPCRJYHKACL-GFCCVEGCSA-N 418.247 3.657 5 50 HHBA O=C(O)c1cccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 754580 PUKGFBDFKILDJD-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA Cc1ccc(Cl)c(NC(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 55545162 NHKUEFLDPVLXEX-UHFFFAOYSA-N 417.897 3.500 5 50 HHBA CCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)OCC)c1C 2101422 MYSUBNKTJQECGE-UHFFFAOYSA-N 420.443 3.961 5 50 HHBA O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1136252 MFSJKDWDIJEOIX-UHFFFAOYSA-N 400.387 3.819 5 50 HHBA O=[N+]([O-])c1ccccc1S(=O)(=O)NCCSCc1c(F)cccc1Cl 2813505 KWXFWFOLSVQADA-UHFFFAOYSA-N 404.872 3.599 5 50 HHBA Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1[N+](=O)[O-] 1130192 RTBJJYGSGJDGFF-UHFFFAOYSA-N 417.487 3.576 5 50 HHBA COc1ccc(-c2noc(CCCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1OC 4810573 TZWPLIYCPUYBPQ-UHFFFAOYSA-N 412.402 3.623 5 50 HHBA Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)CCn1nc([N+](=O)[O-])cc1C 653394 SJPYFSNNVBKPGH-UHFFFAOYSA-N 416.869 3.644 5 50 HHBA CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)n1 1881383 YGDBJCPOFXUIJV-UHFFFAOYSA-N 406.807 3.744 5 50 HHBA CSc1ccc(C(=O)c2ccccc2C(=O)NCCn2cccc2)cc1[N+](=O)[O-] 479915496 QATKRQLOUWTCOG-UHFFFAOYSA-N 409.467 3.779 5 50 HHBA COc1ccccc1NC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] 1136009 NPPOLEHTBKGUGO-UHFFFAOYSA-N 412.423 3.689 5 50 HHBA COc1ccc(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c([N+](=O)[O-])c1 6184320 BLCBOQLHSIOLAD-UHFFFAOYSA-N 404.810 3.964 5 50 HHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1ccc(OCc2ccccc2)cc1 1233028 FPPROLFQDMMRSF-UHFFFAOYSA-N 403.394 3.839 5 50 HHBA O=C(CNC(=O)c1ccco1)OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 2868455 RMAUDOCCSSANEQ-UHFFFAOYSA-N 412.423 3.812 5 50 HHBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1156887 XEFDPJFZWHQWKC-MRXNPFEDSA-N 422.775 3.793 5 50 HHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 1206595 NDEQEEXCHOGSBU-UHFFFAOYSA-N 423.816 4.000 5 50 HHBA CCOC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1C 2920388 XRJTVUFCLMSKGX-UHFFFAOYSA-N 407.473 3.577 5 50 HHBA COc1cccc([C@@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796480 ZLINWRQYGJUOBK-CQSZACIVSA-N 408.458 3.956 5 50 HHBA O=[N+]([O-])c1c(NCc2noc(-c3cccc(Br)c3)n2)nc2sccn12 225725877 YFYQQWPEBARZPN-UHFFFAOYSA-N 421.236 3.729 5 50 HHBA CCN(CC)C(=O)c1sc2ncn3nc(-c4ccccc4[N+](=O)[O-])nc3c2c1C 2793620 BXIVBTSGNNEIOD-UHFFFAOYSA-N 410.459 3.705 5 50 HHBA CC(C)(C)NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 5284025 ZQTRQMHIBDOXSO-SFQUDFHCSA-N 401.850 3.934 5 50 HHBA CCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 4457188 KHKHYPSATLEMPE-OQLLNIDSSA-N 401.400 3.847 5 50 HHBA O=C(O)c1cc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)ccc1O 12374663 CRXPBPUVHXYCBI-UHFFFAOYSA-N 420.333 3.592 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1158013 QNOGYNUQPXHPIG-KRWDZBQOSA-N 400.822 3.823 5 50 HHBA O=C1OC(c2ccccc2I)=N/C1=C\c1cccc([N+](=O)[O-])c1 9272635 MJMYSZATJSUNEV-ZROIWOOFSA-N 420.162 3.544 5 50 HHBA CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 253370486 RIMMFJNLNBAKMV-KYNGSXCRSA-N 418.490 3.936 5 50 HHBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 1185499 AWMLFTWEBOTDID-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 16115465 FMWWNJRTAJZRKC-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O 9312393 DZHRKLNYZCXULG-UHFFFAOYSA-N 417.801 3.958 5 50 HHBA O=C(CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccccc1-c1ccccc1 1162586 GGDWRYYXFDVSAO-UHFFFAOYSA-N 415.405 3.887 5 50 HHBA O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NC[C@H]1CCCO1 4421696 ZDSPXSAWYHYABC-GOSISDBHSA-N 415.402 3.523 5 50 HHBA Cc1cc(N2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)c(F)cc1[N+](=O)[O-] 5034525 SJUIAPAEMIKZGR-UHFFFAOYSA-N 413.783 3.936 5 50 HHBA O=c1c2c3c(sc2nc2c4ccccc4c(NC[C@H]4CCCO4)nn12)CCCC3 632182 JHGQHHYGOFKDPG-CYBMUJFWSA-N 406.511 3.927 5 50 HHBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1 838973 ZMBTYMCCUGUWTK-DEDYPNTBSA-N 405.410 3.584 5 50 HHBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)CCC2 252441143 IDLJIYQNWQWRCQ-ZUVQJFRASA-N 415.554 3.740 5 50 HHBA biogenic O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)N1CCCC1 2836830 XCNJDCFEBVYGAG-UHFFFAOYSA-N 409.471 3.557 5 50 HHBA O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccc([N+](=O)[O-])o1 57287620 RLRNEVMQEBHGGA-UHFFFAOYSA-N 424.432 3.901 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1Br 1174516 DPRCCPOVEGAITI-UHFFFAOYSA-N 424.276 3.883 5 50 HHBA COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 989990 KKHDKDURZXEEJA-UHFFFAOYSA-N 419.397 3.598 5 50 HHBA COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 55543112 DUEWNYSRIQRFTO-UHFFFAOYSA-N 406.280 3.688 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 170596308 VLILMZOPXHBEPZ-HNNXBMFYSA-N 422.416 3.773 5 50 HHBA CCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)/C=C/c1ccc(OC)cc1 4873186 QVHPLKIXSHPYAH-AEWULRIBSA-N 423.469 3.690 5 50 HHBA Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2C)c1 2531726 SLZVWRAHJLVMSR-UHFFFAOYSA-N 401.423 3.569 5 50 HHBA COc1ccc(NC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccco2)cc1 4844013 QVAAWESKQJCTNA-QGOAFFKASA-N 407.382 3.606 5 50 HHBA O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4845217 OELKQQRNZIBSLA-UHFFFAOYSA-N 402.362 3.752 5 50 HHBA C/C(=C\C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)c1ccccc1 222302061 CLFUWGUSRQEKMU-JQIJEIRASA-N 405.458 3.613 5 50 HHBA CN(C)C(=O)/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)NC(=O)c1ccccc1 1190403 IAAXQQJYRUAEKY-RGEXLXHISA-N 405.410 3.714 5 50 HHBA CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 4757828 FIKYGJNOQFBGJH-UHFFFAOYSA-N 416.865 3.559 5 50 HHBA CC[C@H](Sc1nnc2c3ccccc3n(C)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8441619 VVZQLOQVPSWDPU-INIZCTEOSA-N 422.470 3.934 5 50 HHBA CSc1ncc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 4820765 BPTCAAQVULCLIV-UHFFFAOYSA-N 403.645 3.775 5 50 HHBA Cc1cccc(CNc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1[N+](=O)[O-] 1875342075 WNQAULAVXBLYJK-UHFFFAOYSA-N 409.490 3.696 5 50 HHBA O=C(OCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1csc(-c2nc[nH]n2)n1 2325736037 PONUFEABHIVFDF-UHFFFAOYSA-N 400.203 3.500 5 50 HHBA O=C(O)c1cc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)ccc1O 3146429 GXIPEEMIKFQVLE-UHFFFAOYSA-N 420.333 3.592 5 50 HHBA COc1ccc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)cc1[N+](=O)[O-] 2872775 CURSSEIAFSGSGU-UHFFFAOYSA-N 412.368 3.516 5 50 HHBA Cc1cc(OCC(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)ccc1[N+](=O)[O-] 4749481 LKPRIENWEMAHMA-UHFFFAOYSA-N 412.421 3.921 5 50 HHBA O=[N+]([O-])c1cccc(S(=O)(=O)Oc2cccc(/C=C3\SC(=S)N=C3O)c2)c1 15746265 CAHPKBHTEBUALI-ZSOIEALJSA-N 422.465 3.692 5 50 HHBA COc1ccc(CC(=O)OC[C@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1Br 252441058 CROUFIXEGPEITQ-NRJQMVOHSA-N 411.360 3.953 5 50 HHBA biogenic CCOC(=O)c1cn(-c2ccccc2[N+](=O)[O-])c2cc(Cl)c([N+](=O)[O-])cc2c1=O 2075336 HSVYELKVYTWFCT-UHFFFAOYSA-N 417.761 3.637 5 50 HHBA O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccccc1[N+](=O)[O-] 4819575 LKEZJBHFRXBCPR-UHFFFAOYSA-N 403.394 3.763 5 50 HHBA COc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)ccc1OC(F)F 2796378 VBCGESPTZIRXMJ-UHFFFAOYSA-N 418.356 3.702 5 50 HHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)ccc23)ccc1OCC(=O)O 253402950 GUPWVAHTOAFVRY-UHFFFAOYSA-N 419.393 3.712 5 50 HHBA biogenic C/C=C(\C=C\C(=O)N1C[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)[C@H](C)C1)CC 2325872511 AYIHBKAMKWQVLV-WYHWEQJISA-N 403.504 3.545 5 50 HHBA O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 1891996 VQGSZCOLJIUUMH-UHFFFAOYSA-N 423.859 3.790 5 50 HHBA O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2oc(SCc3ccccc3)nc2c1 242339078 ZESPOGZWTSQYFK-UHFFFAOYSA-N 409.427 3.864 5 50 HHBA O=c1[nH]n(-c2ncnc3sc4c(c23)CCCC4)c(=O)c2cccc3cccc1c32 3150562 PZKBVOYOLJRODD-UHFFFAOYSA-N 400.463 3.716 5 50 HHBA CN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1 1149897 CUKQWMUEVQEVHB-UHFFFAOYSA-N 411.439 3.672 5 50 HHBA O=C(NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccccc1[N+](=O)[O-] 13898685 CASUQXRRBCHONY-UHFFFAOYSA-N 419.422 3.925 5 50 HHBA CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)NC(=O)N1 36008819 PVZJCGCSLJJQKT-GOSISDBHSA-N 403.435 3.584 5 50 HHBA Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1[N+](=O)[O-] 2730107 IHPNMLXXXZHORF-CQSZACIVSA-N 424.490 3.857 5 50 HHBA CCNC(=O)/N=c1\sc([N+](=O)[O-])cn1Cc1ccc(OCc2ccccc2)cc1 71767348 AJUJRJIDVQUQLT-XDOYNYLZSA-N 412.471 3.715 5 50 HHBA CC1CCN(c2ccccc2NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)CC1 4759690 YAAFNCFLVSEXCD-UHFFFAOYSA-N 424.501 3.920 5 50 HHBA O=C(c1cc(Br)ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9120772 NMBKEHBYDRJCDZ-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1cc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc([N+](=O)[O-])c1 829536 LUELTVKDTLEDDJ-UHFFFAOYSA-N 403.398 3.874 5 50 HHBA COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 943832 WAQXGTAIAQYBKK-NSHDSACASA-N 404.444 3.585 5 50 HHBA O=C(c1ccc(Br)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 15821288 YZMBCYZYYYMDAY-UHFFFAOYSA-N 414.643 3.566 5 50 HHBA O=C(c1cncc([N+](=O)[O-])c1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 1875389699 YTCFUSGDCFXJPE-OAHLLOKOSA-N 400.193 3.649 5 50 HHBA CS(=O)(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 9089741 VDIYKMJPKBSCLJ-UHFFFAOYSA-N 411.848 3.514 5 50 HHBA C[N+](C)(C)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2567626 BBEFGWXHNDOXLR-QFIPXVFZSA-O 411.522 3.855 5 50 HHBA in-vitro CCOC(=O)c1ccc(COC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 2850537 SUXFTVGLJHTJTJ-UHFFFAOYSA-N 408.204 3.891 5 50 HHBA COc1ccc(Nc2nc(Nc3ccc4c(c3)OCCO4)nc(C)c2[N+](=O)[O-])cc1 4757814 SUKOTIIPLAFMJO-UHFFFAOYSA-N 409.402 3.960 5 50 HHBA COc1cccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 2937454 ZMKQNXVAZHDJGW-UHFFFAOYSA-N 414.468 3.854 5 50 HHBA CCOC(=O)c1c(NC(=O)COc2ccccc2[N+](=O)[O-])sc2c1CCCC2 729794 RTCDIRLLSLYDQO-UHFFFAOYSA-N 404.444 3.729 5 50 HHBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)cc1C 4543606 GVUFTAZZRYIQPS-LICLKQGHSA-N 411.439 3.887 5 50 HHBA O=[N+]([O-])c1ccccc1S(=O)(=O)N=S(=O)(c1ccccc1)c1ccccc1 4948676 DTLJLIKLWHHQIY-UHFFFAOYSA-N 402.453 3.870 5 50 HHBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 1187121 JIRKTXRPWUCSBB-UHFFFAOYSA-N 403.398 3.898 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1190845 BUZDOPPQOADKQF-QGZVFWFLSA-N 400.822 3.823 5 50 HHBA Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1C 4694632 VKBPPQAGLBZVKE-LICLKQGHSA-N 411.439 3.887 5 50 HHBA O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 4914200 LDTAQPZWJXRWEN-UHFFFAOYSA-N 406.394 3.893 5 50 HHBA COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1066911 CYYIEQNLBNLHEV-MRXNPFEDSA-N 415.793 3.562 5 50 HHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 4005941 VKXLIGGJNVDIOK-UHFFFAOYSA-N 423.878 3.675 5 50 HHBA in-vitro CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 4687315 MYTJSJGMAOMCMC-UHFFFAOYSA-N 401.444 3.597 5 50 HHBA Cc1ccc(Cn2nc([N+](=O)[O-])cc2-c2nc(-c3ccc4c(c3)OCO4)no2)cc1 6668637 YRTBKSCQHRIMJU-UHFFFAOYSA-N 405.370 3.594 5 50 HHBA CC1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 4820831 ZQYXADKUMAOKAO-UHFFFAOYSA-N 424.501 3.920 5 50 HHBA CC1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])cc2F)CC1 4998203 ZTDVCODHGPLTLY-UHFFFAOYSA-N 416.453 3.526 5 50 HHBA Cc1nn(C)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)c1[N+](=O)[O-] 6526076 ROKYWJRPDASYIU-UHFFFAOYSA-N 401.492 3.813 5 50 HHBA O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCCCC1 845310 CKRPSXRCWPBYRL-UHFFFAOYSA-N 419.363 3.949 5 50 HHBA O=c1c2cc3c(=O)n(-c4ccccc4Cl)ccc3nc2ccn1Cc1cccnc1 38829139 CFUKGRQTHUBZLD-UHFFFAOYSA-N 414.852 3.797 5 50 HHBA COc1cc(OC)c([C@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 5068555 VMPVFWVXSXMDPW-LJQANCHMSA-N 404.444 3.508 5 50 HHBA Cc1nn(Cc2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)o2)c(C)c1[N+](=O)[O-] 6526503 PLFWYABRHHGTFI-UHFFFAOYSA-N 412.490 3.996 5 50 HHBA O=C(Nn1cc([N+](=O)[O-])cn1)c1cccc(COc2ccc(Br)cc2)c1 8455242 XFINVNBTHCDDNO-UHFFFAOYSA-N 417.219 3.517 5 50 HHBA O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 1144314 UZBZQMVWKAKBOV-UHFFFAOYSA-N 404.879 3.975 5 50 HHBA Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 2984124 NMKFGUDQSDCGNN-UHFFFAOYSA-N 404.806 3.701 5 50 HHBA COc1ccc2c(NC(=O)c3cc(F)cc4c(=O)c5cc(F)ccc5[nH]c34)n[nH]c2c1 447267959 SILWPQZRBOHWEU-UHFFFAOYSA-N 420.375 4.097 5 50 HHBA O=C1CCc2cc(OC[C@H](O)CNc3ccnc4c3ccc3cccnc34)ccc2N1 2325875972 HJEJAPVNBQWBGT-QGZVFWFLSA-N 414.465 3.520 5 50 HHBA COc1ccc(Cl)cc1NC(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O 1052496 JRECJMPZCOBDMC-UHFFFAOYSA-N 404.762 3.624 5 50 HHBA COc1cc(C=O)cc(I)c1OCc1ccccc1[N+](=O)[O-] 1053167 NJCKLLDJBPSQHJ-UHFFFAOYSA-N 413.167 3.600 5 50 HHBA Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4C)CC3)ccc2[N+](=O)[O-])n1 4571227 GLOSBYOJPSLHJI-UHFFFAOYSA-N 419.485 3.668 5 50 HHBA Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2C1=O 4989643 UOMKAYGSRBFHBR-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA COc1ccc2nc(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)[nH]c2c1 10059982 QIJZSXUCHNYFRO-UHFFFAOYSA-N 415.456 3.820 5 50 HHBA O=C(c1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1 4333971 ZHKYFABMIZSJPM-UHFFFAOYSA-N 400.866 3.785 5 50 HHBA COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1O 13544852 WGRXKPVROZXNSP-NVNXTCNLSA-N 404.375 3.685 5 50 HHBA Cn1c(SCc2ccc(Br)c([N+](=O)[O-])c2)nc2ccccc2c1=O 170617568 VOCNGTUPAWNIRW-UHFFFAOYSA-N 406.261 3.897 5 50 HHBA O=[N+]([O-])c1cccc(Cl)c1NCCNS(=O)(=O)c1ccc2ccccc2c1 4619226 HCJVURXMHUPGEE-UHFFFAOYSA-N 405.863 3.792 5 50 HHBA O=C(OCc1nc2cncnc2[nH]1)c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 1875260176 PYFJJEDGZIDKPA-UHFFFAOYSA-N 421.438 3.910 5 50 HHBA O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1750471 LQUFZSDMIZVXCY-UHFFFAOYSA-N 406.306 3.982 5 50 HHBA CCOc1ccc(C(=O)Nc2ccccc2I)cc1[N+](=O)[O-] 1167646 OZZAATNXJQJIJV-UHFFFAOYSA-N 412.183 3.850 5 50 HHBA COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCCC3)cc1[N+](=O)[O-] 2872644 VMBPOKBYOMGODI-UHFFFAOYSA-N 403.460 3.675 5 50 HHBA CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 4456029 ICRBGIGXWIYWAR-UHFFFAOYSA-N 409.273 3.906 5 50 HHBA CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1sc(C(C)C)cc1C(N)=O 4750385 JGVUKBHHGXVLSI-CQSZACIVSA-N 405.476 3.983 5 50 HHBA COc1ccc(-c2nc(NCc3ccco3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 8766466 YGZRBVPXNBGSGU-UHFFFAOYSA-N 419.397 3.756 5 50 HHBA Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)o2)c(C)c1[N+](=O)[O-] 652537 YLOIJOXJIBMKOS-UHFFFAOYSA-N 420.429 3.547 5 50 HHBA COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1O 1208601 ZHQMQHWRCVOWJJ-UHFFFAOYSA-N 406.350 3.902 5 50 HHBA O=C(Nc1ccc(Cl)cc1F)c1cccc(Cn2cc([N+](=O)[O-])c([N+](=O)[O-])n2)c1 17091994 UUBJDOHBRLMUKI-UHFFFAOYSA-N 419.756 3.793 5 50 HHBA O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1cccc([N+](=O)[O-])c1 2994798 KXHRYBFFNVSSCN-UHFFFAOYSA-N 410.411 3.567 5 50 HHBA CCCc1nc2ccccc2n2c(-c3cccc(C)c3)c3c(=O)n(C)c(=O)n(C)c3c12 3644475 FUKLWOKMPGQPCO-UHFFFAOYSA-N 412.493 3.966 5 50 HHBA Cn1ncc2c(-c3cc4ccccc4n(C)c3=O)c3oc4cc(O)cc(O)c4c3nc21 409415307 AIOLVAQKOKQUFS-UHFFFAOYSA-N 412.405 3.798 5 50 HHBA biogenic CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 4593253 UYGXERJJHHXBGQ-MRXNPFEDSA-N 406.822 3.983 5 50 HHBA Cc1ccccc1N(C)C(=O)c1ccc([S@](=O)c2nccs2)c([N+](=O)[O-])c1 38192559 YXHLPJQQPOMPGE-HHHXNRCGSA-N 401.469 3.803 5 50 HHBA in-vitro O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1C[C@H]1CCCO1 38829108 QJCXCBKVYICVDR-MRXNPFEDSA-N 407.857 3.533 5 50 HHBA O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 1056291 FNVBCYUWVQUBEW-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA O=c1oc2c(cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc32)s1 4149941 OLDWTWXAOQXJAS-UHFFFAOYSA-N 402.409 3.717 5 50 HHBA CC[N+]1(C)CCC(OC(=O)[C@@H](c2noc3ccccc23)N2CCCCCC2)CC1 4212118 CNTJFDRCJSXDAU-LEVHZFOFSA-N 400.543 3.917 5 50 HHBA in-man O=C(NCCNc1ccc([N+](=O)[O-])c(NC2CC2)c1)c1ccc(Br)cc1 8385732 KRTBWGGQKIPOEH-UHFFFAOYSA-N 419.279 3.774 5 50 HHBA Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 4846080 DAWRYUAENQTLOC-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA CC1=C(C(=O)OC(C)C)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C(C)N1 1217737 WJHVMPUZJHHJJI-UHFFFAOYSA-N 402.447 3.733 5 50 HHBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(NC(=O)c2ccccc2)s1 2997643 UYWIKLIFTJXYRR-UHFFFAOYSA-N 402.457 4.000 5 50 HHBA O=C(O)[C@@H]1CC(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1 2997749 ZSUTUZVRQXDVOV-SNVBAGLBSA-N 410.304 3.843 5 50 HHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 239377543 OBTZGXKXSUAATG-QHAWAJNXSA-N 415.405 3.646 5 50 HHBA O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 991315 IJDXFVSNVIUGDK-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA COc1ccc([C@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1 2796488 APPFZWKHWGJRDY-AWEZNQCLSA-N 408.458 3.956 5 50 HHBA CO[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1 225835279 MQZPRWDQPBXLIA-ZDUSSCGKSA-N 405.259 3.568 5 50 HHBA O=C(COc1ccccc1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 2864014 MUGSHCZNLAXEPH-UHFFFAOYSA-N 414.468 3.610 5 50 HHBA O=[N+]([O-])c1cc(-c2nc(-c3ccc(OCC4CC4)nc3)no2)ccc1-n1ccnc1 761899380 MZGRBBGOGOCGKK-UHFFFAOYSA-N 404.386 3.681 5 50 HHBA COc1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1[N+](=O)[O-] 4872649 WGLRAARTTURUOV-UHFFFAOYSA-N 404.835 3.951 5 50 HHBA O=C(Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1)c1cc2ccccc2c(=O)o1 4802145 GBVJZSDDSJANJJ-UHFFFAOYSA-N 408.288 3.895 5 50 HHBA Cc1nn([C@@H](C)C(=O)Nc2ccc(Br)c3cccnc23)cc1[N+](=O)[O-] 2786314 RFOOHZJRYZFJBO-JTQLQIEISA-N 404.224 3.610 5 50 HHBA O=[N+]([O-])c1nn(Cc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1Cl 2806374 YVVIAIWIOVOPOA-UHFFFAOYSA-N 405.805 3.751 5 50 HHBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1 2826595 FVTBBNBMGXKQPK-UHFFFAOYSA-N 403.460 3.909 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 2325707470 RSETVLBVOYZLDT-UHFFFAOYSA-N 418.475 3.804 5 50 HHBA COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 943833 WAQXGTAIAQYBKK-LLVKDONJSA-N 404.444 3.585 5 50 HHBA Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1[N+](=O)[O-] 2730106 IHPNMLXXXZHORF-AWEZNQCLSA-N 424.490 3.857 5 50 HHBA COc1ccc(C(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c(SC)c1 12420074 WABUDRQBNGLDBU-HNNXBMFYSA-N 424.862 3.925 5 50 HHBA O=C(CCOc1ccc([N+](=O)[O-])cc1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 170629868 YJEQMPWYPXIAFG-UHFFFAOYSA-N 400.275 3.707 5 50 HHBA COc1cc(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc(OC)c1OC 263586233 ROVRLGVYNKPCLA-UHFFFAOYSA-N 421.409 3.972 5 50 HHBA biogenic CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 6690852 GCQGDTISQYHUJE-UHFFFAOYSA-N 417.487 3.800 5 50 HHBA CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N(C)C1=S 9296057 NDCQYXPQKTZFNJ-YBEGLDIGSA-N 417.874 3.857 5 50 HHBA Cc1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c([N+](=O)[O-])c1 13208075 WLGFIMDFPFEGIL-YBFXNURJSA-N 403.419 3.934 5 50 HHBA CCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 1143315 MIZHRMPUEXFLAH-UHFFFAOYSA-N 417.425 3.909 5 50 HHBA O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(I)cc1 942413 JVXJYLGYULZGGE-FNORWQNLSA-N 400.197 3.913 5 50 HHBA COc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)c([N+](=O)[O-])c1 8717306 KFYVMOXWALBTSC-UHFFFAOYSA-N 424.409 3.606 5 50 HHBA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1Cc1cccnc1 38829141 WYPBSFUERFXPOS-UHFFFAOYSA-N 414.852 3.797 5 50 HHBA CSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)N(C(C)=O)c1ccccc1-2 1168946 OEPQNMNHXDFSCK-SFHVURJKSA-N 409.427 3.613 5 50 HHBA CCOC(=O)C[C@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(OCC)cc1 4653386 AFRODDMXTKRMMO-KRWDZBQOSA-N 400.431 3.726 5 50 HHBA CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1[N+](=O)[O-] 2845816 WQDRDNPGRIJELP-UHFFFAOYSA-N 403.460 3.675 5 50 HHBA C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)CCC2 252441140 IDLJIYQNWQWRCQ-CQAGSAPUSA-N 415.554 3.740 5 50 HHBA biogenic COc1ccc(OC)c(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796573 PZINQSJJGRUBLR-UHFFFAOYSA-N 410.430 3.726 5 50 HHBA COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 1066913 CYYIEQNLBNLHEV-INIZCTEOSA-N 415.793 3.562 5 50 HHBA O=C(OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] 1123918 WOHZCRZOGMRFBD-UHFFFAOYSA-N 411.435 3.926 5 50 HHBA O=C(Nc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)c1cccs1 6270516 PHAFTFXGVKDSQE-UHFFFAOYSA-N 403.441 3.709 5 50 HHBA CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2s1 8997358 FYWPRXKCGUMTRT-UHFFFAOYSA-N 414.443 3.961 5 50 HHBA O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)c1ccc([N+](=O)[O-])cc1 1162952 HNQKOZXTTWQZHR-UHFFFAOYSA-N 404.378 3.849 5 50 HHBA CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2[N+](=O)[O-])sc(C(C)=O)c1C 16400242 YQSVEXQETIXBTD-UHFFFAOYSA-N 420.443 3.670 5 50 HHBA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 245239961 INEDVKVVWCQTTM-NJDAHSKKSA-N 415.405 3.646 5 50 HHBA CCCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 2856458 ZHBDNIHNLRUFGH-IZZDOVSWSA-N 413.455 3.688 5 50 HHBA O=C(NCc1ccccc1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 680002 NEFAEVIJECLMCQ-UHFFFAOYSA-N 415.247 3.532 5 50 HHBA COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1[N+](=O)[O-] 1210302 FNQNJZJMLQGASZ-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA O=C(CCCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 4702060 WENJOCVXOZCEIX-UHFFFAOYSA-N 404.806 3.783 5 50 HHBA COc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c([N+](=O)[O-])c1 4290319 CHICQEOIWNSDBF-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)COc1ccccc1C(C)C 4367651 ZKWKKUQTRNBHLN-UHFFFAOYSA-N 403.460 3.619 5 50 HHBA CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 1118391 JKTVOHNYGUTRJQ-CQSZACIVSA-N 401.488 3.995 5 50 HHBA CN1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1 4811258 RGGJOKYKEFGQMP-UHFFFAOYSA-N 409.273 3.906 5 50 HHBA O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1 16448759 KEZSVWRGNGFDSF-UHFFFAOYSA-N 418.388 3.688 5 50 HHBA CCCCCC[N@+]12[C@H]3C[C@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 1772492962 DAECYOJSYCGTFP-WEWYMXTJSA-N 411.610 3.650 5 50 HHBA Cc1nc(CN(C)c2ncnc3c2cnn3C(C)(C)C)[nH]c1-c1cccc([N+](=O)[O-])c1 2325720734 ABWSKGXETRSOPH-UHFFFAOYSA-N 420.477 3.824 5 50 HHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccccc1 6670075 JXRGARGTBKEVDN-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12 170625139 ZGLFDXLQIRWRFP-UHFFFAOYSA-N 405.332 3.727 5 50 HHBA O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 245239963 INEDVKVVWCQTTM-QHAWAJNXSA-N 415.405 3.646 5 50 HHBA COc1ccc(C[C@@H](C)COC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc1F 2325862540 XXKYLXVWGRQWGJ-CQSZACIVSA-N 413.405 3.964 5 50 HHBA COc1ccc(NC(=O)CSc2nccc(-c3cccs3)n2)c([N+](=O)[O-])c1 6490594 ZOKXCOQZLSRQAV-UHFFFAOYSA-N 402.457 3.853 5 50 HHBA CCOC(=O)c1sc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)nc1C 13961239 MIAPLRBVIVKYNE-UHFFFAOYSA-N 409.851 3.999 5 50 HHBA CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 1118393 JKTVOHNYGUTRJQ-AWEZNQCLSA-N 401.488 3.995 5 50 HHBA Cc1c([N+](=O)[O-])c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)nn1C 6526747 WABDFDNGAXFAGN-UHFFFAOYSA-N 401.492 3.813 5 50 HHBA CCOc1ccc(OCC)c(Nc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])c1 16425755 IYEQSQJWAFKZHP-UHFFFAOYSA-N 419.825 3.608 5 50 HHBA COc1cccc([C@H](C)NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796479 ZLINWRQYGJUOBK-AWEZNQCLSA-N 408.458 3.956 5 50 HHBA Cc1nc(/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)[nH]c(=O)c1CCC(=O)O 170618839 FLWATQUTRHVHBC-RMKNXTFCSA-N 411.439 3.903 5 50 HHBA O=C(c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@]1(O)C(F)(F)F 724139 IWEOJDZREPNXFJ-MRXNPFEDSA-N 413.739 3.749 5 50 HHBA O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1O)C2=O 1170439 FWJVMLVINGZCCY-UHFFFAOYSA-N 422.780 3.985 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1cc2ccccc2cc1OC 4562532 ORVIFJWFTNUDJW-UHFFFAOYSA-N 411.439 3.892 5 50 HHBA O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCC(OC2CCCC2)CC1 170624828 MAFCXQVOSDNZLX-UHFFFAOYSA-N 404.435 3.519 5 50 HHBA CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 675115 MYOXFNBEIIUULO-UHFFFAOYSA-N 411.867 3.531 5 50 HHBA O=C(CN1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 4693909 MYUKEMTXNHZXTB-UHFFFAOYSA-N 415.449 3.823 5 50 HHBA Nc1ccc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] 225769207 XORUJPBCCBKIOR-RBBKRZOGSA-N 416.481 3.575 5 50 HHBA O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 1116173 XONPJWPIQLGFEG-UHFFFAOYSA-N 406.354 3.922 5 50 HHBA CC(C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 719670 WTRDKMCKJILOMK-MRXNPFEDSA-N 401.806 3.508 5 50 HHBA Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951170 GJFCOWSVYIOAJW-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA COCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398704 XEQPLJWWEXTIFF-UHFFFAOYSA-N 416.264 3.654 5 50 HHBA COc1cc2ccc3c(CCN(C)CC(=O)O)cc(OC)c(OC)c3c2cc1OC 263584727 JZKIDWATCQQZGE-UHFFFAOYSA-N 413.470 3.586 5 50 HHBA biogenic O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 1170858 CNXPXYYJQNDCLC-UHFFFAOYSA-N 403.363 3.916 5 50 HHBA COC(=O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 655457 COFZJTVYQRZVEJ-UHFFFAOYSA-N 418.361 3.974 5 50 HHBA CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N=C1S 4754709 AJRNWSBYOCUQIC-DHDCSXOGSA-N 403.847 3.926 5 50 HHBA COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)o1 1160998 UHCKKBZHZRQNBD-SFQUDFHCSA-N 405.366 3.961 5 50 HHBA CCCC(=O)c1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)c(F)c1 5073458 ZUPSUQVTRWDDDF-UHFFFAOYSA-N 417.412 3.818 5 50 HHBA O=[N+]([O-])c1ccc(O)c(Nc2cc(Nc3ccccc3O)c3nonc3c2[N+](=O)[O-])c1 16513087 RPGZIQHXANAVDU-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA O=C(NCC(=O)N1CCCC[C@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 225602577 NXWOSZZTELITQS-INIZCTEOSA-N 401.850 3.732 5 50 HHBA O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC(=O)c2ccccc2)cc1 1165224 VZMLUVOVKWMWED-UHFFFAOYSA-N 405.362 3.854 5 50 HHBA COc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1[N+](=O)[O-] 2872789 AABHWYGZUPSSFO-UHFFFAOYSA-N 411.439 3.607 5 50 HHBA O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 22204077 PYXMMJJNVSDPPF-HNNXBMFYSA-N 402.665 3.811 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1218147 QMDSURCEVKEOBB-QGZVFWFLSA-N 400.822 3.823 5 50 HHBA COc1ccc(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1OC 4810324 CDNZUAJNRPKIGH-UHFFFAOYSA-N 415.427 3.753 5 50 HHBA O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 225494077 RHJXFEDGASQVJP-GLCJEOIMSA-N 417.469 3.890 5 50 HHBA COC(=O)c1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(=O)OC)c1 1194267 JMXGYGCXWNDWPY-UHFFFAOYSA-N 424.365 3.680 5 50 HHBA O=C(O)c1cccc(NC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)c1 4675643 OSHDMUYBVGDECG-UHFFFAOYSA-N 405.366 3.798 5 50 HHBA O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(NCCCO)nn12 1801671 OIPLDVCEHYOXPW-UHFFFAOYSA-N 402.479 3.919 5 50 HHBA C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 3991694 KJMFOTCDISOHDX-INIZCTEOSA-N 402.300 3.521 5 50 HHBA in-vivo Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1 792989 IMLVTVCJFMDHFQ-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 1130345 SSVVSVVKQFARCB-UJFYRASASA-N 416.411 3.761 5 50 HHBA Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] 1165320 FLPVNZQVSTWMSQ-UHFFFAOYSA-N 400.460 3.625 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1ccccc1[N+](=O)[O-] 137328358 INEDVKVVWCQTTM-PCCBWWKXSA-N 415.405 3.646 5 50 HHBA CC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765781 PHTIYFZSAHRDQW-UHFFFAOYSA-N 416.411 3.594 5 50 HHBA O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CN(Cc2ccccc2)C[C@@H]1C(F)(F)F 225407222 NICAHBUCGUENLF-OALUTQOASA-N 421.419 3.564 5 50 HHBA CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 471507304 KMNPKMMKFZXDLE-SECBINFHSA-N 417.285 3.785 5 50 HHBA O=[N+]([O-])c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 888802 PSGJRONFPBVXPC-LJQANCHMSA-N 403.438 3.975 5 50 HHBA COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1[N+](=O)[O-] 1185452 KCRGCTAWDICWGS-UHFFFAOYSA-N 403.398 3.898 5 50 HHBA COc1cc(OC)c([C@@H]2SCCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 5068560 VMPVFWVXSXMDPW-IBGZPJMESA-N 404.444 3.508 5 50 HHBA COc1c(C)cccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12860770 YIVBFUHPGJZRAR-UHFFFAOYSA-N 423.391 3.893 5 50 HHBA Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)c1 4333378 ZSIKQRIHPPWZTO-UHFFFAOYSA-N 419.485 3.668 5 50 HHBA CCOC(=O)c1ccc2c(CN(C)C)c(-c3ccc([N+](=O)[O-])cc3)c(CN(C)C)n2c1 4580540 YHDOIJHYRRNOOS-UHFFFAOYSA-N 424.501 3.814 5 50 HHBA COc1ccc(C(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)c(SC)c1 12420077 WABUDRQBNGLDBU-OAHLLOKOSA-N 424.862 3.925 5 50 HHBA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@H]21 239046597 FTBGEBZVDYQPMO-VMDGZTHMSA-N 406.394 3.516 5 50 HHBA O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1ccccc1[N+](=O)[O-] 13892641 NNGLOQIFLCYVKY-UHFFFAOYSA-N 419.422 3.925 5 50 HHBA CC[C@@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C 2325862338 QOYIHOPLKVEDFM-CXAGYDPISA-N 413.305 3.777 5 50 HHBA Cc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 1054510 ULJNXWJHTDUSAS-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 1189839 IWFKGCPTAUUZGL-INIZCTEOSA-N 402.863 3.680 5 50 HHBA COc1ccc(CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cc1[N+](=O)[O-] 1060868 SIMISKCZJZJLMU-UHFFFAOYSA-N 412.467 3.821 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 170596307 VLILMZOPXHBEPZ-OAHLLOKOSA-N 422.416 3.773 5 50 HHBA COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc1OC 2796593 XJNDNTXQGMCQRY-UHFFFAOYSA-N 410.430 3.726 5 50 HHBA O=C(c1ccccc1[N+](=O)[O-])n1nc(-c2cccnc2)nc1NCc1ccccc1 4821264 QWMJPMWRCXRLGR-UHFFFAOYSA-N 400.398 3.549 5 50 HHBA CCOc1ccc(CCNC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC 17091854 LPOLXHALCWEAAR-UHFFFAOYSA-N 419.503 3.930 5 50 HHBA NC(=O)[C@H]1CCCN(Cc2cccc(CNc3cc(Cl)ccc3[N+](=O)[O-])c2)C1 225820255 PVQVFWHBGHGOAX-INIZCTEOSA-N 402.882 3.558 5 50 HHBA O=C(/C=C/c1cccs1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 3878496 VCXUELGDUFIHBN-GQCTYLIASA-N 412.290 3.945 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 16361044 PZEWSWISZOWGSZ-UHFFFAOYSA-N 424.379 3.976 5 50 HHBA CC(C)(C)NC(=O)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845306 IGEUBSOGJPKUGJ-UHFFFAOYSA-N 407.352 3.852 5 50 HHBA COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 1127017 HQAKVVSALOVPHJ-UHFFFAOYSA-N 421.409 3.873 5 50 HHBA C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1151289 MIPIEJOYRGIRJV-MRVPVSSYSA-N 408.197 3.525 5 50 HHBA CCOC(=O)c1ccc(COC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 1116009 RSPZQQMGKKCGGT-UHFFFAOYSA-N 408.204 3.891 5 50 HHBA Cn1cc(CN[C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 237785577 QTRHISHZKFKJRT-LJQANCHMSA-N 409.465 3.893 5 50 HHBA COc1ccc(OC)c(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 2899801 HMZATSFCXKIHJJ-UHFFFAOYSA-N 405.457 3.953 5 50 HHBA O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cccc([N+](=O)[O-])c1Br 170593552 JHZFZQGBTHRWDY-UHFFFAOYSA-N 418.247 3.846 5 50 HHBA O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4575406 PTERCQACJBDWSI-UHFFFAOYSA-N 406.442 3.762 5 50 HHBA CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc21 4676077 WUDLASNXXPSUKD-UHFFFAOYSA-N 408.443 3.638 5 50 HHBA CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1 4998767 QNBQSKYUXUNVEY-UHFFFAOYSA-N 418.881 3.651 5 50 HHBA CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4845824 YOXYLEFWTMOTFG-QGZVFWFLSA-N 417.487 3.800 5 50 HHBA CC(C)(C)C(=O)N1CCN(c2cc(N3CCCCCC3)c(F)cc2[N+](=O)[O-])CC1 4998215 MLMAWVBVNLUDBA-UHFFFAOYSA-N 406.502 3.809 5 50 HHBA CC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Br)cc3[N+](=O)[O-])C(=O)[C@H]21 100184580 JGFKJRJPMAOZLQ-HOJOPBEUSA-N 403.232 3.615 5 50 HHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 867201 BMZDWBRSUZOUKE-KRWDZBQOSA-N 416.821 3.523 5 50 HHBA O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 4065200 ZYEHDINWTYJLFE-UHFFFAOYSA-N 413.345 3.564 5 50 HHBA O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl 1134908 QLGDELUNTDHFAW-UHFFFAOYSA-N 404.879 3.975 5 50 HHBA O=C(NCCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 4844883 MIWCELHLXXHHJL-OQKWZONESA-N 415.449 3.725 5 50 HHBA O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 4573349 CYXZSDMOMRXCPF-UHFFFAOYSA-N 403.910 3.975 5 50 HHBA CCOc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 9089709 BDNKPSSZKUZZPX-UHFFFAOYSA-N 424.276 3.883 5 50 HHBA C[C@@]12CC3CC(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 18254629 MXNSHYIOGBQANN-QLOAFGCXSA-N 413.518 3.910 5 50 HHBA C[C@H](Oc1ccccc1)c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1C 8388725 BLEPKDJBSIIVMJ-ZDUSSCGKSA-N 413.459 3.594 5 50 HHBA O=C(CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)Nc1cccc([N+](=O)[O-])c1 17093463 INMIAHKJILZRAH-UHFFFAOYSA-N 423.300 3.658 5 50 HHBA COc1ccc(NC(=O)c2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 1198866 ANHMZHTYHWGHHY-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA CN(C)c1ccc(N2CCC(NCc3ccc([N+](=O)[O-])c(OC4CC4)c3)CC2)cc1 2325872664 IOAIHVCZCRWYQL-UHFFFAOYSA-N 410.518 3.961 5 50 HHBA Cc1nn(S(=O)(=O)c2ccc(F)cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 1157002 BLUIRJGRGXDWFD-UHFFFAOYSA-N 407.448 3.935 5 50 HHBA CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 4845825 YOXYLEFWTMOTFG-KRWDZBQOSA-N 417.487 3.800 5 50 HHBA O=C(COc1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 5101208 PMISWSOKBPDMBO-UHFFFAOYSA-N 410.257 3.629 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 14137180 DQESMZKXKBHEKB-UHFFFAOYSA-N 419.850 3.773 5 50 HHBA O=C1C[C@H](C(=O)N2CCCc3cccc(Cl)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 726367726 GLZMOYNFOOIPFR-ZDUSSCGKSA-N 417.824 3.720 5 50 HHBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4820934 USBIXQBASMFOEO-UHFFFAOYSA-N 418.453 3.670 5 50 HHBA O=C(Nc1cccc(O)c1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 5049528 KVAVAQYAIJKSAP-MOSHPQCFSA-N 403.394 3.710 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccccc1[N+](=O)[O-] 672419 DBLRENLKCHPWCI-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1 867177 GWVGVWGCMVFPIA-KRWDZBQOSA-N 416.821 3.523 5 50 HHBA COc1cc(OC)cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 1049345 UUSRXFJZFXWTFX-UHFFFAOYSA-N 401.400 3.637 5 50 HHBA CC(=O)c1sc(Nc2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)o2)nc1C 25573640 JYMUCQQXZUVYJN-UHFFFAOYSA-N 404.364 3.573 5 50 HHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@@]2(CCc3ccccc32)C1 445138349 PJYMFOXIXVKGCO-SANMLTNESA-N 410.473 3.995 5 50 HHBA CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O 2897789 PUPGYVWPYRZTRC-UHFFFAOYSA-N 417.761 3.637 5 50 HHBA CCNc1cc(N2CCN(C(=O)c3ccc(C)c(Cl)c3)CC2)ccc1[N+](=O)[O-] 4740898 FRPHOGMLGFBARB-UHFFFAOYSA-N 402.882 3.951 5 50 HHBA O=C(Nc1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13746144 IUHAUVJZIWJEKS-UHFFFAOYSA-N 405.252 3.711 5 50 HHBA COc1ccc(Br)cc1CN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 96100777 UISMUIOFJGQYEF-UHFFFAOYSA-N 420.307 3.684 5 50 HHBA COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 1453683 MGDWWBUUBYMRMP-UHFFFAOYSA-N 424.365 3.680 5 50 HHBA Cc1c(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])s2)oc2c1ccc1ccccc12 2325707072 XGVOYUGVJVKQFN-UHFFFAOYSA-N 416.436 3.983 5 50 HHBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@@H]1C[C@@H]1Cc1ccccc1 2325828049 XNBUVZHTPNYZNP-MTQWCTHYSA-N 421.497 3.549 5 50 HHBA Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2cccc(Br)c2)no1 225732009 LRWDCRZDYAPBQI-UHFFFAOYSA-N 417.219 3.646 5 50 HHBA COC(=O)C1=CN(C2CCCC2)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 1165315 YOSRYOZORWDIQQ-UHFFFAOYSA-N 420.849 3.704 5 50 HHBA Cc1cccc2nc(CNC(=O)c3ccc(N4C[C@H](C)C[C@@H](C)C4)c([N+](=O)[O-])c3)cn12 170623486 MZZOBBBXYYIGRH-HZPDHXFCSA-N 421.501 3.963 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 17091039 ZNSXYHNSJYECDB-ZIAGYGMSSA-N 417.443 3.738 5 50 HHBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1Cl 52537621 OJCLLBNVVMCUBE-UHFFFAOYSA-N 409.273 3.662 5 50 HHBA CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 170619828 FFJNBVMREWXNDN-UHFFFAOYSA-N 424.784 3.809 5 50 HHBA CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl 1195981 BDUVVKGFBTYSPB-UHFFFAOYSA-N 411.867 3.531 5 50 HHBA COc1ccc(C(=O)Nc2ccc(I)cc2F)cc1[N+](=O)[O-] 1070974 GKKXUNGTIYOBRJ-UHFFFAOYSA-N 416.146 3.599 5 50 HHBA C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(N2CCCCC2)c2nonc12 20606262 VWYYUHCNZLRBHP-CYBMUJFWSA-N 411.418 3.527 5 50 HHBA Cn1c(=O)cc(N2CC(c3ccc([N+](=O)[O-])cc3Br)C2)c2ccccc21 2325829357 HPHRIRBLNUTAIZ-UHFFFAOYSA-N 414.259 3.813 5 50 HHBA CCn1cc([N+](=O)[O-])c(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)n1 2785476 YSEUHRKINHZWFR-UHFFFAOYSA-N 420.832 3.718 5 50 HHBA CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 1185765 KWSOUCWYQRVVHU-UHFFFAOYSA-N 405.451 3.923 5 50 HHBA O=C(c1ccccc1)N1CCN(c2cc(N3CCCCC3)c(F)cc2[N+](=O)[O-])CC1 5060973 TUKUCHCWWBHQIN-UHFFFAOYSA-N 412.465 3.687 5 50 HHBA COc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc([N+](=O)[O-])c1O 5329674 HXWWECQBQHBBMC-UHFFFAOYSA-N 411.380 3.650 5 50 HHBA O=[N+]([O-])c1ccc(Cl)cc1NCCNS(=O)(=O)c1ccc2ccccc2c1 4565475 CUSJQTVDGIKFRO-UHFFFAOYSA-N 405.863 3.792 5 50 HHBA O=C(Nc1cccc(Cl)c1)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1 19799805 IUOQCIANQHJADN-UHFFFAOYSA-N 418.881 3.635 5 50 HHBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1 4575241 OIMCDBZZAQVQAA-UHFFFAOYSA-N 420.469 3.805 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 13601178 KDYMHVZPKBYMRW-UHFFFAOYSA-N 423.450 3.599 5 50 HHBA CCOC(=O)C[C@@H](NC(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(OCC)cc1 4653385 AFRODDMXTKRMMO-QGZVFWFLSA-N 400.431 3.726 5 50 HHBA CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 4663539 MEQNQZLHDHPLNG-UHFFFAOYSA-N 403.460 3.909 5 50 HHBA Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1C 22145882 NXYVZEXRDQREHA-UHFFFAOYSA-N 403.866 3.593 5 50 HHBA O=C(COn1nnc2ccc([N+](=O)[O-])cc21)N1c2ccccc2Sc2ccccc21 708695 KDSFUJWAOCQLKS-UHFFFAOYSA-N 419.422 3.598 5 50 HHBA O=C(Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 3154681 ZVLYHUFBGCNDSE-UHFFFAOYSA-N 407.338 3.975 5 50 HHBA CCN(CC)C(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 4644965 SYVGUFPMISAAKO-SXYIGIQMSA-N 413.518 3.778 5 50 HHBA C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCN1S(=O)(=O)c1ccc2ccccc2c1 4687599 DQJSCJBQOZFVMN-INIZCTEOSA-N 411.483 3.647 5 50 HHBA O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8892468 JHRYUADSTCVOTA-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951463 QEYVVTAXXYBRCT-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA O=C(NCc1ccccc1)/C(=C\c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 4996564 ZQGVUXCENCFYJA-HMMYKYKNSA-N 401.422 3.682 5 50 HHBA CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc2c(c1)OCO2 1123842 BFVMIPUDZKDKQJ-UHFFFAOYSA-N 412.427 3.577 5 50 HHBA CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4602082 BDNAUONLKXSDAH-KRWDZBQOSA-N 406.822 3.983 5 50 HHBA O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(COCC(F)(F)C(F)F)cc2)c1 15231415 PKDPLSJTUVEFDJ-UHFFFAOYSA-N 422.356 3.813 5 50 HHBA O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc2c(=O)c3cccc(F)c3[nH]c12 888093380 DSXCZBODJDTSPA-UHFFFAOYSA-N 417.440 3.909 5 50 HHBA CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(OC)cc2)c([N+](=O)[O-])c1 4937917 NDDQODHEJCVPNW-IZZDOVSWSA-N 401.444 3.529 5 50 HHBA CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 101008565 VLYFVRCSFKTVID-KRWDZBQOSA-N 417.874 3.741 5 50 HHBA aggregator O=C(OCc1ccccc1F)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1074699 GVGQQYMKBSYKCY-UHFFFAOYSA-N 415.398 3.924 5 50 HHBA O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1ccc([N+](=O)[O-])cc1 1134932 RQYUBEBZZJTYNY-UHFFFAOYSA-N 411.439 3.920 5 50 HHBA O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Br)ccc1O 1192960 SOGFTMJJUPTYNL-FPYGCLRLSA-N 422.260 3.589 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccs2)C(=O)N1c1ccc([N+](=O)[O-])cc1 169688906 NHKZQPFXZRNZHB-GBESFXJTSA-N 421.434 3.707 5 50 HHBA Cc1csc(CNC(=O)C(C)(C)Nc2ccc(Br)cc2[N+](=O)[O-])n1 225730266 AMAFEZKGSZKEDW-UHFFFAOYSA-N 413.297 3.629 5 50 HHBA O=C(O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 763014 ZFXDLELHYGFGTK-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA O=C(NC1CCCC1)c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1 845315 MWMKKTGVSFKYEC-UHFFFAOYSA-N 419.363 3.996 5 50 HHBA Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])o1 4698649 SPGHQSIATNCSSH-UHFFFAOYSA-N 414.443 3.904 5 50 HHBA Cc1cc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)ccc1[N+](=O)[O-] 2876956 GSUKGGWYPHMEST-UHFFFAOYSA-N 417.487 3.767 5 50 HHBA O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 1148373 BMKHUTNCMVCECL-UHFFFAOYSA-N 406.354 3.922 5 50 HHBA CSc1nnc2c(n1)O[C@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 1169090 HWIVMYFHFOOKLQ-GOSISDBHSA-N 409.427 3.613 5 50 HHBA Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 1179673 BSEULLFKUPKDHR-DEOSSOPVSA-N 416.433 3.911 5 50 HHBA O=C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)n1nnc2ccccc21 1109211 WGABTRCGPJJPMK-UHFFFAOYSA-N 410.393 3.881 5 50 HHBA O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc([N+](=O)[O-])cc2)C3=O)cc1 4962631 XKKIVARYZMQYCO-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 3880225 BQOCERMFCOVGRR-UHFFFAOYSA-N 410.257 3.629 5 50 HHBA O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cs1 2910473 YQOPXFDGEXWIBZ-UHFFFAOYSA-N 403.441 3.709 5 50 HHBA O=[N+]([O-])c1ccc(Nc2cc(Nc3ccccc3O)c3nonc3c2[N+](=O)[O-])c(O)c1 16513092 ANHSDYNJHLNYDF-UHFFFAOYSA-N 424.329 3.938 5 50 HHBA CC(=O)Nc1cccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2729019 VFZLOSKUFDIWHZ-UHFFFAOYSA-N 407.430 3.667 5 50 HHBA CNc1cc(N2CCN(C(=O)Cc3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 4703726 ZDUXYLUVFNQVII-UHFFFAOYSA-N 404.470 3.681 5 50 HHBA CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1168990 PLQXVJMVOHSPFM-QGZVFWFLSA-N 401.806 3.577 5 50 HHBA O=[N+]([O-])c1cc(OC(F)(F)F)c(Br)cc1I 38537834 KSAYQVVFBCMSSL-UHFFFAOYSA-N 411.899 3.861 5 50 HHBA in-vitro COCCCNC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCC2 2673176 QJIQOOHBXCIOPJ-UHFFFAOYSA-N 417.487 3.554 5 50 HHBA CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1 2829034 XPIAVRMBUFGREZ-UHFFFAOYSA-N 400.460 3.850 5 50 HHBA CC(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cc1 434977107 OVFMHFRXKKOCLL-UHFFFAOYSA-N 414.443 3.624 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 17091037 ZNSXYHNSJYECDB-UONOGXRCSA-N 417.443 3.738 5 50 HHBA CC(C)(C)NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 5165770 NBMHZWSYYXJVJK-SFQUDFHCSA-N 401.850 3.934 5 50 HHBA COc1ccc(OCCn2c(=N)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 19953726 VKRLXIAJSFXAAN-UHFFFAOYSA-N 418.453 3.966 5 50 HHBA C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1 4548782 AKLZHBAZSLFYQG-JTQLQIEISA-N 404.275 3.681 5 50 HHBA CCOc1ccccc1CNC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1 2763235 ICFGCVJGEYHECP-UHFFFAOYSA-N 418.837 3.723 5 50 HHBA N=C(O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 328604631 KLTJDZFCVHOKSS-OAHLLOKOSA-N 419.441 3.684 5 50 HHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 867200 BMZDWBRSUZOUKE-QGZVFWFLSA-N 416.821 3.523 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 877109 GOMCDRPJJWSADK-UHFFFAOYSA-N 423.878 3.675 5 50 HHBA O=C(COC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 991323 JFHRFRJVRYYVOW-UHFFFAOYSA-N 404.378 3.887 5 50 HHBA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl 9635649 KSZLHBRAGZZYBM-UHFFFAOYSA-N 416.846 3.729 5 50 HHBA CCCC1(c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)C(=O)OC2(CCCCC2)OC1=O 257355036 JWAHHCQJIGIGMQ-UHFFFAOYSA-N 419.327 3.950 5 50 HHBA Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 1057071 DVRCFOVBAWGOLL-UHFFFAOYSA-N 416.459 3.553 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1[N+](=O)[O-] 1129647 SUHHHOZCDXEAQU-UHFFFAOYSA-N 414.487 3.721 5 50 HHBA COc1ccc(C2(CNC[C@H](O)c3cccc([N+](=O)[O-])c3)CCCC2)cc1OC 819919 YSFSWUMHZARBOM-IBGZPJMESA-N 400.475 3.747 5 50 HHBA O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1 2078022 ANRONBAJSBFYFY-UHFFFAOYSA-N 424.331 3.758 5 50 HHBA O=C(c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)n2n1)N1CCCC1 845322 LPRCRVOPZNHRRV-UHFFFAOYSA-N 405.336 3.559 5 50 HHBA CCCCC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 2820792 CQLIZYSDISYTSH-UHFFFAOYSA-N 401.419 3.750 5 50 HHBA CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1053227 MEMZLFYYQILKKD-UHFFFAOYSA-N 411.439 3.672 5 50 HHBA Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4614220 DRQJVVICKROGQM-HNNXBMFYSA-N 403.866 3.673 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc1Br 9601691 UMBSTSSNIRKQBK-UHFFFAOYSA-N 424.276 3.883 5 50 HHBA COc1ccc(Br)cc1CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 96297463 ZYKMKDWDCHNWJA-UHFFFAOYSA-N 420.307 3.684 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1189419 ZZLGUAHGVQBRNE-KRWDZBQOSA-N 416.890 3.988 5 50 HHBA COc1c(Cl)cc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4710902 WNCCZVHJDMNGOS-UHFFFAOYSA-N 410.257 3.873 5 50 HHBA O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1 229868069 KLSOIPVTUNNHBD-QHAWAJNXSA-N 415.405 3.646 5 50 HHBA COc1ccc(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1Br 865166 RNBNIJRPZQEZIF-UHFFFAOYSA-N 420.307 3.684 5 50 HHBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)c1ccc(Br)cc1 4743417 OSWIUNFBOYYDHZ-KRWDZBQOSA-N 404.220 3.771 5 50 HHBA O=C(c1c2ccccc2cc2ccccc12)N1CCC[C@@]12CCCN(CCO)C2=O 2356168088 OVCUFBBSUMLTQG-RUZDIDTESA-N 402.494 3.583 5 50 HHBA COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2cccs2)cc1 1050127 VXKKSXMQGPJEQQ-UHFFFAOYSA-N 418.452 3.701 5 50 HHBA COc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 15011007 MSLKKNDENLLYNJ-ATVHPVEESA-N 414.439 3.978 5 50 HHBA C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 170591394 HHZJHHFVAZCACV-NSHDSACASA-N 402.289 3.702 5 50 HHBA O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC=C(c2ccnc3[nH]ccc23)CC1 1875257701 XDJGZSTUAFOZDS-UHFFFAOYSA-N 414.425 3.586 5 50 HHBA CCOC(=O)c1ccc(COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 1121104 QDSWHWUDNHZQKB-UHFFFAOYSA-N 408.204 3.891 5 50 HHBA O=C(NCc1ccccc1)/C(=C\c1ccccc1F)NC(=O)c1ccc([N+](=O)[O-])cc1 17729484 SMZBGMJCXCHJBW-KGENOOAVSA-N 419.412 3.821 5 50 HHBA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2c1 2501548 HOQHPRPNOSRVMN-UHFFFAOYSA-N 411.848 3.514 5 50 HHBA COc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1[N+](=O)[O-] 16227691 OIJJODYICORGBM-UHFFFAOYSA-N 416.242 3.743 5 50 HHBA CCN1C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)OCCc2ccccc2)=C1C 844329 WDPKBRZXCXWHCN-FQEVSTJZSA-N 409.442 3.741 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2F)c2ccccc21)c1cccc([N+](=O)[O-])c1 16381823 MBKMCFVXELPSJM-QHCPKHFHSA-N 420.396 3.741 5 50 HHBA O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1 100711680 FKTXAJQBICUBOF-PWRODBHTSA-N 415.405 3.646 5 50 HHBA COc1ccc(N(C(=O)C2CCCCC2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 6147532 FFMNRZZBWOWSLS-UHFFFAOYSA-N 418.471 3.906 5 50 HHBA COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@](O)(c2ccccc2)CC1 225812016 IRPNBQBWSKIMTB-HXUWFJFHSA-N 404.850 3.913 5 50 HHBA O=C(NCc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 799851 JVQZRXIZNNLBFW-QNGOZBTKSA-N 401.422 3.682 5 50 HHBA CCOC(=O)c1c(CC(C)C)csc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1194667 SUDXRGLCOBHJBH-UHFFFAOYSA-N 402.428 3.832 5 50 HHBA O=[N+]([O-])c1ccc([C@@H](O)CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 33353685 RMOUWVCHCMBBMC-ZDUSSCGKSA-N 416.268 3.576 5 50 HHBA COc1ccc(Nc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])cc1 3878879 VVFHJUFPAGTDCL-UHFFFAOYSA-N 418.409 3.946 5 50 HHBA COc1cc(C(=O)N=c2cc(-c3ccccc3C(F)(F)F)[nH][nH]2)ccc1[N+](=O)[O-] 1875311139 OIQPMXKYJOOGOE-UHFFFAOYSA-N 406.320 3.687 5 50 HHBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 4143444 ZAXIMIPMCFEBOT-UHFFFAOYSA-N 424.432 3.901 5 50 HHBA O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4705256 PRWQXHLAUOTFBH-UHFFFAOYSA-N 410.455 3.807 5 50 HHBA aggregator C[C@@H]1CCCCN1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2744507 ZBXYWUNJIJQLEP-GFCCVEGCSA-N 407.268 3.617 5 50 HHBA CC1=C(C(=O)Nc2ccc(F)c(F)c2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1156888 XEFDPJFZWHQWKC-INIZCTEOSA-N 422.775 3.793 5 50 HHBA COc1cc(CN2CCN(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])cc1OC 96836646 AOEKQPHMMKDNCF-UHFFFAOYSA-N 405.882 3.583 5 50 HHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(-c2cnc3ccccc3n2)cc1 1764379 VKMMXBNPZGLPQY-UHFFFAOYSA-N 407.407 3.973 5 50 HHBA COc1ccc(-c2csc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 9892095 UXQXESRTFMSWND-UHFFFAOYSA-N 414.468 3.854 5 50 HHBA CC(C)(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 4687951 HJOAKKNXIIZQPH-UHFFFAOYSA-N 422.529 3.852 5 50 HHBA COC(=O)c1ccc(/C(=C/c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)o1 2532368 JANAQDIKWZQFDJ-UYRXBGFRSA-N 413.407 3.946 5 50 HHBA CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 9109710 IWBIYQPBDSAKRM-UHFFFAOYSA-N 411.848 3.514 5 50 HHBA O=C(c1ccc(Br)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 9635957 TXWGVQWZEAYCFE-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCO[C@]2(CCc3ccccc32)C1 445138345 PJYMFOXIXVKGCO-AREMUKBSSA-N 410.473 3.995 5 50 HHBA Cc1ccc(F)c2c1CCCN2C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 731583500 QMCHQDWWWSJPNR-ZDUSSCGKSA-N 415.396 3.514 5 50 HHBA CSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])N(C(C)=O)c1ccccc1-2 1169089 HWIVMYFHFOOKLQ-SFHVURJKSA-N 409.427 3.613 5 50 HHBA O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4688290 RCBIUEDFDBEJRQ-UHFFFAOYSA-N 400.504 3.609 5 50 HHBA CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@]1(C)c1ccc(Br)cc1 4743415 OSWIUNFBOYYDHZ-QGZVFWFLSA-N 404.220 3.771 5 50 HHBA O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cccc(-c2nc3ccccc3c(=O)o2)c1 1208927 UXRMSYYOUXRBFM-UHFFFAOYSA-N 413.345 3.564 5 50 HHBA Cc1ccc(S(=O)(=O)NCCSCc2ccccc2Cl)cc1[N+](=O)[O-] 5023191 RPOKZRAWRIUWOV-UHFFFAOYSA-N 400.909 3.768 5 50 HHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 89806986 CGELOHPAFHOJPP-UHFFFAOYSA-N 409.364 3.665 5 50 HHBA CN(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)CC1CCN(C(=O)OC(C)(C)C)CC1 1460958707 IPDPQIMIHJPKQM-UHFFFAOYSA-N 403.483 3.550 5 50 HHBA CCOC(=O)c1ccc(COC(=O)Cc2ccc([N+](=O)[O-])cc2)c(Br)c1 1116076 AKNQMFXDKMQQDQ-UHFFFAOYSA-N 422.231 3.820 5 50 HHBA O=C(O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 851575 JAPDEGYDAXQYHE-UHFFFAOYSA-N 414.395 3.886 5 50 HHBA COc1ccc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)cc1O 1207927 UCFIACXBWZXCSA-UHFFFAOYSA-N 406.350 3.902 5 50 HHBA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 101317811 IFNQRPOBVCDZRH-ACWOFJMJSA-N 406.394 3.516 5 50 HHBA Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1[C@H](O)c1ccccc1 1106042 OPIJHEVWUOHSPT-CQSZACIVSA-N 410.377 3.975 5 50 HHBA Cc1cc(F)c(F)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)c1Cl 5044370 SKLZSNKXBTVXPL-UHFFFAOYSA-N 413.783 3.936 5 50 HHBA O=c1c2cc3c(=O)n(-c4cccc(Cl)c4)ccc3nc2ccn1Cc1ccccn1 36125585 SSMRVRVFIKUFIV-UHFFFAOYSA-N 414.852 3.797 5 50 HHBA COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1I 672209 JILYNBNHVMRIJL-UHFFFAOYSA-N 412.183 3.769 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccccc1 169685016 FKTXAJQBICUBOF-PCCBWWKXSA-N 415.405 3.646 5 50 HHBA CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n[nH]1 471507305 KMNPKMMKFZXDLE-VIFPVBQESA-N 417.285 3.785 5 50 HHBA O=C1C[C@@H](C(=O)N2CCCc3cccc(Cl)c32)CN1c1ccc(F)c([N+](=O)[O-])c1 726367724 GLZMOYNFOOIPFR-CYBMUJFWSA-N 417.824 3.720 5 50 HHBA O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1[N+](=O)[O-] 2984884 OLGRLNHDJDDNAF-UHFFFAOYSA-N 419.422 3.925 5 50 HHBA CC(C)N1C(=O)[C@@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C1=O 245241713 NOMVSDQTOAIXOV-KZNAEPCWSA-N 415.833 3.503 5 50 HHBA COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)NC2=S)cc1 9295731 WJBIYBIHMWRIDO-UYRXBGFRSA-N 420.450 3.656 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1183063 CSJDLNPHAYXRCL-QHCPKHFHSA-N 402.406 3.602 5 50 HHBA CN(c1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 2856208 AGUSYSMEEWRHHY-UHFFFAOYSA-N 411.439 3.672 5 50 HHBA O=[N+]([O-])c1c(Br)cc(Br)c([N+](=O)[O-])c1Br 3123325 XFVVPWNDDKXOKG-UHFFFAOYSA-N 404.796 3.791 5 50 HHBA O=C(Cc1cc2c(cc1[N+](=O)[O-])C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 1848444019 CQIGMLORRFSKIN-UHFFFAOYSA-N 400.390 3.816 5 50 HHBA Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 2860395 YPUMWBYRXNFSDZ-UHFFFAOYSA-N 408.443 3.939 5 50 HHBA C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 239164790 MXMQSSRBPPKJAF-VMDGZTHMSA-N 408.410 3.740 5 50 HHBA CCc1cccc2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 733869041 MAJGHYZGAUUYFZ-MRXNPFEDSA-N 411.433 3.629 5 50 HHBA O=C(Oc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1 2895949 RXQOXZNMKWEJLC-UHFFFAOYSA-N 408.322 3.941 5 50 HHBA Cc1ccc(C(=O)N/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N2CCC(C)CC2)cc1 4697030 FVCVGAFKZBOXRT-RCCKNPSSSA-N 407.470 3.933 5 50 HHBA O=c1c2cc3c(=O)n(-c4ccccn4)ccc3nc2ccn1-c1cccc(Cl)c1 38829456 DAGYAGMWLPCRTL-UHFFFAOYSA-N 400.825 3.738 5 50 HHBA C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 4980325 FBKFVHLTUCCXFF-HUUCEWRRSA-N 417.487 3.799 5 50 HHBA CCOC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 5967287 ISEHDJOJUJWUIA-UHFFFAOYSA-N 410.473 3.513 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1 2853097 NXKZASZEAQHYEY-UHFFFAOYSA-N 406.324 3.897 5 50 HHBA Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 4333847 DHXLZUAPIWECKL-UHFFFAOYSA-N 408.502 3.856 5 50 HHBA N=C(O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 328604630 KLTJDZFCVHOKSS-HNNXBMFYSA-N 419.441 3.684 5 50 HHBA O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 13305307 MKAOVJCSKHJDCJ-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4810670 LQOIVASMJWKNQX-UHFFFAOYSA-N 406.414 3.600 5 50 HHBA CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1053223 WHNQQUUEMOFHIP-UHFFFAOYSA-N 411.439 3.672 5 50 HHBA O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1 4070131 FKTXAJQBICUBOF-NJDAHSKKSA-N 415.405 3.646 5 50 HHBA O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCCNS(=O)(=O)c1ccccc1 4182962 ONGBHUNASFGWEA-UHFFFAOYSA-N 417.409 3.784 5 50 HHBA CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1ccccc1O 2875221 ZXQACBKUULCULJ-UHFFFAOYSA-N 413.459 3.618 5 50 HHBA Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCn1cc([N+](=O)[O-])cn1 17082446 AYXURASQDZRPSF-UHFFFAOYSA-N 402.480 3.546 5 50 HHBA Cc1ccc(Cl)cc1NC(=O)NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 55545173 ZZTMAPNEZFJXHP-UHFFFAOYSA-N 417.897 3.500 5 50 HHBA COc1ccc(Cl)cc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1 867176 GWVGVWGCMVFPIA-QGZVFWFLSA-N 416.821 3.523 5 50 HHBA COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 4687938 RCYWGFOJTXNSGY-UHFFFAOYSA-N 409.364 3.585 5 50 HHBA O=C(NC1CCCCCCC1)C12C[C@@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 17885226 ILWHNTGSJRHBGM-XBLGPDGASA-N 401.511 3.711 5 50 HHBA CN(c1c(F)cccc1C(=N)O)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl 328589871 LVKHAHRZICAMBS-UHFFFAOYSA-N 422.221 3.749 5 50 HHBA O=C1[C@H]2[C@H](C(=O)N1C1CCCCC1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1155304 KFFXKXIUYISEFM-YQORSWRPSA-N 402.450 3.600 5 50 HHBA Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 754816 VINRPVFEYCWQFE-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA COc1cc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)cc(OC)c1 2796561 MVHGLPVNWPUJEP-UHFFFAOYSA-N 410.430 3.726 5 50 HHBA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@@H]2C1 18247219 MXMQSSRBPPKJAF-UPRAQXHNSA-N 408.410 3.740 5 50 HHBA COc1cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1OC 998527 IQGAWCOETWEXAN-UHFFFAOYSA-N 405.882 3.583 5 50 HHBA COc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1Br 4952856 WDKUIJKKNOAHND-UHFFFAOYSA-N 420.307 3.684 5 50 HHBA O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1136784 XMWVFBNQJOYZLH-UHFFFAOYSA-N 402.362 3.752 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2cccc3cc(O)ccc23)cc1[N+](=O)[O-] 4757886 OJOONNWJKHEXGS-UHFFFAOYSA-N 411.439 3.979 5 50 HHBA O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)[C@@H]1CCCN1C(=O)OCc1ccccc1 764233127 IBCHWSCJPLVHBM-INIZCTEOSA-N 405.357 3.613 5 50 HHBA CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc(C)c1CC 996433 LSIUTKVTTHJWNR-UHFFFAOYSA-N 414.871 3.501 5 50 HHBA O=C(N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)C(Cl)(Cl)Cl 12860758 NPKISIACUIADSG-UHFFFAOYSA-N 420.602 3.632 5 50 HHBA O=[N+]([O-])c1ccc(CCN2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 328603794 HGHDFDTZWMBGJI-XMSQKQJNSA-N 405.458 3.636 5 50 HHBA O=C1OCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2c1ccc(C(F)(F)F)cc1 1429772 XXAQKSDMAWPLOT-HNNXBMFYSA-N 418.327 3.945 5 50 HHBA O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccccc1[N+](=O)[O-] 1063861 PSVJLWRPTCGVKM-UHFFFAOYSA-N 404.879 3.975 5 50 HHBA CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12 22918825 KOLPZKQPBGVSAU-UHFFFAOYSA-N 406.618 3.980 5 50 HHBA Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)n1 229799311 KQAUNYYCEYORCU-HZPDHXFCSA-N 413.522 3.711 5 50 HHBA COc1ccc(Cn2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)cc1 40398767 CXVIRZYAKVTLPD-UHFFFAOYSA-N 423.472 3.817 5 50 HHBA COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 857423 APICFTQVBWHMOV-UHFFFAOYSA-N 400.416 3.693 5 50 HHBA O=[N+]([O-])c1ccc2[nH]c(=N[C@H](CCO)c3ccc(Br)cc3)sc2c1 2325874628 VCSATWVQVVLQDP-CYBMUJFWSA-N 408.277 3.925 5 50 HHBA CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 3832830 NNOHEQGDSBEQHA-UHFFFAOYSA-N 404.400 3.627 5 50 HHBA CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 100501078 BGPNPCHJMQYBCR-UHFFFAOYSA-N 413.470 3.827 5 50 HHBA COc1ccc(NC(=O)c2ccccc2NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 1145713 OAUSMGQCYALQDZ-UHFFFAOYSA-N 421.409 3.873 5 50 HHBA COc1cccc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)c1OC 2761830 GCWWACGAMLSADZ-UHFFFAOYSA-N 400.309 3.805 5 50 HHBA O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 242648996 RPWSJKLCGWGNKM-UHFFFAOYSA-N 401.378 3.643 5 50 HHBA COCCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2090364 URCOWEVNXGXRJC-UHFFFAOYSA-N 404.444 3.591 5 50 HHBA CCOC(=O)c1cc(C(=O)Nc2cccc(Oc3cccnn3)c2)cc([N+](=O)[O-])c1 461529848 FTQKNIYXFKHOBJ-UHFFFAOYSA-N 408.370 3.606 5 50 HHBA Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 851579 HRBHRZUMWKOPFI-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c([N+](=O)[O-])c1 13644288 CHMHAQYWFJATJK-UHFFFAOYSA-N 410.455 3.693 5 50 HHBA O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4499333 ZOABYQASQNOWAN-UHFFFAOYSA-N 412.465 3.687 5 50 HHBA O=C1[C@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 4727091 RMJNJNUYUHXAPW-GDBMZVCRSA-N 405.888 3.996 5 50 HHBA Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccco3)c2)cc1[N+](=O)[O-] 9553570 FYUCWBHINOPIRV-UHFFFAOYSA-N 424.438 3.875 5 50 HHBA O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc3cncc(Br)c23)c1 328594305 YRKGWOLMCRTVMO-UHFFFAOYSA-N 408.233 3.706 5 50 HHBA COCCCNC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 3003929 IWWMUJANWCEDOQ-UHFFFAOYSA-N 417.487 3.554 5 50 HHBA COC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C 2101361 JGZWTOHNFKROQC-UHFFFAOYSA-N 406.416 3.569 5 50 HHBA COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(C)=O)c3c2)cc1[N+](=O)[O-] 4148322 LWHASFOGDONDMB-UHFFFAOYSA-N 404.400 3.661 5 50 HHBA COC(=O)c1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 8435518 VPZHLYJFOPXCAS-UHFFFAOYSA-N 418.361 3.974 5 50 HHBA O=C(c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1)N1[C@H]2CC[C@H]1CC(O)C2 170633170 CBSMFZMWABTREP-HOTGVXAUSA-N 415.877 3.988 5 50 HHBA C[C@H]1CCc2c(sc3nc4c5ccccc5c(NCCCN(C)C)nn4c(=O)c23)C1 1801813 FPPLCDJJNTVUQF-AWEZNQCLSA-N 421.570 3.946 5 50 HHBA CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 2826890 MNSGUTKNEQRNFG-UHFFFAOYSA-N 411.867 3.579 5 50 HHBA Nc1ncnc(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] 20389338 VBKXRKTZAJYNTK-GOSISDBHSA-N 424.892 3.532 5 50 HHBA O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1CCO 4845700 DMCHARZXDWZKSS-UHFFFAOYSA-N 411.801 3.733 5 50 HHBA CCCOc1ccc(-c2nc3cc4c(cc3[nH]2)[n+]([O-])c2ccccc2[n+]4[O-])cc1OC 5318685 VALNXHNLYJXRFZ-UHFFFAOYSA-N 416.437 3.601 5 50 HHBA O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 8435360 WABOSQDVYXVQAW-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1I 16346915 YFOCKXVMPHNVLR-UHFFFAOYSA-N 413.171 3.852 5 50 HHBA Cc1ccc(N2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)CC2)cc1 170640761 SEAJBCXKKQYYQU-UHFFFAOYSA-N 408.502 3.856 5 50 HHBA C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 252693382 DBFROQUVDRUPBV-BZUAXINKSA-N 423.465 3.721 5 50 HHBA biogenic O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1)N1CCCC1 1144422 AZVRGBFLLCFVJV-UHFFFAOYSA-N 423.498 3.616 5 50 HHBA COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)cc1 1156936 FUXCSTKEEOKKIE-UHFFFAOYSA-N 414.443 3.616 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2)cc1[N+](=O)[O-] 1174709 RETYHMDPPPRXIM-UHFFFAOYSA-N 416.503 3.967 5 50 HHBA O=c1c2c3c(sc2nc2c4ccccc4c(NC[C@@H]4CCCO4)nn12)CCCC3 632185 JHGQHHYGOFKDPG-ZDUSSCGKSA-N 406.511 3.927 5 50 HHBA O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1Br 1192733 FWWMBQZKHXPVGC-UHFFFAOYSA-N 407.249 3.964 5 50 HHBA O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1183064 CSJDLNPHAYXRCL-HSZRJFAPSA-N 402.406 3.602 5 50 HHBA N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 100642223 OCXNFKOWFZPFCO-UHFFFAOYSA-N 419.529 3.696 5 50 HHBA O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc2ccccc12 9553355 LJTAQRAVWXFLKI-UHFFFAOYSA-N 420.494 3.585 5 50 HHBA COc1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 1234971 VGTIZGIMTAGLFO-UHFFFAOYSA-N 402.362 3.635 5 50 HHBA Cc1nn(Cc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)c(C)c1[N+](=O)[O-] 2790122 HHRJJYXORGHGGF-UHFFFAOYSA-N 423.458 3.986 5 50 HHBA CCCCNS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 2828527 DPCUOTLLLVUMRD-UHFFFAOYSA-N 411.867 3.579 5 50 HHBA O=[N+]([O-])c1ccc(NCCCNS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 4414438 DGYKHFZEWGHBME-UHFFFAOYSA-N 404.275 3.682 5 50 HHBA O=c1[nH]c(O)nc(/C=C/c2ccc(-c3cccc(Br)c3)o2)c1[N+](=O)[O-] 5050643 BWIGCSYDRCOFBE-GQCTYLIASA-N 404.176 3.577 5 50 HHBA O=C(c1ccc(Br)cc1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8816624 GPVQERUDADVNNZ-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA C[C@H]1CCCCN1c1cc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1F 4624321 BMTVAIXEUAXKMA-HNNXBMFYSA-N 416.453 3.668 5 50 HHBA O=C(COC(=O)c1cnccn1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 8861075 VISTVNAWOJTQML-UHFFFAOYSA-N 413.773 3.870 5 50 HHBA COc1ccc(Cl)cc1C(=O)N[C@H](CC(=O)O)c1cc([N+](=O)[O-])ccc1Cl 4743388 OLIBYZGANJGQFJ-CQSZACIVSA-N 413.213 3.856 5 50 HHBA O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2nc1O 253427443 MKXKGFRQJPDJES-UHFFFAOYSA-N 422.422 3.711 5 50 HHBA CCN1C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)OCCc2ccccc2)=C1C 844377 UVZRXCFIJZQORU-FQEVSTJZSA-N 409.442 3.741 5 50 HHBA O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 19333792 DBFSSIRJZFKEPO-OAHLLOKOSA-N 402.665 3.811 5 50 HHBA O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1C1CCCCC1 1155306 KFFXKXIUYISEFM-ISQHLFTMSA-N 402.450 3.600 5 50 HHBA Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)s2)c([N+](=O)[O-])c1 4726181 KPAYOQWUKVVIRJ-UHFFFAOYSA-N 401.473 3.856 5 50 HHBA Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@H]1Cc1ccccc1 2325828048 XNBUVZHTPNYZNP-IYWMVGAKSA-N 421.497 3.549 5 50 HHBA COc1cc(C=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 1171069 UPAIVVIYRRSMIS-UHFFFAOYSA-N 413.167 3.600 5 50 HHBA CCOc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4c(OC)cccc4c3n2)cc1 2873552 GXKPQEVHARYSSH-UHFFFAOYSA-N 405.410 3.769 5 50 HHBA CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccccc1F 4723703 YFIXQVDHUJIAQG-UHFFFAOYSA-N 401.423 3.743 5 50 HHBA O=[N+]([O-])c1cnc(N(CCc2ccccn2)Cc2cccnc2)c(Br)c1 225479252 VCWOVJXJLMJBSI-UHFFFAOYSA-N 414.263 3.792 5 50 HHBA Cc1cc(F)cc2c1N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2 731329595 AZBFVRJQLYPHOF-CQSZACIVSA-N 415.396 3.514 5 50 HHBA CC(C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 719669 WTRDKMCKJILOMK-INIZCTEOSA-N 401.806 3.508 5 50 HHBA O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 1064943 ISISUAOEJQDIRY-UHFFFAOYSA-N 419.368 3.588 5 50 HHBA O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)cc1 2762720 LZYFKNGPVUCSRD-UHFFFAOYSA-N 407.268 3.665 5 50 HHBA O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl 1165466 DBDNBQNIOQGXTL-UHFFFAOYSA-N 416.846 3.729 5 50 HHBA O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2173642 XAAOMDKAYBKVAU-UHFFFAOYSA-N 415.214 3.937 5 50 HHBA COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 9261132 CDOQJFFDEWRMRA-VGOFMYFVSA-N 422.802 3.718 5 50 HHBA COc1cc(F)c(S(=O)(=O)Nc2ccccc2OC2CCCC2)cc1[N+](=O)[O-] 328595729 CNTDQDOKIVVAJE-UHFFFAOYSA-N 410.423 3.865 5 50 HHBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4543494 WRORJJHULOBSLL-UHFFFAOYSA-N 412.465 3.687 5 50 HHBA O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])s1 32619736 MKPFBDPGRKHIDN-JXAWBTAJSA-N 423.498 3.706 5 50 HHBA CCCCCC[N@@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@H]([C@H](CC)[C@H]2O)[C@H]3[C@@H]5O 252460274 DAECYOJSYCGTFP-MECJIEFOSA-N 411.610 3.650 5 50 HHBA biogenic O=C(NCCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])nn1Cc1ccccc1F 4772574 CYLDYPWFNIPYOW-UHFFFAOYSA-N 402.813 3.605 5 50 HHBA Cc1c(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)oc2ccc(F)cc12 471115576 JGIKPLWWIZBPFD-UHFFFAOYSA-N 416.390 3.979 5 50 HHBA CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc([N+](=O)[O-])cc1 1074259 ZWOAAFFJCHSDLP-UHFFFAOYSA-N 411.487 3.737 5 50 HHBA C[C@@H]1C=CC[C@@H]2C(=O)N(c3ccccc3OC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 239105317 IFNQRPOBVCDZRH-AZOIQLNYSA-N 406.394 3.516 5 50 HHBA O=[N+]([O-])c1ccc2[nH]c(=N[C@@H](CCO)c3ccc(Br)cc3)sc2c1 2325874629 VCSATWVQVVLQDP-ZDUSSCGKSA-N 408.277 3.925 5 50 HHBA CC(C)OC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1125170 DPZGPTMVBCDDTA-IZZDOVSWSA-N 413.455 3.686 5 50 HHBA C[C@H]1CCCCN1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 2744506 ZBXYWUNJIJQLEP-LBPRGKRZSA-N 407.268 3.617 5 50 HHBA O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc([N+](=O)[O-])cc1 1135853 HXVPSYWAYIXOLV-UHFFFAOYSA-N 404.422 3.586 5 50 HHBA O=C(OC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 942347 HICBPEUAMGXMGN-UHFFFAOYSA-N 404.444 3.885 5 50 HHBA COc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4620942 OGQUOJSFTPYEBN-UHFFFAOYSA-N 409.364 3.585 5 50 HHBA COc1ccc(NC(=O)c2cccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)c2)cc1 1112087 PUJMCEDOOBBGNB-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cccc1[N+](=O)[O-] 1112709 LUWOWHYDLMVKDF-UHFFFAOYSA-N 417.487 3.720 5 50 HHBA O=C(CCC(=O)OCc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1 4906087 BSMFZRKFSCDNOC-UHFFFAOYSA-N 407.220 3.819 5 50 HHBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(F)cc1 2981774 UELBZJGCXXTGFW-UHFFFAOYSA-N 402.432 3.984 5 50 HHBA COc1cc2c(cc1OC)C1(CCCC1)CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 4964919 LPZFXWUAMOVUAH-HXUWFJFHSA-N 412.486 3.973 5 50 HHBA CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 708987 FFZXDGUHEBCAQU-INIZCTEOSA-N 402.863 3.680 5 50 HHBA O=C(c1ccccc1Br)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8816213 FGQGGNONJLCERO-UHFFFAOYSA-N 424.682 3.973 5 50 HHBA COc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC 9361240 UIUDHCCVSDXBOI-UHFFFAOYSA-N 415.427 3.996 5 50 HHBA COc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 1137905 IOAMZRXEBJHGKE-UHFFFAOYSA-N 409.364 3.585 5 50 HHBA O=C(C[S@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 2849245 QYOVKDKSKVPVHI-AREMUKBSSA-N 407.753 3.980 5 50 HHBA O=C(O)CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1Cl 5061619 QLSSTRLHIWSFKI-KRWDZBQOSA-N 401.806 3.791 5 50 HHBA CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1118190 VNVQGWGKHTVAOV-IZZDOVSWSA-N 412.471 3.716 5 50 HHBA Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)NC1CCCCC1 4350341 MWTBKZYQOXTEJO-UHFFFAOYSA-N 417.487 3.767 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1159114 LOQPHLBHXFDJNB-UHFFFAOYSA-N 423.450 3.599 5 50 HHBA CC1=C(C(=O)OCc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 853768 QYFCJQGLHVNPTE-INIZCTEOSA-N 400.818 3.869 5 50 HHBA O=C(c1ccc(Cl)cc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@]1(O)C(F)(F)F 1214632 FADUJUDQXRNFIF-MRXNPFEDSA-N 413.739 3.749 5 50 HHBA CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)N(C)C1=S 9296056 IWQINAQOZQUKNC-YBEGLDIGSA-N 417.874 3.857 5 50 HHBA Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 1068584 GDPVWQGQJXZNRR-UHFFFAOYSA-N 421.388 3.794 5 50 HHBA Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c1 3832697 XBIWYYCQKIMEBZ-UHFFFAOYSA-N 411.439 3.956 5 50 HHBA O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCCCc1nc2cccnc2[nH]1 225814333 AAFHTEPEDDDAKU-UHFFFAOYSA-N 416.310 3.960 5 50 HHBA O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccccc1 4457095 YZWHDDMGOCBTOI-LDADJPATSA-N 402.366 3.879 5 50 HHBA CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 2851781 HYZRUHDYOCIJPU-UHFFFAOYSA-N 401.488 3.997 5 50 HHBA CSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(C)=O)c1ccccc1-2 2603009 QXXMPSKMQBYYTL-SFHVURJKSA-N 409.427 3.613 5 50 HHBA O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4736786 DMRLFIGUYYCLRM-UHFFFAOYSA-N 418.453 3.670 5 50 HHBA O=C(N[C@@H](C(=O)N1CCCC1)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1 4957837 RTQRKUVSGBGEMT-SXYIGIQMSA-N 411.502 3.532 5 50 HHBA CSc1cc2c(cc1NC(=O)c1cc(-c3ccccc3[N+](=O)[O-])on1)OCCO2 1875261567 QEIMOVUOYQXUBJ-UHFFFAOYSA-N 413.411 3.995 5 50 HHBA O=C1[C@@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Cl)cc1 4727090 RMJNJNUYUHXAPW-HOCLYGCPSA-N 405.888 3.996 5 50 HHBA Cc1ccc[n+](-c2nc3ccccc3nc2N=[S@](=O)(O)c2cccc([N+](=O)[O-])c2)c1 334157878 WTXKUMBDADLUSG-UHFFFAOYSA-O 422.446 3.755 5 50 HHBA Cc1nn(CCCNC(=S)Nc2cccc([N+](=O)[O-])c2)c(C)c1Br 2852813 LVHTWRGAFHUOFC-UHFFFAOYSA-N 412.313 3.547 5 50 HHBA C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)CCC2 252441141 IDLJIYQNWQWRCQ-FYBXHKAZSA-N 415.554 3.740 5 50 HHBA biogenic C[C@@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 225653703 YVDHRELXRVNGPN-OAHLLOKOSA-N 401.422 3.940 5 50 HHBA CCCCCC[N@+]12[C@H]3C[C@@]45c6ccccc6N(C)[C@H]4[C@@H]1C[C@@H]([C@@H]3[C@@H]5O)[C@H](CC)[C@H]2O 252460275 DAECYOJSYCGTFP-RKZLFUMPSA-N 411.610 3.650 5 50 HHBA biogenic CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1053230 ZYUDMXQQWPXECF-UHFFFAOYSA-N 411.439 3.672 5 50 HHBA C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])NS(=O)(=O)c1ccc(Cl)cc1 4548786 AKLZHBAZSLFYQG-SNVBAGLBSA-N 404.275 3.681 5 50 HHBA Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)NC1CCCCC1 1196482 GFHPEVLTOKRVOJ-UHFFFAOYSA-N 417.487 3.767 5 50 HHBA CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cccc([N+](=O)[O-])c1 2847274 WYJYPUQUVHQLOR-UHFFFAOYSA-N 411.487 3.590 5 50 HHBA O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 17091040 ZNSXYHNSJYECDB-KGLIPLIRSA-N 417.443 3.738 5 50 HHBA COc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccc(I)cc1 1738311 OYCIJKPCWBDWRQ-UHFFFAOYSA-N 413.171 3.852 5 50 HHBA O=C(NC1CCCCC1)c1cc(C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 4693876 OCTFPNSDJJMTJL-UHFFFAOYSA-N 418.450 3.628 5 50 HHBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1cccc(C(F)(F)F)c1 1070349 UMIXQNCLPGKKQR-UHFFFAOYSA-N 407.146 3.520 5 50 HHBA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1083239 PDNDKFOWIFAYBX-XMMPIXPASA-N 416.433 3.645 5 50 HHBA O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(c1ccccc1)c1ccccc1 5059660 TWKZYGHNDSCERL-HXUWFJFHSA-N 404.422 3.539 5 50 HHBA COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 1173899 BDWXPHSDYQLAML-UHFFFAOYSA-N 403.398 3.898 5 50 HHBA CCCCNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc([N+](=O)[O-])cc1 3056133 KXPMSCTYDCYAII-AQTBWJFISA-N 401.850 3.935 5 50 HHBA O=C1CN(C(=O)Nc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)[C@@H]2CCCC[C@@H]2N1 473819810 SSNKIDIVZXBZLI-RBUKOAKNSA-N 410.430 3.662 5 50 HHBA Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 2851590 PMXFNSNUBYVKJB-UHFFFAOYSA-N 405.764 3.984 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 137606085 OBTZGXKXSUAATG-PCCBWWKXSA-N 415.405 3.646 5 50 HHBA CC(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4701615 ATRGTEYRZVODKP-UHFFFAOYSA-N 412.515 3.555 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1Cl 4820532 VLAQYBGKSVGFCO-UHFFFAOYSA-N 409.851 3.782 5 50 HHBA C[C@@H]1C=CC[C@H]2C(=O)N(c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)[C@@H]12 239046598 FTBGEBZVDYQPMO-ZNOIYHFQSA-N 406.394 3.516 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 226983776 LGWZTUBTNDZURN-PCCBWWKXSA-N 415.405 3.646 5 50 HHBA CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 4755847 OXTUJEPATNSKEH-UHFFFAOYSA-N 411.867 3.531 5 50 HHBA O=C(/C=C/c1ccccc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 1799341 XDQSPMXVFBYZEN-IZZDOVSWSA-N 415.452 3.536 5 50 HHBA COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc12 4148293 UEDBOLOODYHSCY-UHFFFAOYSA-N 404.400 3.545 5 50 HHBA O=C(Nc1ccccc1C(=O)Nc1ccc(CCO)cc1)c1ccc([N+](=O)[O-])cc1 86032128 LTWQQWSXYYXVGA-UHFFFAOYSA-N 405.410 3.634 5 50 HHBA in-vitro C[C@@H](Nc1nccc2ccc([N+](=O)[O-])cc12)c1cccc(S(=O)(=O)N(C)C)c1 1875323913 WKIWZFABZFDLOZ-CYBMUJFWSA-N 400.460 3.566 5 50 HHBA O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 1313745 KHGDQZLIPOMEBB-UHFFFAOYSA-N 408.322 3.941 5 50 HHBA CC1=C(C(=O)Nc2cccc(Cl)c2C)[C@H](c2cccc([N+](=O)[O-])c2)NC(=S)N1 1218704 YFZLQNJPSDAPQW-KRWDZBQOSA-N 416.890 3.988 5 50 HHBA O=C(CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 2330823 ZXWPCRVBYXKJOV-UHFFFAOYSA-N 408.769 3.532 5 50 HHBA CC(C)N1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O 245326896 MZVZMHPMTUOEQK-PGRDOPGGSA-N 422.441 3.642 5 50 HHBA O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCC(c2nnc3ccccn23)CC1 444824072 GBJFXPGLSHUNIN-UHFFFAOYSA-N 423.476 3.744 5 50 HHBA O=C(COc1ccccc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4810412 ZMPVECNGGXXUOQ-UHFFFAOYSA-N 410.257 3.629 5 50 HHBA O=C(Nc1ccc(Br)cn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4705253 MBEXEXDUFQJQCQ-UHFFFAOYSA-N 405.252 3.995 5 50 HHBA O=C1CCc2cc(OC[C@@H](O)CNc3ccnc4c3ccc3cccnc34)ccc2N1 2325875971 HJEJAPVNBQWBGT-KRWDZBQOSA-N 414.465 3.520 5 50 HHBA Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccccc1C(F)(F)F 1429839 RGELSEUMMGYQOQ-UHFFFAOYSA-N 407.146 3.520 5 50 HHBA O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1F 2983111 XAYGJRYJDTUZQW-UHFFFAOYSA-N 402.432 3.984 5 50 HHBA COc1ccc([C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc2)cc1 5059918 AKVVHTXQCVJFBV-OAQYLSRUSA-N 412.467 3.980 5 50 HHBA CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 1131179 QDEYZNPXDDYJFN-LLVKDONJSA-N 411.867 3.577 5 50 HHBA O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccccc1[N+](=O)[O-] 1165694 LYNWMKKYVHGYTF-XMMPIXPASA-N 416.433 3.645 5 50 HHBA O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 8816309 ORTGHJRIKUJFAK-UHFFFAOYSA-N 424.432 3.901 5 50 HHBA O=C(NCC(=O)N1CCCC[C@@H]1c1ccccc1)c1c(Cl)cccc1[N+](=O)[O-] 225602550 NXWOSZZTELITQS-MRXNPFEDSA-N 401.850 3.732 5 50 HHBA O=C(O)CCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1Cl 5061620 QLSSTRLHIWSFKI-QGZVFWFLSA-N 401.806 3.791 5 50 HHBA CCCCCCn1c(=O)c(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c2ccccc21 100331702 FEWIYSSZBYTYER-UHFFFAOYSA-N 416.459 3.904 5 50 HHBA Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 4695707 CBVQBLMKBZUNQX-UHFFFAOYSA-N 401.378 3.956 5 50 HHBA O=C(NCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Cl)c1 5063614 XDGOPORYJSDYOQ-UHFFFAOYSA-N 417.897 3.582 5 50 HHBA Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c1F 170614589 PGQMWVHPCKABFY-UHFFFAOYSA-N 413.236 3.707 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1083238 PDNDKFOWIFAYBX-DEOSSOPVSA-N 416.433 3.645 5 50 HHBA O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCC2)c1ccccc1[N+](=O)[O-] 1125151 XGHWHVUXBREHSN-UHFFFAOYSA-N 411.439 3.920 5 50 HHBA O=C(C[S@@](=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccc(Cl)cc1 4387511 QYOVKDKSKVPVHI-SANMLTNESA-N 407.753 3.980 5 50 HHBA O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4748241 AKKXFUYDCQVJTP-UHFFFAOYSA-N 410.474 3.674 5 50 HHBA O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccs2)C(=O)N1c1cccc([N+](=O)[O-])c1 170620710 DKUPHKMYSNNQSX-GBESFXJTSA-N 421.434 3.707 5 50 HHBA O=c1c2c(-c3ccccc3)csc2nc2c3ccccc3c(N3CCOCC3)nn12 632049 ZAMZYTWZMABEJN-UHFFFAOYSA-N 414.490 3.961 5 50 HHBA CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1sc(C(C)C)cc1C(N)=O 4750384 JGVUKBHHGXVLSI-AWEZNQCLSA-N 405.476 3.983 5 50 HHBA O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)C(c1ccccc1)c1ccccc1 5059658 TWKZYGHNDSCERL-FQEVSTJZSA-N 404.422 3.539 5 50 HHBA COc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 907737 VGUXHXLBEGGGGO-LJQANCHMSA-N 411.414 3.536 5 50 HHBA O=C(O)c1cccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 754577 OIFVNUXMDVXVHH-UHFFFAOYSA-N 404.334 3.886 5 50 HHBA O=C(c1ccc(Cl)cc1)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@]1(O)C(F)(F)F 1214630 FADUJUDQXRNFIF-INIZCTEOSA-N 413.739 3.749 5 50 HHBA COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c2ccccc12 4846137 CDAIDFSCJYESHA-UHFFFAOYSA-N 405.454 3.739 5 50 HHBA COc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)c1 6933372 ZCTMTKLCUVFVJQ-UHFFFAOYSA-N 404.810 3.964 5 50 HHBA CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)N1 853808 MNNWCTSDMAOOOM-OAHLLOKOSA-N 400.818 3.869 5 50 HHBA CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)cc1[N+](=O)[O-] 1174727 LGNIQKBRBDPNQU-UHFFFAOYSA-N 424.276 3.883 5 50 HHBA O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 52537466 VJEPNNJYMNRRSW-UHFFFAOYSA-N 409.273 3.662 5 50 HHBA C[C@@H]1CC[C@H]2C(=O)N(c3cccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c3)C(=O)[C@H]2C1 136266618 MXMQSSRBPPKJAF-ZNOIYHFQSA-N 408.410 3.740 5 50 HHBA O=C(c1ccc(Br)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 12857545 MYHBWEQWXBANRA-UHFFFAOYSA-N 414.643 3.566 5 50 HHBA O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1875363329 MJQGNVLRKKVJBQ-UHFFFAOYSA-N 418.475 3.804 5 50 HHBA COC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(=O)OC)c1 1170611 OQBSDYYGEQSJKM-UHFFFAOYSA-N 424.365 3.680 5 50 HHBA O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)o1 1612446 COKDYOPTGDZHOL-UHFFFAOYSA-N 404.726 3.850 5 50 HHBA CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)NC1=S 9295988 CDIWVJLLCWGESU-YBEGLDIGSA-N 417.874 3.905 5 50 HHBA O=[N+]([O-])c1ccc2nc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)sc2c1 170617441 LQRGOPUIUSESLJ-UHFFFAOYSA-N 415.399 3.649 5 50 HHBA C[C@H](NC(=O)Cn1c(=O)ccc2cc([N+](=O)[O-])ccc21)c1ccc2ccccc2c1 225653739 YVDHRELXRVNGPN-HNNXBMFYSA-N 401.422 3.940 5 50 HHBA Cn1cc(CN[C@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 237786957 QTRHISHZKFKJRT-IBGZPJMESA-N 409.465 3.893 5 50 HHBA CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9721085 VWWBAKXVBYJVPX-UHFFFAOYSA-N 423.391 3.975 5 50 HHBA C[C@@H]1CCCCN1c1cc(N2CCN(C(=O)c3ccco3)CC2)c([N+](=O)[O-])cc1F 4624317 BMTVAIXEUAXKMA-OAHLLOKOSA-N 416.453 3.668 5 50 HHBA COc1cc(OC)c(-c2c3cnn(C)c3nc3c2oc2cc(O)cc(O)c23)cc1OC 263585015 DFLYOGVPONFZGC-UHFFFAOYSA-N 421.409 3.972 5 50 HHBA biogenic CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 1168989 PLQXVJMVOHSPFM-KRWDZBQOSA-N 401.806 3.577 5 50 HHBA COc1cc2c(cc1OC)C1(CCCC1)CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 4964916 LPZFXWUAMOVUAH-FQEVSTJZSA-N 412.486 3.973 5 50 HHBA O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])cc1 1216558 NTPKBJQYPBERJW-PGMHBOJBSA-N 417.469 3.644 5 50 HHBA COC(=O)c1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 12649212 ZXQTYOSNPSSGGW-UHFFFAOYSA-N 424.457 3.756 5 50 HHBA C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)C12CC3CC(CC(C3)C1)C2 4810363 HSYDLNZSXVGHRJ-SCUMNGBJSA-N 413.518 3.766 5 50 HHBA O=[N+]([O-])c1ccc(C2=Nn3c(nnc3-c3cccc(Br)c3)SC2)cc1 4172008 RZILIBBZVTUKLO-UHFFFAOYSA-N 416.260 3.974 5 50 HHBA O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccc2c3c(cccc13)CC2 55149535 MHPNTYLCJHSMCH-UHFFFAOYSA-N 416.481 3.607 5 50 HHBA O=C(NC(=S)N(CCCCO)CCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 2879522 RGZQBLMSYDMMBO-UHFFFAOYSA-N 405.520 3.575 5 50 HHBA C[C@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)C[C@H](C)N1 4455676 JPFRBOZKXOCNQU-GJZGRUSLSA-N 404.898 3.926 5 50 HHBA COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 38262526 OPCOBADGNDINHZ-UHFFFAOYSA-N 412.467 3.995 5 50 HHBA O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1cccc([N+](=O)[O-])c1 1144644 IMQOSURYRDIJGC-DEOSSOPVSA-N 416.433 3.645 5 50 HHBA O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 4687949 OEWLJAONFRRPIS-UHFFFAOYSA-N 414.893 3.811 5 50 HHBA CO[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl)c1ccccc1 225835260 MQZPRWDQPBXLIA-CYBMUJFWSA-N 405.259 3.568 5 50 HHBA CC[C@H]1c2cc(Cl)cc(Cl)c2CCN1C[C@H](O)Cn1c([N+](=O)[O-])cnc1C 2325862340 QOYIHOPLKVEDFM-GUYCJALGSA-N 413.305 3.777 5 50 HHBA CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc([N+](=O)[O-])cc2c1OCOC2 170599731 RIMMFJNLNBAKMV-JVPBZIDWSA-N 418.490 3.936 5 50 HHBA COC(=O)c1ccc(-n2cc(OC(C)=O)c3c2nc(C)n2c4ccccc4nc32)cc1 195817328 SHVRHYYJDOZRLK-UHFFFAOYSA-N 414.421 3.847 5 50 HHBA COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ncn[nH]2)c2cccnc12 241969550 UXKWPDLCGJAKTF-UHFFFAOYSA-N 422.426 3.673 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 1158014 QNOGYNUQPXHPIG-QGZVFWFLSA-N 400.822 3.823 5 50 HHBA COc1ccc([N+](=O)[O-])cc1CSc1nnc(COc2ccccc2C)n1C 1143391 IRIHSIDOOSEACJ-UHFFFAOYSA-N 400.460 3.912 5 50 HHBA CCC(=O)Nc1nc(-c2ccc(C(=O)OC)cc2)nc2c1c(=O)oc1ccccc12 2877493 VEKXHQJJVXCGHS-UHFFFAOYSA-N 403.394 3.538 5 50 HHBA CCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)NC1=S 9295974 MBFQWXNRNPLUMB-YBEGLDIGSA-N 417.874 3.905 5 50 HHBA CCc1sc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1Br 5949901 XNWRQLIBHWLUQE-UHFFFAOYSA-N 424.320 3.944 5 50 HHBA O=C(O)[C@H]1CC(=O)N(c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1 2997748 ZSUTUZVRQXDVOV-JTQLQIEISA-N 410.304 3.843 5 50 HHBA COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C 8916700 AKBMNYVQPREPFD-UHFFFAOYSA-N 424.276 3.801 5 50 HHBA Cc1cccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3Br)CC2=O)c1 12462798 FZYFPCRJYHKACL-LBPRGKRZSA-N 418.247 3.657 5 50 HHBA CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 677494 HHSDIMUWWWBTHY-UHFFFAOYSA-N 404.444 3.973 5 50 HHBA O=C(O)C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OC2CCCC2)cc1 4698296 WYWNPPJDKVDBNU-HXUWFJFHSA-N 412.442 3.791 5 50 HHBA O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2/C=C2\SC(=S)N=C2O)cc1 15746222 TVWOUFYHNYUAJA-ZROIWOOFSA-N 422.465 3.692 5 50 HHBA CCOC(=O)c1c(NC(=O)c2c(C(=O)O)cccc2[N+](=O)[O-])sc2c1CCCC2 2208130 HLDYFGHUBUFZCT-UHFFFAOYSA-N 418.427 3.662 5 50 HHBA NC(=O)[C@@H]1CCCN(Cc2cccc(CNc3cc(Cl)ccc3[N+](=O)[O-])c2)C1 225820282 PVQVFWHBGHGOAX-MRXNPFEDSA-N 402.882 3.558 5 50 HHBA COC(=O)c1nn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C)c1[N+](=O)[O-] 253432526 KWVQCLYVPMOHSG-UHFFFAOYSA-N 402.451 3.772 5 50 HHBA COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 4290317 WOBVOOPLUNSGLV-UHFFFAOYSA-N 417.377 3.656 5 50 HHBA COc1ccc(/C=C(/NC(=O)c2ccco2)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5092627 BYWQMJUHCXEKOD-QGOAFFKASA-N 407.382 3.606 5 50 HHBA CC1=C(C(=O)Nc2ccc(C)c(Cl)c2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 1190842 BUZDOPPQOADKQF-KRWDZBQOSA-N 400.822 3.823 5 50 HHBA O=[N+]([O-])c1ccc(NCCNS(=O)(=O)c2ccc3ccccc3c2)c(Cl)c1 4108284 HPCRDHWAHANJGQ-UHFFFAOYSA-N 405.863 3.792 5 50 HHBA C[C@@H]1CN(c2ccc([N+](=O)[O-])c(NCCOc3ccc(Cl)cc3)c2)C[C@@H](C)N1 4455677 JPFRBOZKXOCNQU-HUUCEWRRSA-N 404.898 3.926 5 50 HHBA O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1 4543713 LYNAKTVZWNUCFR-UHFFFAOYSA-N 406.442 3.762 5 50 HHBA COCc1ccccc1CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 328593648 SIPQIXFCOIVEBN-UHFFFAOYSA-N 405.259 3.527 5 50 HHBA CCCCC(=O)Nc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 4688375 KIIVYMPPMLKPSM-UHFFFAOYSA-N 410.474 3.686 5 50 HHBA CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 882011 UKTLBGUNIOHLTH-UHFFFAOYSA-N 402.476 3.576 5 50 HHBA CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 4983404 FYXDQNJWQXPNJB-UHFFFAOYSA-N 406.442 3.859 5 50 HHBA COc1ccc(Br)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 55543425 ZCBCFHWBBIEQRO-UHFFFAOYSA-N 406.280 3.688 5 50 HHBA O=C1OCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1cccc(C(F)(F)F)c1 1429740 RDOJXINXNHTMPN-OAHLLOKOSA-N 418.327 3.945 5 50 HHBA CN(C)C(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(OCC(=O)O)ccc12 25763901 IBIKQEXCWKEQLF-UHFFFAOYSA-N 417.417 3.730 5 50 HHBA CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 5066628 FJVJXNJFZGWPCH-UHFFFAOYSA-N 406.442 3.859 5 50 HHBA O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)c1ccc([N+](=O)[O-])cc1 1506871 GEHKCVSXXHPWPL-UHFFFAOYSA-N 415.402 3.787 5 50 HHBA